diff --git a/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__bottle_tray.mtl b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__bottle_tray.mtl new file mode 100644 index 0000000000000000000000000000000000000000..ab79718020a135eea9c2e2d501b9e5517fccf521 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__bottle_tray.mtl @@ -0,0 +1,6 @@ +newmtl agilent_1290infinity__bottle_tray +Kd 0.5500 0.5900 0.6200 +Ka 0 0 0 +Ks 0.05 0.05 0.05 +Ns 20 +d 1 diff --git a/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__bottle_tray.obj b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__bottle_tray.obj new file mode 100644 index 0000000000000000000000000000000000000000..e8586dfb41d06c94832b7dde7f9defeb65bab182 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__bottle_tray.obj @@ -0,0 +1,72 @@ +mtllib agilent_1290infinity__bottle_tray.mtl +usemtl agilent_1290infinity__bottle_tray +# https://github.com/mikedh/trimesh +v -0.19800000 -0.20825000 0.86575000 +v -0.19800000 -0.20825000 0.87625000 +v -0.19800000 0.20825000 0.86575000 +v -0.19800000 0.20825000 0.87625000 +v 0.19800000 -0.20825000 0.86575000 +v 0.19800000 -0.20825000 0.87625000 +v 0.19800000 0.20825000 0.86575000 +v 0.19800000 0.20825000 0.87625000 +v -0.19625000 -0.21000000 0.86575000 +v -0.19625000 -0.21000000 0.87625000 +v -0.19625000 0.21000000 0.86575000 +v -0.19625000 0.21000000 0.87625000 +v 0.19625000 -0.21000000 0.86575000 +v 0.19625000 -0.21000000 0.87625000 +v 0.19625000 0.21000000 0.86575000 +v 0.19625000 0.21000000 0.87625000 +v -0.19625000 -0.20825000 0.86400000 +v -0.19625000 -0.20825000 0.87800000 +v -0.19625000 0.20825000 0.86400000 +v -0.19625000 0.20825000 0.87800000 +v 0.19625000 -0.20825000 0.86400000 +v 0.19625000 -0.20825000 0.87800000 +v 0.19625000 0.20825000 0.86400000 +v 0.19625000 0.20825000 0.87800000 +f 20 12 4 +f 1 17 9 +f 8 16 24 +f 19 3 11 +f 7 23 15 +f 18 2 10 +f 13 21 5 +f 14 6 22 +f 1 2 3 +f 3 2 4 +f 12 3 4 +f 11 3 12 +f 18 22 20 +f 20 22 24 +f 20 2 18 +f 4 2 20 +f 16 20 24 +f 12 20 16 +f 5 21 23 +f 23 7 5 +f 24 22 8 +f 22 6 8 +f 5 7 8 +f 8 6 5 +f 1 3 19 +f 19 17 1 +f 19 23 21 +f 19 21 17 +f 11 12 15 +f 12 16 15 +f 23 19 15 +f 15 19 11 +f 15 8 7 +f 16 8 15 +f 10 2 1 +f 1 9 10 +f 17 21 13 +f 13 9 17 +f 5 6 14 +f 14 13 5 +f 14 22 18 +f 18 10 14 +f 14 10 9 +f 9 13 14 + diff --git a/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__column_1.mtl b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__column_1.mtl new file mode 100644 index 0000000000000000000000000000000000000000..3fe4673a350743cfc748b3570c72cafd10bc2db1 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__column_1.mtl @@ -0,0 +1,6 @@ +newmtl agilent_1290infinity__column_1 +Kd 0.5500 0.5900 0.6200 +Ka 0 0 0 +Ks 0.05 0.05 0.05 +Ns 20 +d 1 diff --git a/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__column_1.obj b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__column_1.obj new file mode 100644 index 0000000000000000000000000000000000000000..b4e358856b59d1ff19fa9e0ee06a8ec379f9b7ca --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__column_1.obj @@ -0,0 +1,294 @@ +mtllib agilent_1290infinity__column_1.mtl +usemtl agilent_1290infinity__column_1 +# https://github.com/mikedh/trimesh +v -0.14500000 -0.17300000 0.55000000 +v -0.14500000 -0.17300000 0.54550000 +v -0.04500000 -0.17300000 0.54550000 +v -0.04500000 -0.17300000 0.55000000 +v -0.14500000 -0.17241263 0.54553850 +v -0.04500000 -0.17241263 0.54553850 +v -0.14500000 -0.17183531 0.54565333 +v -0.04500000 -0.17183531 0.54565333 +v -0.14500000 -0.17127792 0.54584254 +v -0.04500000 -0.17127792 0.54584254 +v -0.14500000 -0.17075000 0.54610289 +v -0.04500000 -0.17075000 0.54610289 +v -0.14500000 -0.17026057 0.54642991 +v -0.04500000 -0.17026057 0.54642991 +v -0.14500000 -0.16981802 0.54681802 +v -0.04500000 -0.16981802 0.54681802 +v -0.14500000 -0.16942991 0.54726057 +v -0.04500000 -0.16942991 0.54726057 +v -0.14500000 -0.16910289 0.54775000 +v -0.04500000 -0.16910289 0.54775000 +v -0.14500000 -0.16884254 0.54827792 +v -0.04500000 -0.16884254 0.54827792 +v -0.14500000 -0.16865333 0.54883531 +v -0.04500000 -0.16865333 0.54883531 +v -0.14500000 -0.16853850 0.54941263 +v -0.04500000 -0.16853850 0.54941263 +v -0.14500000 -0.16850000 0.55000000 +v -0.04500000 -0.16850000 0.55000000 +v -0.14500000 -0.16853850 0.55058737 +v -0.04500000 -0.16853850 0.55058737 +v -0.14500000 -0.16865333 0.55116469 +v -0.04500000 -0.16865333 0.55116469 +v -0.14500000 -0.16884254 0.55172208 +v -0.04500000 -0.16884254 0.55172208 +v -0.14500000 -0.16910289 0.55225000 +v -0.04500000 -0.16910289 0.55225000 +v -0.14500000 -0.16942991 0.55273943 +v -0.04500000 -0.16942991 0.55273943 +v -0.14500000 -0.16981802 0.55318198 +v -0.04500000 -0.16981802 0.55318198 +v -0.14500000 -0.17026057 0.55357009 +v -0.04500000 -0.17026057 0.55357009 +v -0.14500000 -0.17075000 0.55389711 +v -0.04500000 -0.17075000 0.55389711 +v -0.14500000 -0.17127792 0.55415746 +v -0.04500000 -0.17127792 0.55415746 +v -0.14500000 -0.17183531 0.55434667 +v -0.04500000 -0.17183531 0.55434667 +v -0.14500000 -0.17241263 0.55446150 +v -0.04500000 -0.17241263 0.55446150 +v -0.14500000 -0.17300000 0.55450000 +v -0.04500000 -0.17300000 0.55450000 +v -0.14500000 -0.17358737 0.55446150 +v -0.04500000 -0.17358737 0.55446150 +v -0.14500000 -0.17416469 0.55434667 +v -0.04500000 -0.17416469 0.55434667 +v -0.14500000 -0.17472208 0.55415746 +v 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-0.17689711 0.54775000 +v -0.14500000 -0.17657009 0.54726057 +v -0.04500000 -0.17657009 0.54726057 +v -0.14500000 -0.17618198 0.54681802 +v -0.04500000 -0.17618198 0.54681802 +v -0.14500000 -0.17573943 0.54642991 +v -0.04500000 -0.17573943 0.54642991 +v -0.14500000 -0.17525000 0.54610289 +v -0.04500000 -0.17525000 0.54610289 +v -0.14500000 -0.17472208 0.54584254 +v -0.04500000 -0.17472208 0.54584254 +v -0.14500000 -0.17416469 0.54565333 +v -0.04500000 -0.17416469 0.54565333 +v -0.14500000 -0.17358737 0.54553850 +v -0.04500000 -0.17358737 0.54553850 +f 2 1 5 +f 2 5 3 +f 3 5 6 +f 3 6 4 +f 5 1 7 +f 5 7 6 +f 6 7 8 +f 6 8 4 +f 7 1 9 +f 7 9 8 +f 8 9 10 +f 8 10 4 +f 9 1 11 +f 9 11 10 +f 10 11 12 +f 10 12 4 +f 11 1 13 +f 11 13 12 +f 12 13 14 +f 12 14 4 +f 13 1 15 +f 13 15 14 +f 14 15 16 +f 14 16 4 +f 15 1 17 +f 15 17 16 +f 16 17 18 +f 16 18 4 +f 17 1 19 +f 17 19 18 +f 18 19 20 +f 18 20 4 +f 19 1 21 +f 19 21 20 +f 20 21 22 +f 20 22 4 +f 21 1 23 +f 21 23 22 +f 22 23 24 +f 22 24 4 +f 23 1 25 +f 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0000000000000000000000000000000000000000..f3581fdca7d1139b1bf674b90d9e2ee6f06b07fe --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__column_2.mtl @@ -0,0 +1,6 @@ +newmtl agilent_1290infinity__column_2 +Kd 0.5500 0.5900 0.6200 +Ka 0 0 0 +Ks 0.05 0.05 0.05 +Ns 20 +d 1 diff --git a/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__column_2.obj b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__column_2.obj new file mode 100644 index 0000000000000000000000000000000000000000..9a93897e6fde7c0339a2321dfb39c7db07f367f8 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__column_2.obj @@ -0,0 +1,294 @@ +mtllib agilent_1290infinity__column_2.mtl +usemtl agilent_1290infinity__column_2 +# https://github.com/mikedh/trimesh +v -0.14500000 -0.17300000 0.57600000 +v -0.14500000 -0.17300000 0.57150000 +v -0.04500000 -0.17300000 0.57150000 +v -0.04500000 -0.17300000 0.57600000 +v -0.14500000 -0.17241263 0.57153850 +v -0.04500000 -0.17241263 0.57153850 +v -0.14500000 -0.17183531 0.57165333 +v -0.04500000 -0.17183531 0.57165333 +v -0.14500000 -0.17127792 0.57184254 +v -0.04500000 -0.17127792 0.57184254 +v -0.14500000 -0.17075000 0.57210289 +v -0.04500000 -0.17075000 0.57210289 +v -0.14500000 -0.17026057 0.57242991 +v -0.04500000 -0.17026057 0.57242991 +v -0.14500000 -0.16981802 0.57281802 +v -0.04500000 -0.16981802 0.57281802 +v -0.14500000 -0.16942991 0.57326057 +v -0.04500000 -0.16942991 0.57326057 +v -0.14500000 -0.16910289 0.57375000 +v -0.04500000 -0.16910289 0.57375000 +v -0.14500000 -0.16884254 0.57427792 +v -0.04500000 -0.16884254 0.57427792 +v -0.14500000 -0.16865333 0.57483531 +v -0.04500000 -0.16865333 0.57483531 +v -0.14500000 -0.16853850 0.57541263 +v -0.04500000 -0.16853850 0.57541263 +v -0.14500000 -0.16850000 0.57600000 +v -0.04500000 -0.16850000 0.57600000 +v -0.14500000 -0.16853850 0.57658737 +v -0.04500000 -0.16853850 0.57658737 +v -0.14500000 -0.16865333 0.57716469 +v -0.04500000 -0.16865333 0.57716469 +v -0.14500000 -0.16884254 0.57772208 +v -0.04500000 -0.16884254 0.57772208 +v -0.14500000 -0.16910289 0.57825000 +v -0.04500000 -0.16910289 0.57825000 +v -0.14500000 -0.16942991 0.57873943 +v -0.04500000 -0.16942991 0.57873943 +v -0.14500000 -0.16981802 0.57918198 +v -0.04500000 -0.16981802 0.57918198 +v -0.14500000 -0.17026057 0.57957009 +v -0.04500000 -0.17026057 0.57957009 +v -0.14500000 -0.17075000 0.57989711 +v -0.04500000 -0.17075000 0.57989711 +v -0.14500000 -0.17127792 0.58015746 +v -0.04500000 -0.17127792 0.58015746 +v -0.14500000 -0.17183531 0.58034667 +v -0.04500000 -0.17183531 0.58034667 +v -0.14500000 -0.17241263 0.58046150 +v -0.04500000 -0.17241263 0.58046150 +v -0.14500000 -0.17300000 0.58050000 +v -0.04500000 -0.17300000 0.58050000 +v -0.14500000 -0.17358737 0.58046150 +v -0.04500000 -0.17358737 0.58046150 +v -0.14500000 -0.17416469 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+v -0.04500000 -0.17715746 0.57427792 +v -0.14500000 -0.17689711 0.57375000 +v -0.04500000 -0.17689711 0.57375000 +v -0.14500000 -0.17657009 0.57326057 +v -0.04500000 -0.17657009 0.57326057 +v -0.14500000 -0.17618198 0.57281802 +v -0.04500000 -0.17618198 0.57281802 +v -0.14500000 -0.17573943 0.57242991 +v -0.04500000 -0.17573943 0.57242991 +v -0.14500000 -0.17525000 0.57210289 +v -0.04500000 -0.17525000 0.57210289 +v -0.14500000 -0.17472208 0.57184254 +v -0.04500000 -0.17472208 0.57184254 +v -0.14500000 -0.17416469 0.57165333 +v -0.04500000 -0.17416469 0.57165333 +v -0.14500000 -0.17358737 0.57153850 +v -0.04500000 -0.17358737 0.57153850 +f 2 1 5 +f 2 5 3 +f 3 5 6 +f 3 6 4 +f 5 1 7 +f 5 7 6 +f 6 7 8 +f 6 8 4 +f 7 1 9 +f 7 9 8 +f 8 9 10 +f 8 10 4 +f 9 1 11 +f 9 11 10 +f 10 11 12 +f 10 12 4 +f 11 1 13 +f 11 13 12 +f 12 13 14 +f 12 14 4 +f 13 1 15 +f 13 15 14 +f 14 15 16 +f 14 16 4 +f 15 1 17 +f 15 17 16 +f 16 17 18 +f 16 18 4 +f 17 1 19 +f 17 19 18 +f 18 19 20 +f 18 20 4 +f 19 1 21 +f 19 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b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__column_3.mtl new file mode 100644 index 0000000000000000000000000000000000000000..224b2deeb351112a7885413af5b2a498b672947a --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__column_3.mtl @@ -0,0 +1,6 @@ +newmtl agilent_1290infinity__column_3 +Kd 0.5500 0.5900 0.6200 +Ka 0 0 0 +Ks 0.05 0.05 0.05 +Ns 20 +d 1 diff --git a/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__column_3.obj b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__column_3.obj new file mode 100644 index 0000000000000000000000000000000000000000..f67045770d2e03a66ce8f09675739fe7f00f4139 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__column_3.obj @@ -0,0 +1,294 @@ +mtllib agilent_1290infinity__column_3.mtl +usemtl agilent_1290infinity__column_3 +# https://github.com/mikedh/trimesh +v -0.14500000 -0.17300000 0.60200000 +v -0.14500000 -0.17300000 0.59750000 +v -0.04500000 -0.17300000 0.59750000 +v -0.04500000 -0.17300000 0.60200000 +v -0.14500000 -0.17241263 0.59753850 +v -0.04500000 -0.17241263 0.59753850 +v -0.14500000 -0.17183531 0.59765333 +v -0.04500000 -0.17183531 0.59765333 +v -0.14500000 -0.17127792 0.59784254 +v -0.04500000 -0.17127792 0.59784254 +v -0.14500000 -0.17075000 0.59810289 +v -0.04500000 -0.17075000 0.59810289 +v -0.14500000 -0.17026057 0.59842991 +v -0.04500000 -0.17026057 0.59842991 +v -0.14500000 -0.16981802 0.59881802 +v -0.04500000 -0.16981802 0.59881802 +v -0.14500000 -0.16942991 0.59926057 +v -0.04500000 -0.16942991 0.59926057 +v -0.14500000 -0.16910289 0.59975000 +v -0.04500000 -0.16910289 0.59975000 +v -0.14500000 -0.16884254 0.60027792 +v -0.04500000 -0.16884254 0.60027792 +v -0.14500000 -0.16865333 0.60083531 +v -0.04500000 -0.16865333 0.60083531 +v -0.14500000 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+v -0.04500000 -0.17746150 0.60141263 +v -0.14500000 -0.17734667 0.60083531 +v -0.04500000 -0.17734667 0.60083531 +v -0.14500000 -0.17715746 0.60027792 +v -0.04500000 -0.17715746 0.60027792 +v -0.14500000 -0.17689711 0.59975000 +v -0.04500000 -0.17689711 0.59975000 +v -0.14500000 -0.17657009 0.59926057 +v -0.04500000 -0.17657009 0.59926057 +v -0.14500000 -0.17618198 0.59881802 +v -0.04500000 -0.17618198 0.59881802 +v -0.14500000 -0.17573943 0.59842991 +v -0.04500000 -0.17573943 0.59842991 +v -0.14500000 -0.17525000 0.59810289 +v -0.04500000 -0.17525000 0.59810289 +v -0.14500000 -0.17472208 0.59784254 +v -0.04500000 -0.17472208 0.59784254 +v -0.14500000 -0.17416469 0.59765333 +v -0.04500000 -0.17416469 0.59765333 +v -0.14500000 -0.17358737 0.59753850 +v -0.04500000 -0.17358737 0.59753850 +f 2 1 5 +f 2 5 3 +f 3 5 6 +f 3 6 4 +f 5 1 7 +f 5 7 6 +f 6 7 8 +f 6 8 4 +f 7 1 9 +f 7 9 8 +f 8 9 10 +f 8 10 4 +f 9 1 11 +f 9 11 10 +f 10 11 12 +f 10 12 4 +f 11 1 13 +f 11 13 12 +f 12 13 14 +f 12 14 4 +f 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a/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__column_4.mtl b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__column_4.mtl new file mode 100644 index 0000000000000000000000000000000000000000..1bc470ccf27832f9f39d2e08663c4beedd695aad --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__column_4.mtl @@ -0,0 +1,6 @@ +newmtl agilent_1290infinity__column_4 +Kd 0.5500 0.5900 0.6200 +Ka 0 0 0 +Ks 0.05 0.05 0.05 +Ns 20 +d 1 diff --git a/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__column_4.obj b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__column_4.obj new file mode 100644 index 0000000000000000000000000000000000000000..1b5f7861f76649c578b0a50ced5d54483cd8f0c2 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__column_4.obj @@ -0,0 +1,294 @@ +mtllib agilent_1290infinity__column_4.mtl +usemtl agilent_1290infinity__column_4 +# https://github.com/mikedh/trimesh +v -0.14500000 -0.17300000 0.62800000 +v -0.14500000 -0.17300000 0.62350000 +v -0.04500000 -0.17300000 0.62350000 +v -0.04500000 -0.17300000 0.62800000 +v -0.14500000 -0.17241263 0.62353850 +v -0.04500000 -0.17241263 0.62353850 +v -0.14500000 -0.17183531 0.62365333 +v -0.04500000 -0.17183531 0.62365333 +v -0.14500000 -0.17127792 0.62384254 +v -0.04500000 -0.17127792 0.62384254 +v -0.14500000 -0.17075000 0.62410289 +v -0.04500000 -0.17075000 0.62410289 +v -0.14500000 -0.17026057 0.62442991 +v -0.04500000 -0.17026057 0.62442991 +v -0.14500000 -0.16981802 0.62481802 +v -0.04500000 -0.16981802 0.62481802 +v -0.14500000 -0.16942991 0.62526057 +v -0.04500000 -0.16942991 0.62526057 +v -0.14500000 -0.16910289 0.62575000 +v -0.04500000 -0.16910289 0.62575000 +v -0.14500000 -0.16884254 0.62627792 +v -0.04500000 -0.16884254 0.62627792 +v -0.14500000 -0.16865333 0.62683531 +v -0.04500000 -0.16865333 0.62683531 +v -0.14500000 -0.16853850 0.62741263 +v -0.04500000 -0.16853850 0.62741263 +v -0.14500000 -0.16850000 0.62800000 +v -0.04500000 -0.16850000 0.62800000 +v -0.14500000 -0.16853850 0.62858737 +v -0.04500000 -0.16853850 0.62858737 +v -0.14500000 -0.16865333 0.62916469 +v -0.04500000 -0.16865333 0.62916469 +v -0.14500000 -0.16884254 0.62972208 +v -0.04500000 -0.16884254 0.62972208 +v -0.14500000 -0.16910289 0.63025000 +v -0.04500000 -0.16910289 0.63025000 +v -0.14500000 -0.16942991 0.63073943 +v -0.04500000 -0.16942991 0.63073943 +v -0.14500000 -0.16981802 0.63118198 +v -0.04500000 -0.16981802 0.63118198 +v -0.14500000 -0.17026057 0.63157009 +v -0.04500000 -0.17026057 0.63157009 +v -0.14500000 -0.17075000 0.63189711 +v -0.04500000 -0.17075000 0.63189711 +v -0.14500000 -0.17127792 0.63215746 +v -0.04500000 -0.17127792 0.63215746 +v 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0000000000000000000000000000000000000000..d960fd006a7a92e9d1c84943d06a36b68a5821de --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__column_5.obj @@ -0,0 +1,294 @@ +mtllib agilent_1290infinity__column_5.mtl +usemtl agilent_1290infinity__column_5 +# https://github.com/mikedh/trimesh +v 0.04500000 -0.17300000 0.55000000 +v 0.04500000 -0.17300000 0.54550000 +v 0.14500000 -0.17300000 0.54550000 +v 0.14500000 -0.17300000 0.55000000 +v 0.04500000 -0.17241263 0.54553850 +v 0.14500000 -0.17241263 0.54553850 +v 0.04500000 -0.17183531 0.54565333 +v 0.14500000 -0.17183531 0.54565333 +v 0.04500000 -0.17127792 0.54584254 +v 0.14500000 -0.17127792 0.54584254 +v 0.04500000 -0.17075000 0.54610289 +v 0.14500000 -0.17075000 0.54610289 +v 0.04500000 -0.17026057 0.54642991 +v 0.14500000 -0.17026057 0.54642991 +v 0.04500000 -0.16981802 0.54681802 +v 0.14500000 -0.16981802 0.54681802 +v 0.04500000 -0.16942991 0.54726057 +v 0.14500000 -0.16942991 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0000000000000000000000000000000000000000..f3d96fbc1b9724ec7c975c718685bb4dffde5c85 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__column_6.obj @@ -0,0 +1,294 @@ +mtllib agilent_1290infinity__column_6.mtl +usemtl agilent_1290infinity__column_6 +# https://github.com/mikedh/trimesh +v 0.04500000 -0.17300000 0.57600000 +v 0.04500000 -0.17300000 0.57150000 +v 0.14500000 -0.17300000 0.57150000 +v 0.14500000 -0.17300000 0.57600000 +v 0.04500000 -0.17241263 0.57153850 +v 0.14500000 -0.17241263 0.57153850 +v 0.04500000 -0.17183531 0.57165333 +v 0.14500000 -0.17183531 0.57165333 +v 0.04500000 -0.17127792 0.57184254 +v 0.14500000 -0.17127792 0.57184254 +v 0.04500000 -0.17075000 0.57210289 +v 0.14500000 -0.17075000 0.57210289 +v 0.04500000 -0.17026057 0.57242991 +v 0.14500000 -0.17026057 0.57242991 +v 0.04500000 -0.16981802 0.57281802 +v 0.14500000 -0.16981802 0.57281802 +v 0.04500000 -0.16942991 0.57326057 +v 0.14500000 -0.16942991 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0000000000000000000000000000000000000000..0d025ed5e0a688bdc0e80fdf2cedb8428ecd549a --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__column_7.obj @@ -0,0 +1,294 @@ +mtllib agilent_1290infinity__column_7.mtl +usemtl agilent_1290infinity__column_7 +# https://github.com/mikedh/trimesh +v 0.04500000 -0.17300000 0.60200000 +v 0.04500000 -0.17300000 0.59750000 +v 0.14500000 -0.17300000 0.59750000 +v 0.14500000 -0.17300000 0.60200000 +v 0.04500000 -0.17241263 0.59753850 +v 0.14500000 -0.17241263 0.59753850 +v 0.04500000 -0.17183531 0.59765333 +v 0.14500000 -0.17183531 0.59765333 +v 0.04500000 -0.17127792 0.59784254 +v 0.14500000 -0.17127792 0.59784254 +v 0.04500000 -0.17075000 0.59810289 +v 0.14500000 -0.17075000 0.59810289 +v 0.04500000 -0.17026057 0.59842991 +v 0.14500000 -0.17026057 0.59842991 +v 0.04500000 -0.16981802 0.59881802 +v 0.14500000 -0.16981802 0.59881802 +v 0.04500000 -0.16942991 0.59926057 +v 0.14500000 -0.16942991 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+f 49 1 51 +f 49 51 50 +f 50 51 52 +f 50 52 4 +f 51 1 53 +f 51 53 52 +f 52 53 54 +f 52 54 4 +f 53 1 55 +f 53 55 54 +f 54 55 56 +f 54 56 4 +f 55 1 57 +f 55 57 56 +f 56 57 58 +f 56 58 4 +f 57 1 59 +f 57 59 58 +f 58 59 60 +f 58 60 4 +f 59 1 61 +f 59 61 60 +f 60 61 62 +f 60 62 4 +f 61 1 63 +f 61 63 62 +f 62 63 64 +f 62 64 4 +f 63 1 65 +f 63 65 64 +f 64 65 66 +f 64 66 4 +f 65 1 67 +f 65 67 66 +f 66 67 68 +f 66 68 4 +f 67 1 69 +f 67 69 68 +f 68 69 70 +f 68 70 4 +f 69 1 71 +f 69 71 70 +f 70 71 72 +f 70 72 4 +f 71 1 73 +f 71 73 72 +f 72 73 74 +f 72 74 4 +f 73 1 75 +f 73 75 74 +f 74 75 76 +f 74 76 4 +f 75 1 77 +f 75 77 76 +f 76 77 78 +f 76 78 4 +f 77 1 79 +f 77 79 78 +f 78 79 80 +f 78 80 4 +f 79 1 81 +f 79 81 80 +f 80 81 82 +f 80 82 4 +f 81 1 83 +f 81 83 82 +f 82 83 84 +f 82 84 4 +f 83 1 85 +f 83 85 84 +f 84 85 86 +f 84 86 4 +f 85 1 87 +f 85 87 86 +f 86 87 88 +f 86 88 4 +f 87 1 89 +f 87 89 88 +f 88 89 90 +f 88 90 4 +f 89 1 91 +f 89 91 90 +f 90 91 92 +f 90 92 4 +f 91 1 93 +f 91 93 92 +f 92 93 94 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0000000000000000000000000000000000000000..1d60789153263547375a3604d2c93c8b9af7d610 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__column_8.obj @@ -0,0 +1,294 @@ +mtllib agilent_1290infinity__column_8.mtl +usemtl agilent_1290infinity__column_8 +# https://github.com/mikedh/trimesh +v 0.04500000 -0.17300000 0.62800000 +v 0.04500000 -0.17300000 0.62350000 +v 0.14500000 -0.17300000 0.62350000 +v 0.14500000 -0.17300000 0.62800000 +v 0.04500000 -0.17241263 0.62353850 +v 0.14500000 -0.17241263 0.62353850 +v 0.04500000 -0.17183531 0.62365333 +v 0.14500000 -0.17183531 0.62365333 +v 0.04500000 -0.17127792 0.62384254 +v 0.14500000 -0.17127792 0.62384254 +v 0.04500000 -0.17075000 0.62410289 +v 0.14500000 -0.17075000 0.62410289 +v 0.04500000 -0.17026057 0.62442991 +v 0.14500000 -0.17026057 0.62442991 +v 0.04500000 -0.16981802 0.62481802 +v 0.14500000 -0.16981802 0.62481802 +v 0.04500000 -0.16942991 0.62526057 +v 0.14500000 -0.16942991 0.62526057 +v 0.04500000 -0.16910289 0.62575000 +v 0.14500000 -0.16910289 0.62575000 +v 0.04500000 -0.16884254 0.62627792 +v 0.14500000 -0.16884254 0.62627792 +v 0.04500000 -0.16865333 0.62683531 +v 0.14500000 -0.16865333 0.62683531 +v 0.04500000 -0.16853850 0.62741263 +v 0.14500000 -0.16853850 0.62741263 +v 0.04500000 -0.16850000 0.62800000 +v 0.14500000 -0.16850000 0.62800000 +v 0.04500000 -0.16853850 0.62858737 +v 0.14500000 -0.16853850 0.62858737 +v 0.04500000 -0.16865333 0.62916469 +v 0.14500000 -0.16865333 0.62916469 +v 0.04500000 -0.16884254 0.62972208 +v 0.14500000 -0.16884254 0.62972208 +v 0.04500000 -0.16910289 0.63025000 +v 0.14500000 -0.16910289 0.63025000 +v 0.04500000 -0.16942991 0.63073943 +v 0.14500000 -0.16942991 0.63073943 +v 0.04500000 -0.16981802 0.63118198 +v 0.14500000 -0.16981802 0.63118198 +v 0.04500000 -0.17026057 0.63157009 +v 0.14500000 -0.17026057 0.63157009 +v 0.04500000 -0.17075000 0.63189711 +v 0.14500000 -0.17075000 0.63189711 +v 0.04500000 -0.17127792 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0.62916469 +v 0.04500000 -0.17746150 0.62858737 +v 0.14500000 -0.17746150 0.62858737 +v 0.04500000 -0.17750000 0.62800000 +v 0.14500000 -0.17750000 0.62800000 +v 0.04500000 -0.17746150 0.62741263 +v 0.14500000 -0.17746150 0.62741263 +v 0.04500000 -0.17734667 0.62683531 +v 0.14500000 -0.17734667 0.62683531 +v 0.04500000 -0.17715746 0.62627792 +v 0.14500000 -0.17715746 0.62627792 +v 0.04500000 -0.17689711 0.62575000 +v 0.14500000 -0.17689711 0.62575000 +v 0.04500000 -0.17657009 0.62526057 +v 0.14500000 -0.17657009 0.62526057 +v 0.04500000 -0.17618198 0.62481802 +v 0.14500000 -0.17618198 0.62481802 +v 0.04500000 -0.17573943 0.62442991 +v 0.14500000 -0.17573943 0.62442991 +v 0.04500000 -0.17525000 0.62410289 +v 0.14500000 -0.17525000 0.62410289 +v 0.04500000 -0.17472208 0.62384254 +v 0.14500000 -0.17472208 0.62384254 +v 0.04500000 -0.17416469 0.62365333 +v 0.14500000 -0.17416469 0.62365333 +v 0.04500000 -0.17358737 0.62353850 +v 0.14500000 -0.17358737 0.62353850 +f 2 1 5 +f 2 5 3 +f 3 5 6 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+f 92 94 4 +f 93 1 95 +f 93 95 94 +f 94 95 96 +f 94 96 4 +f 95 1 97 +f 95 97 96 +f 96 97 98 +f 96 98 4 +f 97 1 2 +f 97 2 98 +f 98 2 3 +f 98 3 4 + diff --git a/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__column_bay.mtl b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__column_bay.mtl new file mode 100644 index 0000000000000000000000000000000000000000..b2b2607bfee4d83d35c6c66286691ec6e54145c5 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__column_bay.mtl @@ -0,0 +1,6 @@ +newmtl agilent_1290infinity__column_bay +Kd 0.5500 0.5900 0.6200 +Ka 0 0 0 +Ks 0.05 0.05 0.05 +Ns 20 +d 1 diff --git a/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__column_bay.obj b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__column_bay.obj new file mode 100644 index 0000000000000000000000000000000000000000..b6d4b27542581a4ac38c0554a11d2f20f0689424 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__column_bay.obj @@ -0,0 +1,72 @@ +mtllib agilent_1290infinity__column_bay.mtl +usemtl agilent_1290infinity__column_bay +# https://github.com/mikedh/trimesh +v -0.20250000 -0.12225000 0.53325000 +v -0.20250000 -0.12225000 0.64875000 +v -0.20250000 -0.11175000 0.53325000 +v -0.20250000 -0.11175000 0.64875000 +v 0.20250000 -0.12225000 0.53325000 +v 0.20250000 -0.12225000 0.64875000 +v 0.20250000 -0.11175000 0.53325000 +v 0.20250000 -0.11175000 0.64875000 +v -0.20075000 -0.12400000 0.53325000 +v -0.20075000 -0.12400000 0.64875000 +v -0.20075000 -0.11000000 0.53325000 +v -0.20075000 -0.11000000 0.64875000 +v 0.20075000 -0.12400000 0.53325000 +v 0.20075000 -0.12400000 0.64875000 +v 0.20075000 -0.11000000 0.53325000 +v 0.20075000 -0.11000000 0.64875000 +v -0.20075000 -0.12225000 0.53150000 +v -0.20075000 -0.12225000 0.65050000 +v -0.20075000 -0.11175000 0.53150000 +v -0.20075000 -0.11175000 0.65050000 +v 0.20075000 -0.12225000 0.53150000 +v 0.20075000 -0.12225000 0.65050000 +v 0.20075000 -0.11175000 0.53150000 +v 0.20075000 -0.11175000 0.65050000 +f 1 17 9 +f 20 12 4 +f 7 23 15 +f 19 3 11 +f 24 8 16 +f 14 6 22 +f 18 2 10 +f 13 21 5 +f 1 2 3 +f 3 2 4 +f 16 15 12 +f 12 15 11 +f 12 3 4 +f 11 3 12 +f 4 2 20 +f 20 2 18 +f 7 21 23 +f 5 21 7 +f 7 15 16 +f 16 8 7 +f 11 15 19 +f 15 23 19 +f 23 21 19 +f 19 21 17 +f 1 3 19 +f 19 17 1 +f 5 7 6 +f 6 7 8 +f 24 6 8 +f 22 6 24 +f 16 12 24 +f 12 20 24 +f 24 20 18 +f 18 22 24 +f 10 2 1 +f 1 9 10 +f 10 22 18 +f 10 14 22 +f 5 6 13 +f 6 14 13 +f 17 21 13 +f 13 9 17 +f 13 10 9 +f 14 10 13 + diff --git a/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__column_bottom.mtl b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__column_bottom.mtl new file mode 100644 index 0000000000000000000000000000000000000000..561287fa889a08627e03e98db3548bab9bc0cc93 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__column_bottom.mtl @@ -0,0 +1,6 @@ +newmtl agilent_1290infinity__column_bottom +Kd 0.1400 0.1700 0.2000 +Ka 0 0 0 +Ks 0.05 0.05 0.05 +Ns 20 +d 1 diff --git a/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__column_bottom.obj b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__column_bottom.obj new file mode 100644 index 0000000000000000000000000000000000000000..20b0e04a5ffbbeb5108df8b378fe06ed499574e1 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__column_bottom.obj @@ -0,0 +1,72 @@ +mtllib agilent_1290infinity__column_bottom.mtl +usemtl agilent_1290infinity__column_bottom +# https://github.com/mikedh/trimesh +v -0.21000000 -0.20775000 0.52625000 +v -0.21000000 -0.20775000 0.53375000 +v -0.21000000 0.21375000 0.52625000 +v -0.21000000 0.21375000 0.53375000 +v 0.21000000 -0.20775000 0.52625000 +v 0.21000000 -0.20775000 0.53375000 +v 0.21000000 0.21375000 0.52625000 +v 0.21000000 0.21375000 0.53375000 +v -0.20875000 -0.20900000 0.52625000 +v -0.20875000 -0.20900000 0.53375000 +v -0.20875000 0.21500000 0.52625000 +v -0.20875000 0.21500000 0.53375000 +v 0.20875000 -0.20900000 0.52625000 +v 0.20875000 -0.20900000 0.53375000 +v 0.20875000 0.21500000 0.52625000 +v 0.20875000 0.21500000 0.53375000 +v -0.20875000 -0.20775000 0.52500000 +v -0.20875000 -0.20775000 0.53500000 +v -0.20875000 0.21375000 0.52500000 +v -0.20875000 0.21375000 0.53500000 +v 0.20875000 -0.20775000 0.52500000 +v 0.20875000 -0.20775000 0.53500000 +v 0.20875000 0.21375000 0.52500000 +v 0.20875000 0.21375000 0.53500000 +f 20 12 4 +f 1 17 9 +f 8 16 24 +f 19 3 11 +f 7 23 15 +f 18 2 10 +f 13 21 5 +f 14 6 22 +f 1 2 3 +f 3 2 4 +f 12 3 4 +f 11 3 12 +f 18 22 20 +f 20 22 24 +f 20 2 18 +f 4 2 20 +f 16 20 24 +f 12 20 16 +f 5 21 23 +f 23 7 5 +f 24 22 8 +f 22 6 8 +f 5 7 8 +f 8 6 5 +f 1 3 19 +f 19 17 1 +f 19 23 21 +f 19 21 17 +f 11 12 15 +f 12 16 15 +f 23 19 15 +f 15 19 11 +f 15 8 7 +f 16 8 15 +f 10 2 1 +f 1 9 10 +f 17 21 13 +f 13 9 17 +f 5 6 14 +f 14 13 5 +f 14 22 18 +f 18 10 14 +f 14 10 9 +f 9 13 14 + diff --git a/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__column_can_port.mtl b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__column_can_port.mtl new file mode 100644 index 0000000000000000000000000000000000000000..043688cf9eb757497d64fed20ec653ed18a5914b --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__column_can_port.mtl @@ -0,0 +1,6 @@ +newmtl agilent_1290infinity__column_can_port +Kd 0.0350 0.0470 0.0590 +Ka 0 0 0 +Ks 0.05 0.05 0.05 +Ns 20 +d 1 diff --git a/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__column_can_port.obj b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__column_can_port.obj new file mode 100644 index 0000000000000000000000000000000000000000..f067cd2e621e2f02c9c26f6dd9e9ec28a20f5560 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__column_can_port.obj @@ -0,0 +1,72 @@ +mtllib agilent_1290infinity__column_can_port.mtl +usemtl agilent_1290infinity__column_can_port +# https://github.com/mikedh/trimesh +v -0.12200000 0.21750000 0.54700000 +v -0.12200000 0.21750000 0.56100000 +v -0.12200000 0.22050000 0.54700000 +v -0.12200000 0.22050000 0.56100000 +v -0.10800000 0.21750000 0.54700000 +v -0.10800000 0.21750000 0.56100000 +v -0.10800000 0.22050000 0.54700000 +v -0.10800000 0.22050000 0.56100000 +v -0.12150000 0.21700000 0.54700000 +v -0.12150000 0.21700000 0.56100000 +v -0.12150000 0.22100000 0.54700000 +v -0.12150000 0.22100000 0.56100000 +v -0.10850000 0.21700000 0.54700000 +v -0.10850000 0.21700000 0.56100000 +v -0.10850000 0.22100000 0.54700000 +v -0.10850000 0.22100000 0.56100000 +v -0.12150000 0.21750000 0.54650000 +v -0.12150000 0.21750000 0.56150000 +v -0.12150000 0.22050000 0.54650000 +v -0.12150000 0.22050000 0.56150000 +v -0.10850000 0.21750000 0.54650000 +v -0.10850000 0.21750000 0.56150000 +v -0.10850000 0.22050000 0.54650000 +v -0.10850000 0.22050000 0.56150000 +f 16 24 8 +f 1 17 9 +f 20 12 4 +f 7 23 15 +f 19 3 11 +f 18 2 10 +f 13 21 5 +f 6 22 14 +f 1 2 3 +f 3 2 4 +f 16 15 12 +f 12 15 11 +f 12 3 4 +f 11 3 12 +f 4 2 20 +f 20 2 18 +f 16 12 20 +f 20 24 16 +f 7 21 23 +f 5 21 7 +f 7 6 5 +f 7 8 6 +f 7 15 16 +f 16 8 7 +f 11 15 19 +f 15 23 19 +f 23 21 19 +f 19 21 17 +f 1 3 19 +f 19 17 1 +f 22 20 18 +f 24 20 22 +f 6 8 22 +f 22 8 24 +f 10 2 1 +f 1 9 10 +f 17 21 13 +f 13 9 17 +f 14 22 18 +f 18 10 14 +f 5 6 14 +f 14 13 5 +f 14 10 9 +f 9 13 14 + diff --git a/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__column_cover.mtl b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__column_cover.mtl new file mode 100644 index 0000000000000000000000000000000000000000..15598e90898a027db0b5f82a0d4bd28f1e9c84e2 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__column_cover.mtl @@ -0,0 +1,6 @@ +newmtl agilent_1290infinity__column_cover +Kd 0.1400 0.1700 0.2000 +Ka 0 0 0 +Ks 0.05 0.05 0.05 +Ns 20 +d 1 diff --git a/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__column_cover.obj b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__column_cover.obj new file mode 100644 index 0000000000000000000000000000000000000000..f7d602cca8ecf88ecac1be34f94bcb119d36f70e --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__column_cover.obj @@ -0,0 +1,72 @@ +mtllib agilent_1290infinity__column_cover.mtl +usemtl agilent_1290infinity__column_cover +# https://github.com/mikedh/trimesh +v -0.21150000 -0.00525000 0.00175000 +v -0.21150000 -0.00525000 0.11125000 +v -0.21150000 0.00525000 0.00175000 +v -0.21150000 0.00525000 0.11125000 +v 0.21150000 -0.00525000 0.00175000 +v 0.21150000 -0.00525000 0.11125000 +v 0.21150000 0.00525000 0.00175000 +v 0.21150000 0.00525000 0.11125000 +v -0.20975000 -0.00700000 0.00175000 +v -0.20975000 -0.00700000 0.11125000 +v -0.20975000 0.00700000 0.00175000 +v -0.20975000 0.00700000 0.11125000 +v 0.20975000 -0.00700000 0.00175000 +v 0.20975000 -0.00700000 0.11125000 +v 0.20975000 0.00700000 0.00175000 +v 0.20975000 0.00700000 0.11125000 +v -0.20975000 -0.00525000 0.00000000 +v -0.20975000 -0.00525000 0.11300000 +v -0.20975000 0.00525000 0.00000000 +v -0.20975000 0.00525000 0.11300000 +v 0.20975000 -0.00525000 0.00000000 +v 0.20975000 -0.00525000 0.11300000 +v 0.20975000 0.00525000 0.00000000 +v 0.20975000 0.00525000 0.11300000 +f 1 17 9 +f 20 12 4 +f 7 23 15 +f 19 3 11 +f 24 8 16 +f 14 6 22 +f 18 2 10 +f 13 21 5 +f 1 2 3 +f 3 2 4 +f 16 15 12 +f 12 15 11 +f 12 3 4 +f 11 3 12 +f 4 2 20 +f 20 2 18 +f 7 21 23 +f 5 21 7 +f 7 15 16 +f 16 8 7 +f 11 15 19 +f 15 23 19 +f 23 21 19 +f 19 21 17 +f 1 3 19 +f 19 17 1 +f 5 7 6 +f 6 7 8 +f 24 6 8 +f 22 6 24 +f 16 12 24 +f 12 20 24 +f 24 20 18 +f 18 22 24 +f 10 2 1 +f 1 9 10 +f 10 22 18 +f 10 14 22 +f 5 6 13 +f 6 14 13 +f 17 21 13 +f 13 9 17 +f 13 10 9 +f 14 10 13 + diff --git a/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__column_fascia.mtl b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__column_fascia.mtl new file mode 100644 index 0000000000000000000000000000000000000000..86bab44d4a107ad4ac2dd37d2830b4d0ead77976 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__column_fascia.mtl @@ -0,0 +1,6 @@ +newmtl agilent_1290infinity__column_fascia +Kd 0.8700 0.8800 0.8800 +Ka 0 0 0 +Ks 0.05 0.05 0.05 +Ns 20 +d 1 diff --git a/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__column_fascia.obj b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__column_fascia.obj new file mode 100644 index 0000000000000000000000000000000000000000..2a9dfa2d5ec164548ef608f391bd1d8906a49fb3 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__column_fascia.obj @@ -0,0 +1,72 @@ +mtllib agilent_1290infinity__column_fascia.mtl +usemtl agilent_1290infinity__column_fascia +# https://github.com/mikedh/trimesh +v -0.21150000 -0.21525000 0.64025000 +v -0.21150000 -0.21525000 0.67575000 +v -0.21150000 -0.20475000 0.64025000 +v -0.21150000 -0.20475000 0.67575000 +v 0.21150000 -0.21525000 0.64025000 +v 0.21150000 -0.21525000 0.67575000 +v 0.21150000 -0.20475000 0.64025000 +v 0.21150000 -0.20475000 0.67575000 +v -0.20975000 -0.21700000 0.64025000 +v -0.20975000 -0.21700000 0.67575000 +v -0.20975000 -0.20300000 0.64025000 +v -0.20975000 -0.20300000 0.67575000 +v 0.20975000 -0.21700000 0.64025000 +v 0.20975000 -0.21700000 0.67575000 +v 0.20975000 -0.20300000 0.64025000 +v 0.20975000 -0.20300000 0.67575000 +v -0.20975000 -0.21525000 0.63850000 +v -0.20975000 -0.21525000 0.67750000 +v -0.20975000 -0.20475000 0.63850000 +v -0.20975000 -0.20475000 0.67750000 +v 0.20975000 -0.21525000 0.63850000 +v 0.20975000 -0.21525000 0.67750000 +v 0.20975000 -0.20475000 0.63850000 +v 0.20975000 -0.20475000 0.67750000 +f 1 17 9 +f 20 12 4 +f 7 23 15 +f 19 3 11 +f 24 8 16 +f 14 6 22 +f 18 2 10 +f 13 21 5 +f 1 2 3 +f 3 2 4 +f 16 15 12 +f 12 15 11 +f 12 3 4 +f 11 3 12 +f 4 2 20 +f 20 2 18 +f 7 21 23 +f 5 21 7 +f 7 15 16 +f 16 8 7 +f 11 15 19 +f 15 23 19 +f 23 21 19 +f 19 21 17 +f 1 3 19 +f 19 17 1 +f 5 7 6 +f 6 7 8 +f 24 6 8 +f 22 6 24 +f 16 12 24 +f 12 20 24 +f 24 20 18 +f 18 22 24 +f 10 2 1 +f 1 9 10 +f 10 22 18 +f 10 14 22 +f 5 6 13 +f 6 14 13 +f 17 21 13 +f 13 9 17 +f 13 10 9 +f 14 10 13 + diff --git a/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__column_fitting_0_1.mtl b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__column_fitting_0_1.mtl new file mode 100644 index 0000000000000000000000000000000000000000..d9c466d063538388f2a4275083ef412867856cd6 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__column_fitting_0_1.mtl @@ -0,0 +1,6 @@ +newmtl agilent_1290infinity__column_fitting_0_1 +Kd 0.1300 0.2700 0.3200 +Ka 0 0 0 +Ks 0.05 0.05 0.05 +Ns 20 +d 1 diff --git a/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__column_fitting_0_1.obj b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__column_fitting_0_1.obj new file mode 100644 index 0000000000000000000000000000000000000000..5e088642594288fd8a7fe2eda91c89f3d5be2bd0 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__column_fitting_0_1.obj @@ -0,0 +1,294 @@ +mtllib agilent_1290infinity__column_fitting_0_1.mtl +usemtl agilent_1290infinity__column_fitting_0_1 +# https://github.com/mikedh/trimesh +v -0.04450000 -0.17300000 0.55000000 +v -0.04450000 -0.17300000 0.54400000 +v -0.03550000 -0.17300000 0.54400000 +v -0.03550000 -0.17300000 0.55000000 +v -0.04450000 -0.17221684 0.54405133 +v -0.03550000 -0.17221684 0.54405133 +v -0.04450000 -0.17144709 0.54420445 +v -0.03550000 -0.17144709 0.54420445 +v -0.04450000 -0.17070390 0.54445672 +v -0.03550000 -0.17070390 0.54445672 +v -0.04450000 -0.17000000 0.54480385 +v -0.03550000 -0.17000000 0.54480385 +v -0.04450000 -0.16934743 0.54523988 +v -0.03550000 -0.16934743 0.54523988 +v -0.04450000 -0.16875736 0.54575736 +v -0.03550000 -0.16875736 0.54575736 +v -0.04450000 -0.16823988 0.54634743 +v -0.03550000 -0.16823988 0.54634743 +v -0.04450000 -0.16780385 0.54700000 +v -0.03550000 -0.16780385 0.54700000 +v -0.04450000 -0.16745672 0.54770390 +v -0.03550000 -0.16745672 0.54770390 +v -0.04450000 -0.16720445 0.54844709 +v -0.03550000 -0.16720445 0.54844709 +v -0.04450000 -0.16705133 0.54921684 +v -0.03550000 -0.16705133 0.54921684 +v -0.04450000 -0.16700000 0.55000000 +v -0.03550000 -0.16700000 0.55000000 +v -0.04450000 -0.16705133 0.55078316 +v -0.03550000 -0.16705133 0.55078316 +v -0.04450000 -0.16720445 0.55155291 +v -0.03550000 -0.16720445 0.55155291 +v -0.04450000 -0.16745672 0.55229610 +v -0.03550000 -0.16745672 0.55229610 +v -0.04450000 -0.16780385 0.55300000 +v -0.03550000 -0.16780385 0.55300000 +v -0.04450000 -0.16823988 0.55365257 +v -0.03550000 -0.16823988 0.55365257 +v -0.04450000 -0.16875736 0.55424264 +v -0.03550000 -0.16875736 0.55424264 +v -0.04450000 -0.16934743 0.55476012 +v -0.03550000 -0.16934743 0.55476012 +v -0.04450000 -0.17000000 0.55519615 +v -0.03550000 -0.17000000 0.55519615 +v -0.04450000 -0.17070390 0.55554328 +v -0.03550000 -0.17070390 0.55554328 +v -0.04450000 -0.17144709 0.55579555 +v -0.03550000 -0.17144709 0.55579555 +v -0.04450000 -0.17221684 0.55594867 +v -0.03550000 -0.17221684 0.55594867 +v -0.04450000 -0.17300000 0.55600000 +v -0.03550000 -0.17300000 0.55600000 +v -0.04450000 -0.17378316 0.55594867 +v -0.03550000 -0.17378316 0.55594867 +v -0.04450000 -0.17455291 0.55579555 +v -0.03550000 -0.17455291 0.55579555 +v -0.04450000 -0.17529610 0.55554328 +v -0.03550000 -0.17529610 0.55554328 +v -0.04450000 -0.17600000 0.55519615 +v -0.03550000 -0.17600000 0.55519615 +v -0.04450000 -0.17665257 0.55476012 +v -0.03550000 -0.17665257 0.55476012 +v -0.04450000 -0.17724264 0.55424264 +v -0.03550000 -0.17724264 0.55424264 +v -0.04450000 -0.17776012 0.55365257 +v -0.03550000 -0.17776012 0.55365257 +v -0.04450000 -0.17819615 0.55300000 +v -0.03550000 -0.17819615 0.55300000 +v -0.04450000 -0.17854328 0.55229610 +v -0.03550000 -0.17854328 0.55229610 +v -0.04450000 -0.17879555 0.55155291 +v -0.03550000 -0.17879555 0.55155291 +v -0.04450000 -0.17894867 0.55078316 +v -0.03550000 -0.17894867 0.55078316 +v -0.04450000 -0.17900000 0.55000000 +v -0.03550000 -0.17900000 0.55000000 +v -0.04450000 -0.17894867 0.54921684 +v -0.03550000 -0.17894867 0.54921684 +v -0.04450000 -0.17879555 0.54844709 +v -0.03550000 -0.17879555 0.54844709 +v -0.04450000 -0.17854328 0.54770390 +v -0.03550000 -0.17854328 0.54770390 +v -0.04450000 -0.17819615 0.54700000 +v -0.03550000 -0.17819615 0.54700000 +v -0.04450000 -0.17776012 0.54634743 +v -0.03550000 -0.17776012 0.54634743 +v -0.04450000 -0.17724264 0.54575736 +v -0.03550000 -0.17724264 0.54575736 +v -0.04450000 -0.17665257 0.54523988 +v -0.03550000 -0.17665257 0.54523988 +v -0.04450000 -0.17600000 0.54480385 +v -0.03550000 -0.17600000 0.54480385 +v -0.04450000 -0.17529610 0.54445672 +v -0.03550000 -0.17529610 0.54445672 +v -0.04450000 -0.17455291 0.54420445 +v -0.03550000 -0.17455291 0.54420445 +v -0.04450000 -0.17378316 0.54405133 +v -0.03550000 -0.17378316 0.54405133 +f 2 1 5 +f 2 5 3 +f 3 5 6 +f 3 6 4 +f 5 1 7 +f 5 7 6 +f 6 7 8 +f 6 8 4 +f 7 1 9 +f 7 9 8 +f 8 9 10 +f 8 10 4 +f 9 1 11 +f 9 11 10 +f 10 11 12 +f 10 12 4 +f 11 1 13 +f 11 13 12 +f 12 13 14 +f 12 14 4 +f 13 1 15 +f 13 15 14 +f 14 15 16 +f 14 16 4 +f 15 1 17 +f 15 17 16 +f 16 17 18 +f 16 18 4 +f 17 1 19 +f 17 19 18 +f 18 19 20 +f 18 20 4 +f 19 1 21 +f 19 21 20 +f 20 21 22 +f 20 22 4 +f 21 1 23 +f 21 23 22 +f 22 23 24 +f 22 24 4 +f 23 1 25 +f 23 25 24 +f 24 25 26 +f 24 26 4 +f 25 1 27 +f 25 27 26 +f 26 27 28 +f 26 28 4 +f 27 1 29 +f 27 29 28 +f 28 29 30 +f 28 30 4 +f 29 1 31 +f 29 31 30 +f 30 31 32 +f 30 32 4 +f 31 1 33 +f 31 33 32 +f 32 33 34 +f 32 34 4 +f 33 1 35 +f 33 35 34 +f 34 35 36 +f 34 36 4 +f 35 1 37 +f 35 37 36 +f 36 37 38 +f 36 38 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+Ka 0 0 0 +Ks 0.05 0.05 0.05 +Ns 20 +d 1 diff --git a/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__column_fitting_0_m1.obj b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__column_fitting_0_m1.obj new file mode 100644 index 0000000000000000000000000000000000000000..34519d404ea8b4309647fc03a59aed2e505893c9 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__column_fitting_0_m1.obj @@ -0,0 +1,294 @@ +mtllib agilent_1290infinity__column_fitting_0_m1.mtl +usemtl agilent_1290infinity__column_fitting_0_m1 +# https://github.com/mikedh/trimesh +v -0.15450000 -0.17300000 0.55000000 +v -0.15450000 -0.17300000 0.54400000 +v -0.14550000 -0.17300000 0.54400000 +v -0.14550000 -0.17300000 0.55000000 +v -0.15450000 -0.17221684 0.54405133 +v -0.14550000 -0.17221684 0.54405133 +v -0.15450000 -0.17144709 0.54420445 +v -0.14550000 -0.17144709 0.54420445 +v 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b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__column_fitting_1_1.mtl @@ -0,0 +1,6 @@ +newmtl agilent_1290infinity__column_fitting_1_1 +Kd 0.1300 0.2700 0.3200 +Ka 0 0 0 +Ks 0.05 0.05 0.05 +Ns 20 +d 1 diff --git a/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__column_fitting_1_1.obj b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__column_fitting_1_1.obj new file mode 100644 index 0000000000000000000000000000000000000000..0459c825a934081938e303d0c102abeb75fbc315 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__column_fitting_1_1.obj @@ -0,0 +1,294 @@ +mtllib agilent_1290infinity__column_fitting_1_1.mtl +usemtl agilent_1290infinity__column_fitting_1_1 +# https://github.com/mikedh/trimesh +v -0.04450000 -0.17300000 0.57600000 +v -0.04450000 -0.17300000 0.57000000 +v -0.03550000 -0.17300000 0.57000000 +v 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b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__column_fitting_1_m1.mtl new file mode 100644 index 0000000000000000000000000000000000000000..f478a86d4e2ce9f1161ca8cc29383b8d26e3538b --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__column_fitting_1_m1.mtl @@ -0,0 +1,6 @@ +newmtl agilent_1290infinity__column_fitting_1_m1 +Kd 0.1300 0.2700 0.3200 +Ka 0 0 0 +Ks 0.05 0.05 0.05 +Ns 20 +d 1 diff --git a/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__column_fitting_1_m1.obj b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__column_fitting_1_m1.obj new file mode 100644 index 0000000000000000000000000000000000000000..80a8e4ad32bd5c34905e2a590abc3089fc570e12 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__column_fitting_1_m1.obj @@ -0,0 +1,294 @@ +mtllib agilent_1290infinity__column_fitting_1_m1.mtl +usemtl agilent_1290infinity__column_fitting_1_m1 +# https://github.com/mikedh/trimesh +v -0.15450000 -0.17300000 0.57600000 +v -0.15450000 -0.17300000 0.57000000 +v -0.14550000 -0.17300000 0.57000000 +v -0.14550000 -0.17300000 0.57600000 +v -0.15450000 -0.17221684 0.57005133 +v -0.14550000 -0.17221684 0.57005133 +v -0.15450000 -0.17144709 0.57020445 +v -0.14550000 -0.17144709 0.57020445 +v -0.15450000 -0.17070390 0.57045672 +v -0.14550000 -0.17070390 0.57045672 +v -0.15450000 -0.17000000 0.57080385 +v -0.14550000 -0.17000000 0.57080385 +v -0.15450000 -0.16934743 0.57123988 +v -0.14550000 -0.16934743 0.57123988 +v -0.15450000 -0.16875736 0.57175736 +v -0.14550000 -0.16875736 0.57175736 +v -0.15450000 -0.16823988 0.57234743 +v -0.14550000 -0.16823988 0.57234743 +v -0.15450000 -0.16780385 0.57300000 +v -0.14550000 -0.16780385 0.57300000 +v -0.15450000 -0.16745672 0.57370390 +v -0.14550000 -0.16745672 0.57370390 +v -0.15450000 -0.16720445 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+v -0.14550000 -0.17221684 0.58194867 +v -0.15450000 -0.17300000 0.58200000 +v -0.14550000 -0.17300000 0.58200000 +v -0.15450000 -0.17378316 0.58194867 +v -0.14550000 -0.17378316 0.58194867 +v -0.15450000 -0.17455291 0.58179555 +v -0.14550000 -0.17455291 0.58179555 +v -0.15450000 -0.17529610 0.58154328 +v -0.14550000 -0.17529610 0.58154328 +v -0.15450000 -0.17600000 0.58119615 +v -0.14550000 -0.17600000 0.58119615 +v -0.15450000 -0.17665257 0.58076012 +v -0.14550000 -0.17665257 0.58076012 +v -0.15450000 -0.17724264 0.58024264 +v -0.14550000 -0.17724264 0.58024264 +v -0.15450000 -0.17776012 0.57965257 +v -0.14550000 -0.17776012 0.57965257 +v -0.15450000 -0.17819615 0.57900000 +v -0.14550000 -0.17819615 0.57900000 +v -0.15450000 -0.17854328 0.57829610 +v -0.14550000 -0.17854328 0.57829610 +v -0.15450000 -0.17879555 0.57755291 +v -0.14550000 -0.17879555 0.57755291 +v -0.15450000 -0.17894867 0.57678316 +v -0.14550000 -0.17894867 0.57678316 +v -0.15450000 -0.17900000 0.57600000 +v -0.14550000 -0.17900000 0.57600000 +v -0.15450000 -0.17894867 0.57521684 +v -0.14550000 -0.17894867 0.57521684 +v -0.15450000 -0.17879555 0.57444709 +v -0.14550000 -0.17879555 0.57444709 +v -0.15450000 -0.17854328 0.57370390 +v -0.14550000 -0.17854328 0.57370390 +v -0.15450000 -0.17819615 0.57300000 +v -0.14550000 -0.17819615 0.57300000 +v -0.15450000 -0.17776012 0.57234743 +v -0.14550000 -0.17776012 0.57234743 +v -0.15450000 -0.17724264 0.57175736 +v -0.14550000 -0.17724264 0.57175736 +v -0.15450000 -0.17665257 0.57123988 +v -0.14550000 -0.17665257 0.57123988 +v -0.15450000 -0.17600000 0.57080385 +v -0.14550000 -0.17600000 0.57080385 +v -0.15450000 -0.17529610 0.57045672 +v -0.14550000 -0.17529610 0.57045672 +v -0.15450000 -0.17455291 0.57020445 +v -0.14550000 -0.17455291 0.57020445 +v -0.15450000 -0.17378316 0.57005133 +v -0.14550000 -0.17378316 0.57005133 +f 2 1 5 +f 2 5 3 +f 3 5 6 +f 3 6 4 +f 5 1 7 +f 5 7 6 +f 6 7 8 +f 6 8 4 +f 7 1 9 +f 7 9 8 +f 8 9 10 +f 8 10 4 +f 9 1 11 +f 9 11 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98 4 +f 97 1 2 +f 97 2 98 +f 98 2 3 +f 98 3 4 + diff --git a/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__column_fitting_2_1.mtl b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__column_fitting_2_1.mtl new file mode 100644 index 0000000000000000000000000000000000000000..0853150ba6756f9c4f2aa2ee6949e354e365c5eb --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__column_fitting_2_1.mtl @@ -0,0 +1,6 @@ +newmtl agilent_1290infinity__column_fitting_2_1 +Kd 0.1300 0.2700 0.3200 +Ka 0 0 0 +Ks 0.05 0.05 0.05 +Ns 20 +d 1 diff --git a/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__column_fitting_2_1.obj b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__column_fitting_2_1.obj new file mode 100644 index 0000000000000000000000000000000000000000..7180c20bc631086d2a8b7b894ec34b2c0da75d98 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__column_fitting_2_1.obj @@ -0,0 +1,294 @@ +mtllib agilent_1290infinity__column_fitting_2_1.mtl +usemtl agilent_1290infinity__column_fitting_2_1 +# https://github.com/mikedh/trimesh +v -0.04450000 -0.17300000 0.60200000 +v -0.04450000 -0.17300000 0.59600000 +v -0.03550000 -0.17300000 0.59600000 +v -0.03550000 -0.17300000 0.60200000 +v -0.04450000 -0.17221684 0.59605133 +v -0.03550000 -0.17221684 0.59605133 +v -0.04450000 -0.17144709 0.59620445 +v -0.03550000 -0.17144709 0.59620445 +v -0.04450000 -0.17070390 0.59645672 +v -0.03550000 -0.17070390 0.59645672 +v -0.04450000 -0.17000000 0.59680385 +v -0.03550000 -0.17000000 0.59680385 +v -0.04450000 -0.16934743 0.59723988 +v -0.03550000 -0.16934743 0.59723988 +v -0.04450000 -0.16875736 0.59775736 +v -0.03550000 -0.16875736 0.59775736 +v -0.04450000 -0.16823988 0.59834743 +v -0.03550000 -0.16823988 0.59834743 +v -0.04450000 -0.16780385 0.59900000 +v -0.03550000 -0.16780385 0.59900000 +v -0.04450000 -0.16745672 0.59970390 +v -0.03550000 -0.16745672 0.59970390 +v -0.04450000 -0.16720445 0.60044709 +v -0.03550000 -0.16720445 0.60044709 +v -0.04450000 -0.16705133 0.60121684 +v -0.03550000 -0.16705133 0.60121684 +v -0.04450000 -0.16700000 0.60200000 +v -0.03550000 -0.16700000 0.60200000 +v -0.04450000 -0.16705133 0.60278316 +v -0.03550000 -0.16705133 0.60278316 +v -0.04450000 -0.16720445 0.60355291 +v -0.03550000 -0.16720445 0.60355291 +v -0.04450000 -0.16745672 0.60429610 +v -0.03550000 -0.16745672 0.60429610 +v -0.04450000 -0.16780385 0.60500000 +v -0.03550000 -0.16780385 0.60500000 +v -0.04450000 -0.16823988 0.60565257 +v -0.03550000 -0.16823988 0.60565257 +v -0.04450000 -0.16875736 0.60624264 +v -0.03550000 -0.16875736 0.60624264 +v -0.04450000 -0.16934743 0.60676012 +v -0.03550000 -0.16934743 0.60676012 +v -0.04450000 -0.17000000 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a/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__column_fitting_2_m1.obj b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__column_fitting_2_m1.obj new file mode 100644 index 0000000000000000000000000000000000000000..3b049e20aebc43f0c255b215a683f79e2c0b8267 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__column_fitting_2_m1.obj @@ -0,0 +1,294 @@ +mtllib agilent_1290infinity__column_fitting_2_m1.mtl +usemtl agilent_1290infinity__column_fitting_2_m1 +# https://github.com/mikedh/trimesh +v -0.15450000 -0.17300000 0.60200000 +v -0.15450000 -0.17300000 0.59600000 +v -0.14550000 -0.17300000 0.59600000 +v -0.14550000 -0.17300000 0.60200000 +v -0.15450000 -0.17221684 0.59605133 +v -0.14550000 -0.17221684 0.59605133 +v -0.15450000 -0.17144709 0.59620445 +v -0.14550000 -0.17144709 0.59620445 +v -0.15450000 -0.17070390 0.59645672 +v -0.14550000 -0.17070390 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+v -0.15450000 -0.16823988 0.60565257 +v -0.14550000 -0.16823988 0.60565257 +v -0.15450000 -0.16875736 0.60624264 +v -0.14550000 -0.16875736 0.60624264 +v -0.15450000 -0.16934743 0.60676012 +v -0.14550000 -0.16934743 0.60676012 +v -0.15450000 -0.17000000 0.60719615 +v -0.14550000 -0.17000000 0.60719615 +v -0.15450000 -0.17070390 0.60754328 +v -0.14550000 -0.17070390 0.60754328 +v -0.15450000 -0.17144709 0.60779555 +v -0.14550000 -0.17144709 0.60779555 +v -0.15450000 -0.17221684 0.60794867 +v -0.14550000 -0.17221684 0.60794867 +v -0.15450000 -0.17300000 0.60800000 +v -0.14550000 -0.17300000 0.60800000 +v -0.15450000 -0.17378316 0.60794867 +v -0.14550000 -0.17378316 0.60794867 +v -0.15450000 -0.17455291 0.60779555 +v -0.14550000 -0.17455291 0.60779555 +v -0.15450000 -0.17529610 0.60754328 +v -0.14550000 -0.17529610 0.60754328 +v -0.15450000 -0.17600000 0.60719615 +v -0.14550000 -0.17600000 0.60719615 +v -0.15450000 -0.17665257 0.60676012 +v -0.14550000 -0.17665257 0.60676012 +v -0.15450000 -0.17724264 0.60624264 +v -0.14550000 -0.17724264 0.60624264 +v -0.15450000 -0.17776012 0.60565257 +v -0.14550000 -0.17776012 0.60565257 +v -0.15450000 -0.17819615 0.60500000 +v -0.14550000 -0.17819615 0.60500000 +v -0.15450000 -0.17854328 0.60429610 +v -0.14550000 -0.17854328 0.60429610 +v -0.15450000 -0.17879555 0.60355291 +v -0.14550000 -0.17879555 0.60355291 +v -0.15450000 -0.17894867 0.60278316 +v -0.14550000 -0.17894867 0.60278316 +v -0.15450000 -0.17900000 0.60200000 +v -0.14550000 -0.17900000 0.60200000 +v -0.15450000 -0.17894867 0.60121684 +v -0.14550000 -0.17894867 0.60121684 +v -0.15450000 -0.17879555 0.60044709 +v -0.14550000 -0.17879555 0.60044709 +v -0.15450000 -0.17854328 0.59970390 +v -0.14550000 -0.17854328 0.59970390 +v -0.15450000 -0.17819615 0.59900000 +v -0.14550000 -0.17819615 0.59900000 +v -0.15450000 -0.17776012 0.59834743 +v -0.14550000 -0.17776012 0.59834743 +v -0.15450000 -0.17724264 0.59775736 +v -0.14550000 -0.17724264 0.59775736 +v -0.15450000 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b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__column_fitting_3_1.mtl @@ -0,0 +1,6 @@ +newmtl agilent_1290infinity__column_fitting_3_1 +Kd 0.1300 0.2700 0.3200 +Ka 0 0 0 +Ks 0.05 0.05 0.05 +Ns 20 +d 1 diff --git a/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__column_fitting_3_1.obj b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__column_fitting_3_1.obj new file mode 100644 index 0000000000000000000000000000000000000000..fbbc878dffc51659cb0e06a2c0fbb6ef6fa8b4cf --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__column_fitting_3_1.obj @@ -0,0 +1,294 @@ +mtllib agilent_1290infinity__column_fitting_3_1.mtl +usemtl agilent_1290infinity__column_fitting_3_1 +# https://github.com/mikedh/trimesh +v -0.04450000 -0.17300000 0.62800000 +v -0.04450000 -0.17300000 0.62200000 +v -0.03550000 -0.17300000 0.62200000 +v 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b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__column_fitting_3_m1.mtl new file mode 100644 index 0000000000000000000000000000000000000000..455359f78307cebe631af82805d29e9f98855fa7 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__column_fitting_3_m1.mtl @@ -0,0 +1,6 @@ +newmtl agilent_1290infinity__column_fitting_3_m1 +Kd 0.1300 0.2700 0.3200 +Ka 0 0 0 +Ks 0.05 0.05 0.05 +Ns 20 +d 1 diff --git a/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__column_fitting_3_m1.obj b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__column_fitting_3_m1.obj new file mode 100644 index 0000000000000000000000000000000000000000..f9a0f4f92cc1fd7ca9ce81501d91e9838d74c375 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__column_fitting_3_m1.obj @@ -0,0 +1,294 @@ +mtllib 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b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__column_fitting_4_m1.obj new file mode 100644 index 0000000000000000000000000000000000000000..c4a8ab5fa1cb7f0edded3688e367abb6cf8773d5 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__column_fitting_4_m1.obj @@ -0,0 +1,294 @@ +mtllib agilent_1290infinity__column_fitting_4_m1.mtl +usemtl agilent_1290infinity__column_fitting_4_m1 +# https://github.com/mikedh/trimesh +v 0.03550000 -0.17300000 0.55000000 +v 0.03550000 -0.17300000 0.54400000 +v 0.04450000 -0.17300000 0.54400000 +v 0.04450000 -0.17300000 0.55000000 +v 0.03550000 -0.17221684 0.54405133 +v 0.04450000 -0.17221684 0.54405133 +v 0.03550000 -0.17144709 0.54420445 +v 0.04450000 -0.17144709 0.54420445 +v 0.03550000 -0.17070390 0.54445672 +v 0.04450000 -0.17070390 0.54445672 +v 0.03550000 -0.17000000 0.54480385 +v 0.04450000 -0.17000000 0.54480385 +v 0.03550000 -0.16934743 0.54523988 +v 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a/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__column_fitting_5_1.obj b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__column_fitting_5_1.obj new file mode 100644 index 0000000000000000000000000000000000000000..60064e1ab07b7e87851fe44dd7037c420970b900 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__column_fitting_5_1.obj @@ -0,0 +1,294 @@ +mtllib agilent_1290infinity__column_fitting_5_1.mtl +usemtl agilent_1290infinity__column_fitting_5_1 +# https://github.com/mikedh/trimesh +v 0.14550000 -0.17300000 0.57600000 +v 0.14550000 -0.17300000 0.57000000 +v 0.15450000 -0.17300000 0.57000000 +v 0.15450000 -0.17300000 0.57600000 +v 0.14550000 -0.17221684 0.57005133 +v 0.15450000 -0.17221684 0.57005133 +v 0.14550000 -0.17144709 0.57020445 +v 0.15450000 -0.17144709 0.57020445 +v 0.14550000 -0.17070390 0.57045672 +v 0.15450000 -0.17070390 0.57045672 +v 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b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__column_fitting_6_m1.mtl @@ -0,0 +1,6 @@ +newmtl agilent_1290infinity__column_fitting_6_m1 +Kd 0.1300 0.2700 0.3200 +Ka 0 0 0 +Ks 0.05 0.05 0.05 +Ns 20 +d 1 diff --git a/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__column_fitting_6_m1.obj b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__column_fitting_6_m1.obj new file mode 100644 index 0000000000000000000000000000000000000000..2e3f5ffab50224b316ed7ab10174c9d9c9ec0b27 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__column_fitting_6_m1.obj @@ -0,0 +1,294 @@ +mtllib agilent_1290infinity__column_fitting_6_m1.mtl +usemtl agilent_1290infinity__column_fitting_6_m1 +# https://github.com/mikedh/trimesh +v 0.03550000 -0.17300000 0.60200000 +v 0.03550000 -0.17300000 0.59600000 +v 0.04450000 -0.17300000 0.59600000 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a/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__column_grip.mtl b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__column_grip.mtl new file mode 100644 index 0000000000000000000000000000000000000000..dada6a77ed2ad559c25246bf013a69ea2af697b5 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__column_grip.mtl @@ -0,0 +1,6 @@ +newmtl agilent_1290infinity__column_grip +Kd 0.5500 0.5900 0.6200 +Ka 0 0 0 +Ks 0.05 0.05 0.05 +Ns 20 +d 1 diff --git a/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__column_grip.obj b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__column_grip.obj new file mode 100644 index 0000000000000000000000000000000000000000..d0cb1d6be71edb0411fba91f05ca98cb75688bfb --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__column_grip.obj @@ -0,0 +1,72 @@ +mtllib agilent_1290infinity__column_grip.mtl +usemtl agilent_1290infinity__column_grip +# https://github.com/mikedh/trimesh +v -0.09150000 -0.01750000 0.09950000 +v -0.09150000 -0.01750000 0.10850000 +v -0.09150000 -0.00850000 0.09950000 +v -0.09150000 -0.00850000 0.10850000 +v 0.09150000 -0.01750000 0.09950000 +v 0.09150000 -0.01750000 0.10850000 +v 0.09150000 -0.00850000 0.09950000 +v 0.09150000 -0.00850000 0.10850000 +v -0.09000000 -0.01900000 0.09950000 +v -0.09000000 -0.01900000 0.10850000 +v -0.09000000 -0.00700000 0.09950000 +v -0.09000000 -0.00700000 0.10850000 +v 0.09000000 -0.01900000 0.09950000 +v 0.09000000 -0.01900000 0.10850000 +v 0.09000000 -0.00700000 0.09950000 +v 0.09000000 -0.00700000 0.10850000 +v -0.09000000 -0.01750000 0.09800000 +v -0.09000000 -0.01750000 0.11000000 +v -0.09000000 -0.00850000 0.09800000 +v -0.09000000 -0.00850000 0.11000000 +v 0.09000000 -0.01750000 0.09800000 +v 0.09000000 -0.01750000 0.11000000 +v 0.09000000 -0.00850000 0.09800000 +v 0.09000000 -0.00850000 0.11000000 +f 1 17 9 +f 20 12 4 +f 19 3 11 +f 24 8 16 +f 7 23 15 +f 14 6 22 +f 18 2 10 +f 13 21 5 +f 1 2 3 +f 3 2 4 +f 16 15 12 +f 12 15 11 +f 12 3 4 +f 11 3 12 +f 4 2 20 +f 20 2 18 +f 11 15 19 +f 15 23 19 +f 19 21 17 +f 23 21 19 +f 1 3 19 +f 19 17 1 +f 24 6 8 +f 22 6 24 +f 16 12 24 +f 12 20 24 +f 24 20 18 +f 18 22 24 +f 7 21 23 +f 5 21 7 +f 7 15 16 +f 16 8 7 +f 8 6 7 +f 7 6 5 +f 10 2 1 +f 1 9 10 +f 10 22 18 +f 10 14 22 +f 5 6 13 +f 6 14 13 +f 17 21 13 +f 13 9 17 +f 13 10 9 +f 14 10 13 + diff --git a/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__column_left.mtl b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__column_left.mtl new file mode 100644 index 0000000000000000000000000000000000000000..a2b108ce26d9e8a3ec765659de784324884c090a --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__column_left.mtl @@ -0,0 +1,6 @@ +newmtl agilent_1290infinity__column_left +Kd 0.8700 0.8800 0.8800 +Ka 0 0 0 +Ks 0.05 0.05 0.05 +Ns 20 +d 1 diff --git a/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__column_left.obj b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__column_left.obj new file mode 100644 index 0000000000000000000000000000000000000000..b2498409f292c1d80d3b9a3623c198dcd0338ea4 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__column_left.obj @@ -0,0 +1,72 @@ +mtllib agilent_1290infinity__column_left.mtl +usemtl agilent_1290infinity__column_left +# https://github.com/mikedh/trimesh +v -0.21750000 -0.20300000 0.53050000 +v -0.21750000 -0.20300000 0.67750000 +v -0.21750000 0.21500000 0.53050000 +v -0.21750000 0.21500000 0.67750000 +v -0.20550000 -0.20300000 0.53050000 +v -0.20550000 -0.20300000 0.67750000 +v -0.20550000 0.21500000 0.53050000 +v -0.20550000 0.21500000 0.67750000 +v -0.21600000 -0.20450000 0.53050000 +v -0.21600000 -0.20450000 0.67750000 +v -0.21600000 0.21650000 0.53050000 +v -0.21600000 0.21650000 0.67750000 +v -0.20700000 -0.20450000 0.53050000 +v -0.20700000 -0.20450000 0.67750000 +v -0.20700000 0.21650000 0.53050000 +v -0.20700000 0.21650000 0.67750000 +v -0.21600000 -0.20300000 0.52900000 +v -0.21600000 -0.20300000 0.67900000 +v -0.21600000 0.21500000 0.52900000 +v -0.21600000 0.21500000 0.67900000 +v -0.20700000 -0.20300000 0.52900000 +v -0.20700000 -0.20300000 0.67900000 +v -0.20700000 0.21500000 0.52900000 +v -0.20700000 0.21500000 0.67900000 +f 20 12 4 +f 1 17 9 +f 23 15 7 +f 13 21 5 +f 16 24 8 +f 19 3 11 +f 18 2 10 +f 6 22 14 +f 5 7 6 +f 6 7 8 +f 1 2 3 +f 3 2 4 +f 12 3 4 +f 11 3 12 +f 20 2 18 +f 4 2 20 +f 24 6 8 +f 24 22 6 +f 24 20 18 +f 18 22 24 +f 23 7 5 +f 5 21 23 +f 17 21 13 +f 13 9 17 +f 20 24 16 +f 12 20 16 +f 8 7 16 +f 7 15 16 +f 11 12 16 +f 16 15 11 +f 11 15 19 +f 15 23 19 +f 1 3 19 +f 19 17 1 +f 19 23 21 +f 19 21 17 +f 10 2 1 +f 1 9 10 +f 14 22 18 +f 18 10 14 +f 5 6 14 +f 14 13 5 +f 9 13 14 +f 14 10 9 + diff --git a/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__column_power_port.mtl b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__column_power_port.mtl new file mode 100644 index 0000000000000000000000000000000000000000..a2f36763e657c0eb4df600aaf020f14cffc6139d --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__column_power_port.mtl @@ -0,0 +1,6 @@ +newmtl agilent_1290infinity__column_power_port +Kd 0.0350 0.0470 0.0590 +Ka 0 0 0 +Ks 0.05 0.05 0.05 +Ns 20 +d 1 diff --git a/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__column_power_port.obj b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__column_power_port.obj new file mode 100644 index 0000000000000000000000000000000000000000..e123bacb21294aedeb10874b8d24d029c50db154 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__column_power_port.obj @@ -0,0 +1,72 @@ +mtllib agilent_1290infinity__column_power_port.mtl +usemtl agilent_1290infinity__column_power_port +# https://github.com/mikedh/trimesh +v 0.10200000 0.21750000 0.54350000 +v 0.10200000 0.21750000 0.56450000 +v 0.10200000 0.22050000 0.54350000 +v 0.10200000 0.22050000 0.56450000 +v 0.13200000 0.21750000 0.54350000 +v 0.13200000 0.21750000 0.56450000 +v 0.13200000 0.22050000 0.54350000 +v 0.13200000 0.22050000 0.56450000 +v 0.10250000 0.21700000 0.54350000 +v 0.10250000 0.21700000 0.56450000 +v 0.10250000 0.22100000 0.54350000 +v 0.10250000 0.22100000 0.56450000 +v 0.13150000 0.21700000 0.54350000 +v 0.13150000 0.21700000 0.56450000 +v 0.13150000 0.22100000 0.54350000 +v 0.13150000 0.22100000 0.56450000 +v 0.10250000 0.21750000 0.54300000 +v 0.10250000 0.21750000 0.56500000 +v 0.10250000 0.22050000 0.54300000 +v 0.10250000 0.22050000 0.56500000 +v 0.13150000 0.21750000 0.54300000 +v 0.13150000 0.21750000 0.56500000 +v 0.13150000 0.22050000 0.54300000 +v 0.13150000 0.22050000 0.56500000 +f 1 17 9 +f 20 12 4 +f 7 23 15 +f 19 3 11 +f 24 8 16 +f 14 6 22 +f 18 2 10 +f 13 21 5 +f 1 2 3 +f 3 2 4 +f 16 15 12 +f 12 15 11 +f 12 3 4 +f 11 3 12 +f 4 2 20 +f 20 2 18 +f 7 21 23 +f 5 21 7 +f 7 15 16 +f 16 8 7 +f 11 15 19 +f 15 23 19 +f 23 21 19 +f 19 21 17 +f 1 3 19 +f 19 17 1 +f 5 7 6 +f 6 7 8 +f 24 6 8 +f 22 6 24 +f 16 12 24 +f 12 20 24 +f 24 20 18 +f 18 22 24 +f 10 2 1 +f 1 9 10 +f 10 22 18 +f 10 14 22 +f 5 6 13 +f 6 14 13 +f 17 21 13 +f 13 9 17 +f 13 10 9 +f 14 10 13 + diff --git a/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__column_power_rocker.mtl b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__column_power_rocker.mtl new file mode 100644 index 0000000000000000000000000000000000000000..cc82d2aeecddc1c48a81fbc7faf10128fb587355 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__column_power_rocker.mtl @@ -0,0 +1,6 @@ +newmtl agilent_1290infinity__column_power_rocker +Kd 0.0350 0.0470 0.0590 +Ka 0 0 0 +Ks 0.05 0.05 0.05 +Ns 20 +d 1 diff --git a/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__column_power_rocker.obj b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__column_power_rocker.obj new file mode 100644 index 0000000000000000000000000000000000000000..ae725a7eaeee4a762a8c8d504c060903422080fe --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__column_power_rocker.obj @@ -0,0 +1,72 @@ +mtllib agilent_1290infinity__column_power_rocker.mtl +usemtl agilent_1290infinity__column_power_rocker +# https://github.com/mikedh/trimesh +v -0.17750000 -0.22087500 0.54212500 +v -0.17750000 -0.22087500 0.55587500 +v -0.17750000 -0.21712500 0.54212500 +v -0.17750000 -0.21712500 0.55587500 +v -0.16450000 -0.22087500 0.54212500 +v -0.16450000 -0.22087500 0.55587500 +v -0.16450000 -0.21712500 0.54212500 +v -0.16450000 -0.21712500 0.55587500 +v -0.17687500 -0.22150000 0.54212500 +v -0.17687500 -0.22150000 0.55587500 +v -0.17687500 -0.21650000 0.54212500 +v -0.17687500 -0.21650000 0.55587500 +v -0.16512500 -0.22150000 0.54212500 +v -0.16512500 -0.22150000 0.55587500 +v -0.16512500 -0.21650000 0.54212500 +v -0.16512500 -0.21650000 0.55587500 +v -0.17687500 -0.22087500 0.54150000 +v -0.17687500 -0.22087500 0.55650000 +v -0.17687500 -0.21712500 0.54150000 +v -0.17687500 -0.21712500 0.55650000 +v -0.16512500 -0.22087500 0.54150000 +v -0.16512500 -0.22087500 0.55650000 +v -0.16512500 -0.21712500 0.54150000 +v -0.16512500 -0.21712500 0.55650000 +f 16 24 8 +f 1 17 9 +f 20 12 4 +f 7 23 15 +f 19 3 11 +f 18 2 10 +f 13 21 5 +f 6 22 14 +f 1 2 3 +f 3 2 4 +f 16 15 12 +f 12 15 11 +f 12 3 4 +f 11 3 12 +f 4 2 20 +f 20 2 18 +f 16 12 20 +f 20 24 16 +f 7 21 23 +f 5 21 7 +f 7 6 5 +f 7 8 6 +f 7 15 16 +f 16 8 7 +f 11 15 19 +f 15 23 19 +f 23 21 19 +f 19 21 17 +f 1 3 19 +f 19 17 1 +f 22 20 18 +f 24 20 22 +f 6 8 22 +f 22 8 24 +f 10 2 1 +f 1 9 10 +f 17 21 13 +f 13 9 17 +f 14 22 18 +f 18 10 14 +f 5 6 14 +f 14 13 5 +f 14 10 9 +f 9 13 14 + diff --git a/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__column_rear.mtl b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__column_rear.mtl new file mode 100644 index 0000000000000000000000000000000000000000..c960f2e071580b3722c9a6746e00fba28b6a9fd8 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__column_rear.mtl @@ -0,0 +1,6 @@ +newmtl agilent_1290infinity__column_rear +Kd 0.5500 0.5900 0.6200 +Ka 0 0 0 +Ks 0.05 0.05 0.05 +Ns 20 +d 1 diff --git a/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__column_rear.obj b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__column_rear.obj new file mode 100644 index 0000000000000000000000000000000000000000..47dff855bf958dbe921c8b22412d06ad43be8d50 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__column_rear.obj @@ -0,0 +1,72 @@ +mtllib agilent_1290infinity__column_rear.mtl +usemtl agilent_1290infinity__column_rear +# https://github.com/mikedh/trimesh +v -0.21150000 0.21012500 0.53162500 +v -0.21150000 0.21012500 0.67637500 +v -0.21150000 0.21687500 0.53162500 +v -0.21150000 0.21687500 0.67637500 +v 0.21150000 0.21012500 0.53162500 +v 0.21150000 0.21012500 0.67637500 +v 0.21150000 0.21687500 0.53162500 +v 0.21150000 0.21687500 0.67637500 +v -0.21037500 0.20900000 0.53162500 +v -0.21037500 0.20900000 0.67637500 +v -0.21037500 0.21800000 0.53162500 +v -0.21037500 0.21800000 0.67637500 +v 0.21037500 0.20900000 0.53162500 +v 0.21037500 0.20900000 0.67637500 +v 0.21037500 0.21800000 0.53162500 +v 0.21037500 0.21800000 0.67637500 +v -0.21037500 0.21012500 0.53050000 +v -0.21037500 0.21012500 0.67750000 +v -0.21037500 0.21687500 0.53050000 +v -0.21037500 0.21687500 0.67750000 +v 0.21037500 0.21012500 0.53050000 +v 0.21037500 0.21012500 0.67750000 +v 0.21037500 0.21687500 0.53050000 +v 0.21037500 0.21687500 0.67750000 +f 1 17 9 +f 20 12 4 +f 7 23 15 +f 19 3 11 +f 24 8 16 +f 14 6 22 +f 18 2 10 +f 13 21 5 +f 1 2 3 +f 3 2 4 +f 16 15 12 +f 12 15 11 +f 12 3 4 +f 11 3 12 +f 4 2 20 +f 20 2 18 +f 7 21 23 +f 5 21 7 +f 7 15 16 +f 16 8 7 +f 11 15 19 +f 15 23 19 +f 23 21 19 +f 19 21 17 +f 1 3 19 +f 19 17 1 +f 5 7 6 +f 6 7 8 +f 24 6 8 +f 22 6 24 +f 16 12 24 +f 12 20 24 +f 24 20 18 +f 18 22 24 +f 10 2 1 +f 1 9 10 +f 10 22 18 +f 10 14 22 +f 5 6 13 +f 6 14 13 +f 17 21 13 +f 13 9 17 +f 13 10 9 +f 14 10 13 + diff --git a/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__column_right.mtl b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__column_right.mtl new file mode 100644 index 0000000000000000000000000000000000000000..d50abce1f78643509ce03c83e51f370460eae089 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__column_right.mtl @@ -0,0 +1,6 @@ +newmtl agilent_1290infinity__column_right +Kd 0.8700 0.8800 0.8800 +Ka 0 0 0 +Ks 0.05 0.05 0.05 +Ns 20 +d 1 diff --git a/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__column_right.obj b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__column_right.obj new file mode 100644 index 0000000000000000000000000000000000000000..bb367528102f8cbf127132bfe60ddbc336b69c8f --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__column_right.obj @@ -0,0 +1,72 @@ +mtllib agilent_1290infinity__column_right.mtl +usemtl agilent_1290infinity__column_right +# https://github.com/mikedh/trimesh +v 0.20550000 -0.20300000 0.53050000 +v 0.20550000 -0.20300000 0.67750000 +v 0.20550000 0.21500000 0.53050000 +v 0.20550000 0.21500000 0.67750000 +v 0.21750000 -0.20300000 0.53050000 +v 0.21750000 -0.20300000 0.67750000 +v 0.21750000 0.21500000 0.53050000 +v 0.21750000 0.21500000 0.67750000 +v 0.20700000 -0.20450000 0.53050000 +v 0.20700000 -0.20450000 0.67750000 +v 0.20700000 0.21650000 0.53050000 +v 0.20700000 0.21650000 0.67750000 +v 0.21600000 -0.20450000 0.53050000 +v 0.21600000 -0.20450000 0.67750000 +v 0.21600000 0.21650000 0.53050000 +v 0.21600000 0.21650000 0.67750000 +v 0.20700000 -0.20300000 0.52900000 +v 0.20700000 -0.20300000 0.67900000 +v 0.20700000 0.21500000 0.52900000 +v 0.20700000 0.21500000 0.67900000 +v 0.21600000 -0.20300000 0.52900000 +v 0.21600000 -0.20300000 0.67900000 +v 0.21600000 0.21500000 0.52900000 +v 0.21600000 0.21500000 0.67900000 +f 20 12 4 +f 1 17 9 +f 23 15 7 +f 13 21 5 +f 16 24 8 +f 19 3 11 +f 18 2 10 +f 6 22 14 +f 5 7 6 +f 6 7 8 +f 1 2 3 +f 3 2 4 +f 12 3 4 +f 11 3 12 +f 20 2 18 +f 4 2 20 +f 24 6 8 +f 24 22 6 +f 24 20 18 +f 18 22 24 +f 23 7 5 +f 5 21 23 +f 17 21 13 +f 13 9 17 +f 20 24 16 +f 12 20 16 +f 8 7 16 +f 7 15 16 +f 11 12 16 +f 16 15 11 +f 11 15 19 +f 15 23 19 +f 1 3 19 +f 19 17 1 +f 19 23 21 +f 19 21 17 +f 10 2 1 +f 1 9 10 +f 14 22 18 +f 18 10 14 +f 5 6 14 +f 14 13 5 +f 9 13 14 +f 14 10 9 + diff --git a/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__column_top.mtl b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__column_top.mtl new file mode 100644 index 0000000000000000000000000000000000000000..244366655c8d3127ed8cac7898af15b347e7c3e7 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__column_top.mtl @@ -0,0 +1,6 @@ +newmtl agilent_1290infinity__column_top +Kd 0.8700 0.8800 0.8800 +Ka 0 0 0 +Ks 0.05 0.05 0.05 +Ns 20 +d 1 diff --git a/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__column_top.obj b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__column_top.obj new file mode 100644 index 0000000000000000000000000000000000000000..cf48e70aec7485b241eba927c37ce893ba4b4767 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__column_top.obj @@ -0,0 +1,72 @@ +mtllib agilent_1290infinity__column_top.mtl +usemtl agilent_1290infinity__column_top +# https://github.com/mikedh/trimesh +v -0.21000000 -0.20775000 0.67525000 +v -0.21000000 -0.20775000 0.68275000 +v -0.21000000 0.21375000 0.67525000 +v -0.21000000 0.21375000 0.68275000 +v 0.21000000 -0.20775000 0.67525000 +v 0.21000000 -0.20775000 0.68275000 +v 0.21000000 0.21375000 0.67525000 +v 0.21000000 0.21375000 0.68275000 +v -0.20875000 -0.20900000 0.67525000 +v -0.20875000 -0.20900000 0.68275000 +v -0.20875000 0.21500000 0.67525000 +v -0.20875000 0.21500000 0.68275000 +v 0.20875000 -0.20900000 0.67525000 +v 0.20875000 -0.20900000 0.68275000 +v 0.20875000 0.21500000 0.67525000 +v 0.20875000 0.21500000 0.68275000 +v -0.20875000 -0.20775000 0.67400000 +v -0.20875000 -0.20775000 0.68400000 +v -0.20875000 0.21375000 0.67400000 +v -0.20875000 0.21375000 0.68400000 +v 0.20875000 -0.20775000 0.67400000 +v 0.20875000 -0.20775000 0.68400000 +v 0.20875000 0.21375000 0.67400000 +v 0.20875000 0.21375000 0.68400000 +f 20 12 4 +f 1 17 9 +f 8 16 24 +f 19 3 11 +f 7 23 15 +f 18 2 10 +f 13 21 5 +f 14 6 22 +f 1 2 3 +f 3 2 4 +f 12 3 4 +f 11 3 12 +f 18 22 20 +f 20 22 24 +f 20 2 18 +f 4 2 20 +f 16 20 24 +f 12 20 16 +f 5 21 23 +f 23 7 5 +f 24 22 8 +f 22 6 8 +f 5 7 8 +f 8 6 5 +f 1 3 19 +f 19 17 1 +f 19 23 21 +f 19 21 17 +f 11 12 15 +f 12 16 15 +f 23 19 15 +f 15 19 11 +f 15 8 7 +f 16 8 15 +f 10 2 1 +f 1 9 10 +f 17 21 13 +f 13 9 17 +f 5 6 14 +f 14 13 5 +f 14 22 18 +f 18 10 14 +f 14 10 9 +f 9 13 14 + diff --git a/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__column_vent_0.mtl b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__column_vent_0.mtl new file mode 100644 index 0000000000000000000000000000000000000000..c744d6e8cc72218205ce5724d83bdc0e7badf796 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__column_vent_0.mtl @@ -0,0 +1,6 @@ +newmtl agilent_1290infinity__column_vent_0 +Kd 0.1400 0.1700 0.2000 +Ka 0 0 0 +Ks 0.05 0.05 0.05 +Ns 20 +d 1 diff --git a/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__column_vent_0.obj b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__column_vent_0.obj new file mode 100644 index 0000000000000000000000000000000000000000..d6f59a71a1cc7dc4ed5e331141c545f109775caf --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__column_vent_0.obj @@ -0,0 +1,72 @@ +mtllib agilent_1290infinity__column_vent_0.mtl +usemtl agilent_1290infinity__column_vent_0 +# https://github.com/mikedh/trimesh +v 0.21700000 0.04625000 0.56975000 +v 0.21700000 0.04625000 0.57225000 +v 0.21700000 0.06375000 0.56975000 +v 0.21700000 0.06375000 0.57225000 +v 0.21900000 0.04625000 0.56975000 +v 0.21900000 0.04625000 0.57225000 +v 0.21900000 0.06375000 0.56975000 +v 0.21900000 0.06375000 0.57225000 +v 0.21725000 0.04600000 0.56975000 +v 0.21725000 0.04600000 0.57225000 +v 0.21725000 0.06400000 0.56975000 +v 0.21725000 0.06400000 0.57225000 +v 0.21875000 0.04600000 0.56975000 +v 0.21875000 0.04600000 0.57225000 +v 0.21875000 0.06400000 0.56975000 +v 0.21875000 0.06400000 0.57225000 +v 0.21725000 0.04625000 0.56950000 +v 0.21725000 0.04625000 0.57250000 +v 0.21725000 0.06375000 0.56950000 +v 0.21725000 0.06375000 0.57250000 +v 0.21875000 0.04625000 0.56950000 +v 0.21875000 0.04625000 0.57250000 +v 0.21875000 0.06375000 0.56950000 +v 0.21875000 0.06375000 0.57250000 +f 20 12 4 +f 1 17 9 +f 23 15 7 +f 13 21 5 +f 16 24 8 +f 19 3 11 +f 18 2 10 +f 6 22 14 +f 5 7 6 +f 6 7 8 +f 1 2 3 +f 3 2 4 +f 12 3 4 +f 11 3 12 +f 20 2 18 +f 4 2 20 +f 24 6 8 +f 24 22 6 +f 24 20 18 +f 18 22 24 +f 23 7 5 +f 5 21 23 +f 17 21 13 +f 13 9 17 +f 20 24 16 +f 12 20 16 +f 8 7 16 +f 7 15 16 +f 11 12 16 +f 16 15 11 +f 11 15 19 +f 15 23 19 +f 1 3 19 +f 19 17 1 +f 19 23 21 +f 19 21 17 +f 10 2 1 +f 1 9 10 +f 14 22 18 +f 18 10 14 +f 5 6 14 +f 14 13 5 +f 9 13 14 +f 14 10 9 + diff --git a/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__column_vent_1.mtl b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__column_vent_1.mtl new file mode 100644 index 0000000000000000000000000000000000000000..e4e100ef8d30fad3b56e8bf7245d1a540b102af5 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__column_vent_1.mtl @@ -0,0 +1,6 @@ +newmtl agilent_1290infinity__column_vent_1 +Kd 0.1400 0.1700 0.2000 +Ka 0 0 0 +Ks 0.05 0.05 0.05 +Ns 20 +d 1 diff --git a/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__column_vent_1.obj b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__column_vent_1.obj new file mode 100644 index 0000000000000000000000000000000000000000..38662f88350973129d3dac6b9837ac37459d488f --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__column_vent_1.obj @@ -0,0 +1,72 @@ +mtllib agilent_1290infinity__column_vent_1.mtl +usemtl agilent_1290infinity__column_vent_1 +# https://github.com/mikedh/trimesh +v 0.21700000 0.06125000 0.56975000 +v 0.21700000 0.06125000 0.57225000 +v 0.21700000 0.07875000 0.56975000 +v 0.21700000 0.07875000 0.57225000 +v 0.21900000 0.06125000 0.56975000 +v 0.21900000 0.06125000 0.57225000 +v 0.21900000 0.07875000 0.56975000 +v 0.21900000 0.07875000 0.57225000 +v 0.21725000 0.06100000 0.56975000 +v 0.21725000 0.06100000 0.57225000 +v 0.21725000 0.07900000 0.56975000 +v 0.21725000 0.07900000 0.57225000 +v 0.21875000 0.06100000 0.56975000 +v 0.21875000 0.06100000 0.57225000 +v 0.21875000 0.07900000 0.56975000 +v 0.21875000 0.07900000 0.57225000 +v 0.21725000 0.06125000 0.56950000 +v 0.21725000 0.06125000 0.57250000 +v 0.21725000 0.07875000 0.56950000 +v 0.21725000 0.07875000 0.57250000 +v 0.21875000 0.06125000 0.56950000 +v 0.21875000 0.06125000 0.57250000 +v 0.21875000 0.07875000 0.56950000 +v 0.21875000 0.07875000 0.57250000 +f 20 12 4 +f 1 17 9 +f 23 15 7 +f 13 21 5 +f 16 24 8 +f 19 3 11 +f 18 2 10 +f 6 22 14 +f 5 7 6 +f 6 7 8 +f 1 2 3 +f 3 2 4 +f 12 3 4 +f 11 3 12 +f 20 2 18 +f 4 2 20 +f 24 6 8 +f 24 22 6 +f 24 20 18 +f 18 22 24 +f 23 7 5 +f 5 21 23 +f 17 21 13 +f 13 9 17 +f 20 24 16 +f 12 20 16 +f 8 7 16 +f 7 15 16 +f 11 12 16 +f 16 15 11 +f 11 15 19 +f 15 23 19 +f 1 3 19 +f 19 17 1 +f 19 23 21 +f 19 21 17 +f 10 2 1 +f 1 9 10 +f 14 22 18 +f 18 10 14 +f 5 6 14 +f 14 13 5 +f 9 13 14 +f 14 10 9 + diff --git a/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__column_vent_2.mtl b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__column_vent_2.mtl new file mode 100644 index 0000000000000000000000000000000000000000..e1df475ebfb756c2acbcc24d92acdc4db8275bab --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__column_vent_2.mtl @@ -0,0 +1,6 @@ +newmtl agilent_1290infinity__column_vent_2 +Kd 0.1400 0.1700 0.2000 +Ka 0 0 0 +Ks 0.05 0.05 0.05 +Ns 20 +d 1 diff --git a/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__column_vent_2.obj b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__column_vent_2.obj new file mode 100644 index 0000000000000000000000000000000000000000..dcd912e5cce9aa57f52fee566a66ebe93433ac31 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__column_vent_2.obj @@ -0,0 +1,72 @@ +mtllib agilent_1290infinity__column_vent_2.mtl +usemtl agilent_1290infinity__column_vent_2 +# https://github.com/mikedh/trimesh +v 0.21700000 0.07625000 0.56975000 +v 0.21700000 0.07625000 0.57225000 +v 0.21700000 0.09375000 0.56975000 +v 0.21700000 0.09375000 0.57225000 +v 0.21900000 0.07625000 0.56975000 +v 0.21900000 0.07625000 0.57225000 +v 0.21900000 0.09375000 0.56975000 +v 0.21900000 0.09375000 0.57225000 +v 0.21725000 0.07600000 0.56975000 +v 0.21725000 0.07600000 0.57225000 +v 0.21725000 0.09400000 0.56975000 +v 0.21725000 0.09400000 0.57225000 +v 0.21875000 0.07600000 0.56975000 +v 0.21875000 0.07600000 0.57225000 +v 0.21875000 0.09400000 0.56975000 +v 0.21875000 0.09400000 0.57225000 +v 0.21725000 0.07625000 0.56950000 +v 0.21725000 0.07625000 0.57250000 +v 0.21725000 0.09375000 0.56950000 +v 0.21725000 0.09375000 0.57250000 +v 0.21875000 0.07625000 0.56950000 +v 0.21875000 0.07625000 0.57250000 +v 0.21875000 0.09375000 0.56950000 +v 0.21875000 0.09375000 0.57250000 +f 20 12 4 +f 1 17 9 +f 23 15 7 +f 13 21 5 +f 16 24 8 +f 19 3 11 +f 18 2 10 +f 6 22 14 +f 5 7 6 +f 6 7 8 +f 1 2 3 +f 3 2 4 +f 12 3 4 +f 11 3 12 +f 20 2 18 +f 4 2 20 +f 24 6 8 +f 24 22 6 +f 24 20 18 +f 18 22 24 +f 23 7 5 +f 5 21 23 +f 17 21 13 +f 13 9 17 +f 20 24 16 +f 12 20 16 +f 8 7 16 +f 7 15 16 +f 11 12 16 +f 16 15 11 +f 11 15 19 +f 15 23 19 +f 1 3 19 +f 19 17 1 +f 19 23 21 +f 19 21 17 +f 10 2 1 +f 1 9 10 +f 14 22 18 +f 18 10 14 +f 5 6 14 +f 14 13 5 +f 9 13 14 +f 14 10 9 + diff --git a/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__column_vent_3.mtl b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__column_vent_3.mtl new file mode 100644 index 0000000000000000000000000000000000000000..586a49d6f9f1287c39b543f34b3a809acf44e42a --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__column_vent_3.mtl @@ -0,0 +1,6 @@ +newmtl agilent_1290infinity__column_vent_3 +Kd 0.1400 0.1700 0.2000 +Ka 0 0 0 +Ks 0.05 0.05 0.05 +Ns 20 +d 1 diff --git a/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__column_vent_3.obj b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__column_vent_3.obj new file mode 100644 index 0000000000000000000000000000000000000000..01df77182a6924ac22a9a2567f4555f699587c5f --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__column_vent_3.obj @@ -0,0 +1,72 @@ +mtllib agilent_1290infinity__column_vent_3.mtl +usemtl agilent_1290infinity__column_vent_3 +# https://github.com/mikedh/trimesh +v 0.21700000 0.09125000 0.56975000 +v 0.21700000 0.09125000 0.57225000 +v 0.21700000 0.10875000 0.56975000 +v 0.21700000 0.10875000 0.57225000 +v 0.21900000 0.09125000 0.56975000 +v 0.21900000 0.09125000 0.57225000 +v 0.21900000 0.10875000 0.56975000 +v 0.21900000 0.10875000 0.57225000 +v 0.21725000 0.09100000 0.56975000 +v 0.21725000 0.09100000 0.57225000 +v 0.21725000 0.10900000 0.56975000 +v 0.21725000 0.10900000 0.57225000 +v 0.21875000 0.09100000 0.56975000 +v 0.21875000 0.09100000 0.57225000 +v 0.21875000 0.10900000 0.56975000 +v 0.21875000 0.10900000 0.57225000 +v 0.21725000 0.09125000 0.56950000 +v 0.21725000 0.09125000 0.57250000 +v 0.21725000 0.10875000 0.56950000 +v 0.21725000 0.10875000 0.57250000 +v 0.21875000 0.09125000 0.56950000 +v 0.21875000 0.09125000 0.57250000 +v 0.21875000 0.10875000 0.56950000 +v 0.21875000 0.10875000 0.57250000 +f 20 12 4 +f 1 17 9 +f 23 15 7 +f 13 21 5 +f 16 24 8 +f 19 3 11 +f 18 2 10 +f 6 22 14 +f 5 7 6 +f 6 7 8 +f 1 2 3 +f 3 2 4 +f 12 3 4 +f 11 3 12 +f 20 2 18 +f 4 2 20 +f 24 6 8 +f 24 22 6 +f 24 20 18 +f 18 22 24 +f 23 7 5 +f 5 21 23 +f 17 21 13 +f 13 9 17 +f 20 24 16 +f 12 20 16 +f 8 7 16 +f 7 15 16 +f 11 12 16 +f 16 15 11 +f 11 15 19 +f 15 23 19 +f 1 3 19 +f 19 17 1 +f 19 23 21 +f 19 21 17 +f 10 2 1 +f 1 9 10 +f 14 22 18 +f 18 10 14 +f 5 6 14 +f 14 13 5 +f 9 13 14 +f 14 10 9 + diff --git a/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__column_vent_4.mtl b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__column_vent_4.mtl new file mode 100644 index 0000000000000000000000000000000000000000..13bf5b3f5b4b75623f8d675a35b479ce1552346c --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__column_vent_4.mtl @@ -0,0 +1,6 @@ +newmtl agilent_1290infinity__column_vent_4 +Kd 0.1400 0.1700 0.2000 +Ka 0 0 0 +Ks 0.05 0.05 0.05 +Ns 20 +d 1 diff --git a/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__column_vent_4.obj b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__column_vent_4.obj new file mode 100644 index 0000000000000000000000000000000000000000..b42255cc39ef363000c9b7c59c94bc0e7b29ea15 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__column_vent_4.obj @@ -0,0 +1,72 @@ +mtllib agilent_1290infinity__column_vent_4.mtl +usemtl agilent_1290infinity__column_vent_4 +# https://github.com/mikedh/trimesh +v 0.21700000 0.10625000 0.56975000 +v 0.21700000 0.10625000 0.57225000 +v 0.21700000 0.12375000 0.56975000 +v 0.21700000 0.12375000 0.57225000 +v 0.21900000 0.10625000 0.56975000 +v 0.21900000 0.10625000 0.57225000 +v 0.21900000 0.12375000 0.56975000 +v 0.21900000 0.12375000 0.57225000 +v 0.21725000 0.10600000 0.56975000 +v 0.21725000 0.10600000 0.57225000 +v 0.21725000 0.12400000 0.56975000 +v 0.21725000 0.12400000 0.57225000 +v 0.21875000 0.10600000 0.56975000 +v 0.21875000 0.10600000 0.57225000 +v 0.21875000 0.12400000 0.56975000 +v 0.21875000 0.12400000 0.57225000 +v 0.21725000 0.10625000 0.56950000 +v 0.21725000 0.10625000 0.57250000 +v 0.21725000 0.12375000 0.56950000 +v 0.21725000 0.12375000 0.57250000 +v 0.21875000 0.10625000 0.56950000 +v 0.21875000 0.10625000 0.57250000 +v 0.21875000 0.12375000 0.56950000 +v 0.21875000 0.12375000 0.57250000 +f 20 12 4 +f 1 17 9 +f 23 15 7 +f 13 21 5 +f 16 24 8 +f 19 3 11 +f 18 2 10 +f 6 22 14 +f 5 7 6 +f 6 7 8 +f 1 2 3 +f 3 2 4 +f 12 3 4 +f 11 3 12 +f 20 2 18 +f 4 2 20 +f 24 6 8 +f 24 22 6 +f 24 20 18 +f 18 22 24 +f 23 7 5 +f 5 21 23 +f 17 21 13 +f 13 9 17 +f 20 24 16 +f 12 20 16 +f 8 7 16 +f 7 15 16 +f 11 12 16 +f 16 15 11 +f 11 15 19 +f 15 23 19 +f 1 3 19 +f 19 17 1 +f 19 23 21 +f 19 21 17 +f 10 2 1 +f 1 9 10 +f 14 22 18 +f 18 10 14 +f 5 6 14 +f 14 13 5 +f 9 13 14 +f 14 10 9 + diff --git a/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__column_vent_5.mtl b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__column_vent_5.mtl new file mode 100644 index 0000000000000000000000000000000000000000..ab8dd547b0645e5a44dad8aac2585060b7c4a531 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__column_vent_5.mtl @@ -0,0 +1,6 @@ +newmtl agilent_1290infinity__column_vent_5 +Kd 0.1400 0.1700 0.2000 +Ka 0 0 0 +Ks 0.05 0.05 0.05 +Ns 20 +d 1 diff --git a/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__column_vent_5.obj b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__column_vent_5.obj new file mode 100644 index 0000000000000000000000000000000000000000..20c48c7dc03d06215a62876d5c54c0ce092a1555 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__column_vent_5.obj @@ -0,0 +1,72 @@ +mtllib agilent_1290infinity__column_vent_5.mtl +usemtl agilent_1290infinity__column_vent_5 +# https://github.com/mikedh/trimesh +v 0.21700000 0.12125000 0.56975000 +v 0.21700000 0.12125000 0.57225000 +v 0.21700000 0.13875000 0.56975000 +v 0.21700000 0.13875000 0.57225000 +v 0.21900000 0.12125000 0.56975000 +v 0.21900000 0.12125000 0.57225000 +v 0.21900000 0.13875000 0.56975000 +v 0.21900000 0.13875000 0.57225000 +v 0.21725000 0.12100000 0.56975000 +v 0.21725000 0.12100000 0.57225000 +v 0.21725000 0.13900000 0.56975000 +v 0.21725000 0.13900000 0.57225000 +v 0.21875000 0.12100000 0.56975000 +v 0.21875000 0.12100000 0.57225000 +v 0.21875000 0.13900000 0.56975000 +v 0.21875000 0.13900000 0.57225000 +v 0.21725000 0.12125000 0.56950000 +v 0.21725000 0.12125000 0.57250000 +v 0.21725000 0.13875000 0.56950000 +v 0.21725000 0.13875000 0.57250000 +v 0.21875000 0.12125000 0.56950000 +v 0.21875000 0.12125000 0.57250000 +v 0.21875000 0.13875000 0.56950000 +v 0.21875000 0.13875000 0.57250000 +f 20 12 4 +f 1 17 9 +f 23 15 7 +f 13 21 5 +f 16 24 8 +f 19 3 11 +f 18 2 10 +f 6 22 14 +f 5 7 6 +f 6 7 8 +f 1 2 3 +f 3 2 4 +f 12 3 4 +f 11 3 12 +f 20 2 18 +f 4 2 20 +f 24 6 8 +f 24 22 6 +f 24 20 18 +f 18 22 24 +f 23 7 5 +f 5 21 23 +f 17 21 13 +f 13 9 17 +f 20 24 16 +f 12 20 16 +f 8 7 16 +f 7 15 16 +f 11 12 16 +f 16 15 11 +f 11 15 19 +f 15 23 19 +f 1 3 19 +f 19 17 1 +f 19 23 21 +f 19 21 17 +f 10 2 1 +f 1 9 10 +f 14 22 18 +f 18 10 14 +f 5 6 14 +f 14 13 5 +f 9 13 14 +f 14 10 9 + diff --git a/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__column_vent_6.mtl b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__column_vent_6.mtl new file mode 100644 index 0000000000000000000000000000000000000000..1111eb6566259c0f0a2f248365fa3a7bacf637fb --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__column_vent_6.mtl @@ -0,0 +1,6 @@ +newmtl agilent_1290infinity__column_vent_6 +Kd 0.1400 0.1700 0.2000 +Ka 0 0 0 +Ks 0.05 0.05 0.05 +Ns 20 +d 1 diff --git a/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__column_vent_6.obj b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__column_vent_6.obj new file mode 100644 index 0000000000000000000000000000000000000000..8348cbb72495da8da8822f058f6e9e979b226592 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__column_vent_6.obj @@ -0,0 +1,72 @@ +mtllib agilent_1290infinity__column_vent_6.mtl +usemtl agilent_1290infinity__column_vent_6 +# https://github.com/mikedh/trimesh +v 0.21700000 0.13625000 0.56975000 +v 0.21700000 0.13625000 0.57225000 +v 0.21700000 0.15375000 0.56975000 +v 0.21700000 0.15375000 0.57225000 +v 0.21900000 0.13625000 0.56975000 +v 0.21900000 0.13625000 0.57225000 +v 0.21900000 0.15375000 0.56975000 +v 0.21900000 0.15375000 0.57225000 +v 0.21725000 0.13600000 0.56975000 +v 0.21725000 0.13600000 0.57225000 +v 0.21725000 0.15400000 0.56975000 +v 0.21725000 0.15400000 0.57225000 +v 0.21875000 0.13600000 0.56975000 +v 0.21875000 0.13600000 0.57225000 +v 0.21875000 0.15400000 0.56975000 +v 0.21875000 0.15400000 0.57225000 +v 0.21725000 0.13625000 0.56950000 +v 0.21725000 0.13625000 0.57250000 +v 0.21725000 0.15375000 0.56950000 +v 0.21725000 0.15375000 0.57250000 +v 0.21875000 0.13625000 0.56950000 +v 0.21875000 0.13625000 0.57250000 +v 0.21875000 0.15375000 0.56950000 +v 0.21875000 0.15375000 0.57250000 +f 20 12 4 +f 1 17 9 +f 23 15 7 +f 13 21 5 +f 16 24 8 +f 19 3 11 +f 18 2 10 +f 6 22 14 +f 5 7 6 +f 6 7 8 +f 1 2 3 +f 3 2 4 +f 12 3 4 +f 11 3 12 +f 20 2 18 +f 4 2 20 +f 24 6 8 +f 24 22 6 +f 24 20 18 +f 18 22 24 +f 23 7 5 +f 5 21 23 +f 17 21 13 +f 13 9 17 +f 20 24 16 +f 12 20 16 +f 8 7 16 +f 7 15 16 +f 11 12 16 +f 16 15 11 +f 11 15 19 +f 15 23 19 +f 1 3 19 +f 19 17 1 +f 19 23 21 +f 19 21 17 +f 10 2 1 +f 1 9 10 +f 14 22 18 +f 18 10 14 +f 5 6 14 +f 14 13 5 +f 9 13 14 +f 14 10 9 + diff --git a/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__column_vent_7.mtl b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__column_vent_7.mtl new file mode 100644 index 0000000000000000000000000000000000000000..55130411dff75ff091bc54e34facb69ab061aaa5 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__column_vent_7.mtl @@ -0,0 +1,6 @@ +newmtl agilent_1290infinity__column_vent_7 +Kd 0.1400 0.1700 0.2000 +Ka 0 0 0 +Ks 0.05 0.05 0.05 +Ns 20 +d 1 diff --git a/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__column_vent_7.obj b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__column_vent_7.obj new file mode 100644 index 0000000000000000000000000000000000000000..dc60d609fed2bbfa4d7edd184941dc0074cb8df2 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__column_vent_7.obj @@ -0,0 +1,72 @@ +mtllib agilent_1290infinity__column_vent_7.mtl +usemtl agilent_1290infinity__column_vent_7 +# https://github.com/mikedh/trimesh +v 0.21700000 0.15125000 0.56975000 +v 0.21700000 0.15125000 0.57225000 +v 0.21700000 0.16875000 0.56975000 +v 0.21700000 0.16875000 0.57225000 +v 0.21900000 0.15125000 0.56975000 +v 0.21900000 0.15125000 0.57225000 +v 0.21900000 0.16875000 0.56975000 +v 0.21900000 0.16875000 0.57225000 +v 0.21725000 0.15100000 0.56975000 +v 0.21725000 0.15100000 0.57225000 +v 0.21725000 0.16900000 0.56975000 +v 0.21725000 0.16900000 0.57225000 +v 0.21875000 0.15100000 0.56975000 +v 0.21875000 0.15100000 0.57225000 +v 0.21875000 0.16900000 0.56975000 +v 0.21875000 0.16900000 0.57225000 +v 0.21725000 0.15125000 0.56950000 +v 0.21725000 0.15125000 0.57250000 +v 0.21725000 0.16875000 0.56950000 +v 0.21725000 0.16875000 0.57250000 +v 0.21875000 0.15125000 0.56950000 +v 0.21875000 0.15125000 0.57250000 +v 0.21875000 0.16875000 0.56950000 +v 0.21875000 0.16875000 0.57250000 +f 20 12 4 +f 1 17 9 +f 23 15 7 +f 13 21 5 +f 16 24 8 +f 19 3 11 +f 18 2 10 +f 6 22 14 +f 5 7 6 +f 6 7 8 +f 1 2 3 +f 3 2 4 +f 12 3 4 +f 11 3 12 +f 20 2 18 +f 4 2 20 +f 24 6 8 +f 24 22 6 +f 24 20 18 +f 18 22 24 +f 23 7 5 +f 5 21 23 +f 17 21 13 +f 13 9 17 +f 20 24 16 +f 12 20 16 +f 8 7 16 +f 7 15 16 +f 11 12 16 +f 16 15 11 +f 11 15 19 +f 15 23 19 +f 1 3 19 +f 19 17 1 +f 19 23 21 +f 19 21 17 +f 10 2 1 +f 1 9 10 +f 14 22 18 +f 18 10 14 +f 5 6 14 +f 14 13 5 +f 9 13 14 +f 14 10 9 + diff --git a/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__data_port.mtl b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__data_port.mtl new file mode 100644 index 0000000000000000000000000000000000000000..9da30cf3d28b03e1817c38f1e301f35c79914513 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__data_port.mtl @@ -0,0 +1,6 @@ +newmtl agilent_1290infinity__data_port +Kd 0.0350 0.0470 0.0590 +Ka 0 0 0 +Ks 0.05 0.05 0.05 +Ns 20 +d 1 diff --git a/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__data_port.obj b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__data_port.obj new file mode 100644 index 0000000000000000000000000000000000000000..fc217979acc6c90f7c4a6a3e3b6861e68ad53985 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__data_port.obj @@ -0,0 +1,72 @@ +mtllib agilent_1290infinity__data_port.mtl +usemtl agilent_1290infinity__data_port +# https://github.com/mikedh/trimesh +v -0.05600000 0.22050000 0.04650000 +v -0.05600000 0.22050000 0.05950000 +v -0.05600000 0.22350000 0.04650000 +v -0.05600000 0.22350000 0.05950000 +v -0.04000000 0.22050000 0.04650000 +v -0.04000000 0.22050000 0.05950000 +v -0.04000000 0.22350000 0.04650000 +v -0.04000000 0.22350000 0.05950000 +v -0.05550000 0.22000000 0.04650000 +v -0.05550000 0.22000000 0.05950000 +v -0.05550000 0.22400000 0.04650000 +v -0.05550000 0.22400000 0.05950000 +v -0.04050000 0.22000000 0.04650000 +v -0.04050000 0.22000000 0.05950000 +v -0.04050000 0.22400000 0.04650000 +v -0.04050000 0.22400000 0.05950000 +v -0.05550000 0.22050000 0.04600000 +v -0.05550000 0.22050000 0.06000000 +v -0.05550000 0.22350000 0.04600000 +v -0.05550000 0.22350000 0.06000000 +v -0.04050000 0.22050000 0.04600000 +v -0.04050000 0.22050000 0.06000000 +v -0.04050000 0.22350000 0.04600000 +v -0.04050000 0.22350000 0.06000000 +f 1 17 9 +f 20 12 4 +f 7 23 15 +f 19 3 11 +f 24 8 16 +f 14 6 22 +f 18 2 10 +f 13 21 5 +f 1 2 3 +f 3 2 4 +f 16 15 12 +f 12 15 11 +f 12 3 4 +f 11 3 12 +f 4 2 20 +f 20 2 18 +f 7 21 23 +f 5 21 7 +f 7 15 16 +f 16 8 7 +f 11 15 19 +f 15 23 19 +f 23 21 19 +f 19 21 17 +f 1 3 19 +f 19 17 1 +f 5 7 6 +f 6 7 8 +f 24 6 8 +f 22 6 24 +f 16 12 24 +f 12 20 24 +f 24 20 18 +f 18 22 24 +f 10 2 1 +f 1 9 10 +f 10 22 18 +f 10 14 22 +f 5 6 13 +f 6 14 13 +f 17 21 13 +f 13 9 17 +f 13 10 9 +f 14 10 13 + diff --git a/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__door_grip.mtl b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__door_grip.mtl new file mode 100644 index 0000000000000000000000000000000000000000..ce28a6a01c7bb3451e7bd9cc9db20f620020d3ba --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__door_grip.mtl @@ -0,0 +1,6 @@ +newmtl agilent_1290infinity__door_grip +Kd 0.5500 0.5900 0.6200 +Ka 0 0 0 +Ks 0.05 0.05 0.05 +Ns 20 +d 1 diff --git a/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__door_grip.obj b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__door_grip.obj new file mode 100644 index 0000000000000000000000000000000000000000..a7e7f651dab3d2cee49d1c66d67471b8cd6c44a2 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__door_grip.obj @@ -0,0 +1,72 @@ +mtllib agilent_1290infinity__door_grip.mtl +usemtl agilent_1290infinity__door_grip +# https://github.com/mikedh/trimesh +v -0.12100000 -0.01575000 0.08725000 +v -0.12100000 -0.01575000 0.13275000 +v -0.12100000 -0.00825000 0.08725000 +v -0.12100000 -0.00825000 0.13275000 +v -0.11100000 -0.01575000 0.08725000 +v -0.11100000 -0.01575000 0.13275000 +v -0.11100000 -0.00825000 0.08725000 +v -0.11100000 -0.00825000 0.13275000 +v -0.11975000 -0.01700000 0.08725000 +v -0.11975000 -0.01700000 0.13275000 +v -0.11975000 -0.00700000 0.08725000 +v -0.11975000 -0.00700000 0.13275000 +v -0.11225000 -0.01700000 0.08725000 +v -0.11225000 -0.01700000 0.13275000 +v -0.11225000 -0.00700000 0.08725000 +v -0.11225000 -0.00700000 0.13275000 +v -0.11975000 -0.01575000 0.08600000 +v -0.11975000 -0.01575000 0.13400000 +v -0.11975000 -0.00825000 0.08600000 +v -0.11975000 -0.00825000 0.13400000 +v -0.11225000 -0.01575000 0.08600000 +v -0.11225000 -0.01575000 0.13400000 +v -0.11225000 -0.00825000 0.08600000 +v -0.11225000 -0.00825000 0.13400000 +f 20 12 4 +f 1 17 9 +f 23 15 7 +f 13 21 5 +f 8 16 24 +f 19 3 11 +f 18 2 10 +f 6 22 14 +f 5 7 6 +f 6 7 8 +f 1 2 3 +f 3 2 4 +f 12 3 4 +f 11 3 12 +f 20 2 18 +f 4 2 20 +f 8 7 16 +f 7 15 16 +f 11 12 16 +f 16 15 11 +f 23 7 5 +f 5 21 23 +f 17 21 13 +f 13 9 17 +f 24 20 18 +f 18 22 24 +f 24 6 8 +f 24 22 6 +f 24 16 12 +f 12 20 24 +f 1 3 19 +f 19 17 1 +f 19 23 21 +f 19 21 17 +f 11 15 19 +f 15 23 19 +f 10 2 1 +f 1 9 10 +f 14 22 18 +f 18 10 14 +f 5 6 14 +f 14 13 5 +f 9 13 14 +f 14 10 9 + diff --git a/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__drawer_handle.mtl b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__drawer_handle.mtl new file mode 100644 index 0000000000000000000000000000000000000000..a1f6cf757dbfb306ec468841f7a195a27d29d11c --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__drawer_handle.mtl @@ -0,0 +1,6 @@ +newmtl agilent_1290infinity__drawer_handle +Kd 0.5500 0.5900 0.6200 +Ka 0 0 0 +Ks 0.05 0.05 0.05 +Ns 20 +d 1 diff --git a/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__drawer_handle.obj b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__drawer_handle.obj new file mode 100644 index 0000000000000000000000000000000000000000..ebf7a910259a800ce1d3a76b61fd2900286dd172 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__drawer_handle.obj @@ -0,0 +1,72 @@ +mtllib agilent_1290infinity__drawer_handle.mtl +usemtl agilent_1290infinity__drawer_handle +# https://github.com/mikedh/trimesh +v -0.07350000 -0.01750000 0.03850000 +v -0.07350000 -0.01750000 0.04750000 +v -0.07350000 -0.00650000 0.03850000 +v -0.07350000 -0.00650000 0.04750000 +v 0.07350000 -0.01750000 0.03850000 +v 0.07350000 -0.01750000 0.04750000 +v 0.07350000 -0.00650000 0.03850000 +v 0.07350000 -0.00650000 0.04750000 +v -0.07200000 -0.01900000 0.03850000 +v -0.07200000 -0.01900000 0.04750000 +v -0.07200000 -0.00500000 0.03850000 +v -0.07200000 -0.00500000 0.04750000 +v 0.07200000 -0.01900000 0.03850000 +v 0.07200000 -0.01900000 0.04750000 +v 0.07200000 -0.00500000 0.03850000 +v 0.07200000 -0.00500000 0.04750000 +v -0.07200000 -0.01750000 0.03700000 +v -0.07200000 -0.01750000 0.04900000 +v -0.07200000 -0.00650000 0.03700000 +v -0.07200000 -0.00650000 0.04900000 +v 0.07200000 -0.01750000 0.03700000 +v 0.07200000 -0.01750000 0.04900000 +v 0.07200000 -0.00650000 0.03700000 +v 0.07200000 -0.00650000 0.04900000 +f 1 17 9 +f 24 8 16 +f 20 12 4 +f 7 23 15 +f 19 3 11 +f 14 6 22 +f 18 2 10 +f 13 21 5 +f 1 2 3 +f 3 2 4 +f 12 3 4 +f 11 3 12 +f 11 12 16 +f 16 15 11 +f 4 2 20 +f 20 2 18 +f 18 22 20 +f 20 22 24 +f 20 16 12 +f 24 16 20 +f 24 22 6 +f 6 8 24 +f 8 6 7 +f 7 6 5 +f 5 21 7 +f 7 21 23 +f 15 16 7 +f 7 16 8 +f 11 15 19 +f 15 23 19 +f 23 21 19 +f 19 21 17 +f 1 3 19 +f 19 17 1 +f 10 2 1 +f 1 9 10 +f 10 22 18 +f 10 14 22 +f 5 6 13 +f 6 14 13 +f 17 21 13 +f 13 9 17 +f 13 10 9 +f 14 10 13 + diff --git a/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__hotel_front_0.mtl b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__hotel_front_0.mtl new file mode 100644 index 0000000000000000000000000000000000000000..3b7c4721eb1fb1d2bb9163b138dc38dfa223ca5a --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__hotel_front_0.mtl @@ -0,0 +1,6 @@ +newmtl agilent_1290infinity__hotel_front_0 +Kd 0.1400 0.1700 0.2000 +Ka 0 0 0 +Ks 0.05 0.05 0.05 +Ns 20 +d 1 diff --git a/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__hotel_front_0.obj b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__hotel_front_0.obj new file mode 100644 index 0000000000000000000000000000000000000000..027e3ca6971e48ebd0e9546a2f5c42cdbe581a75 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__hotel_front_0.obj @@ -0,0 +1,72 @@ +mtllib agilent_1290infinity__hotel_front_0.mtl +usemtl agilent_1290infinity__hotel_front_0 +# https://github.com/mikedh/trimesh +v -0.18300000 -0.22950000 0.31750000 +v -0.18300000 -0.22950000 0.38250000 +v -0.18300000 -0.22050000 0.31750000 +v -0.18300000 -0.22050000 0.38250000 +v 0.04700000 -0.22950000 0.31750000 +v 0.04700000 -0.22950000 0.38250000 +v 0.04700000 -0.22050000 0.31750000 +v 0.04700000 -0.22050000 0.38250000 +v -0.18150000 -0.23100000 0.31750000 +v -0.18150000 -0.23100000 0.38250000 +v -0.18150000 -0.21900000 0.31750000 +v -0.18150000 -0.21900000 0.38250000 +v 0.04550000 -0.23100000 0.31750000 +v 0.04550000 -0.23100000 0.38250000 +v 0.04550000 -0.21900000 0.31750000 +v 0.04550000 -0.21900000 0.38250000 +v -0.18150000 -0.22950000 0.31600000 +v -0.18150000 -0.22950000 0.38400000 +v -0.18150000 -0.22050000 0.31600000 +v -0.18150000 -0.22050000 0.38400000 +v 0.04550000 -0.22950000 0.31600000 +v 0.04550000 -0.22950000 0.38400000 +v 0.04550000 -0.22050000 0.31600000 +v 0.04550000 -0.22050000 0.38400000 +f 1 17 9 +f 20 12 4 +f 7 23 15 +f 19 3 11 +f 24 8 16 +f 14 6 22 +f 18 2 10 +f 13 21 5 +f 1 2 3 +f 3 2 4 +f 16 15 12 +f 12 15 11 +f 12 3 4 +f 11 3 12 +f 4 2 20 +f 20 2 18 +f 7 21 23 +f 5 21 7 +f 7 15 16 +f 16 8 7 +f 11 15 19 +f 15 23 19 +f 23 21 19 +f 19 21 17 +f 1 3 19 +f 19 17 1 +f 5 7 6 +f 6 7 8 +f 24 6 8 +f 22 6 24 +f 16 12 24 +f 12 20 24 +f 24 20 18 +f 18 22 24 +f 10 2 1 +f 1 9 10 +f 10 22 18 +f 10 14 22 +f 5 6 13 +f 6 14 13 +f 17 21 13 +f 13 9 17 +f 13 10 9 +f 14 10 13 + diff --git a/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__hotel_front_1.mtl b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__hotel_front_1.mtl new file mode 100644 index 0000000000000000000000000000000000000000..e1c565bdcc88a5a93a6a09f309066a7bccfe68ed --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__hotel_front_1.mtl @@ -0,0 +1,6 @@ +newmtl agilent_1290infinity__hotel_front_1 +Kd 0.1400 0.1700 0.2000 +Ka 0 0 0 +Ks 0.05 0.05 0.05 +Ns 20 +d 1 diff --git a/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__hotel_front_1.obj b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__hotel_front_1.obj new file mode 100644 index 0000000000000000000000000000000000000000..27965b3ea2336019bfd56edb98d19575cad40954 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__hotel_front_1.obj @@ -0,0 +1,72 @@ +mtllib agilent_1290infinity__hotel_front_1.mtl +usemtl agilent_1290infinity__hotel_front_1 +# https://github.com/mikedh/trimesh +v -0.18300000 -0.22950000 0.39750000 +v -0.18300000 -0.22950000 0.46250000 +v -0.18300000 -0.22050000 0.39750000 +v -0.18300000 -0.22050000 0.46250000 +v 0.04700000 -0.22950000 0.39750000 +v 0.04700000 -0.22950000 0.46250000 +v 0.04700000 -0.22050000 0.39750000 +v 0.04700000 -0.22050000 0.46250000 +v -0.18150000 -0.23100000 0.39750000 +v -0.18150000 -0.23100000 0.46250000 +v -0.18150000 -0.21900000 0.39750000 +v -0.18150000 -0.21900000 0.46250000 +v 0.04550000 -0.23100000 0.39750000 +v 0.04550000 -0.23100000 0.46250000 +v 0.04550000 -0.21900000 0.39750000 +v 0.04550000 -0.21900000 0.46250000 +v -0.18150000 -0.22950000 0.39600000 +v -0.18150000 -0.22950000 0.46400000 +v -0.18150000 -0.22050000 0.39600000 +v -0.18150000 -0.22050000 0.46400000 +v 0.04550000 -0.22950000 0.39600000 +v 0.04550000 -0.22950000 0.46400000 +v 0.04550000 -0.22050000 0.39600000 +v 0.04550000 -0.22050000 0.46400000 +f 1 17 9 +f 20 12 4 +f 7 23 15 +f 19 3 11 +f 24 8 16 +f 14 6 22 +f 18 2 10 +f 13 21 5 +f 1 2 3 +f 3 2 4 +f 16 15 12 +f 12 15 11 +f 12 3 4 +f 11 3 12 +f 4 2 20 +f 20 2 18 +f 7 21 23 +f 5 21 7 +f 7 15 16 +f 16 8 7 +f 11 15 19 +f 15 23 19 +f 23 21 19 +f 19 21 17 +f 1 3 19 +f 19 17 1 +f 5 7 6 +f 6 7 8 +f 24 6 8 +f 22 6 24 +f 16 12 24 +f 12 20 24 +f 24 20 18 +f 18 22 24 +f 10 2 1 +f 1 9 10 +f 10 22 18 +f 10 14 22 +f 5 6 13 +f 6 14 13 +f 17 21 13 +f 13 9 17 +f 13 10 9 +f 14 10 13 + diff --git a/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__hotel_grip_0.mtl b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__hotel_grip_0.mtl new file mode 100644 index 0000000000000000000000000000000000000000..37af863bb742a50ac6b2384f0f790aef3001593c --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__hotel_grip_0.mtl @@ -0,0 +1,6 @@ +newmtl agilent_1290infinity__hotel_grip_0 +Kd 0.5500 0.5900 0.6200 +Ka 0 0 0 +Ks 0.05 0.05 0.05 +Ns 20 +d 1 diff --git a/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__hotel_grip_0.obj b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__hotel_grip_0.obj new file mode 100644 index 0000000000000000000000000000000000000000..114605b7530efb82b7fda41fa3172765dfe79ad1 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__hotel_grip_0.obj @@ -0,0 +1,72 @@ +mtllib agilent_1290infinity__hotel_grip_0.mtl +usemtl agilent_1290infinity__hotel_grip_0 +# https://github.com/mikedh/trimesh +v -0.14150000 -0.23962500 0.34587500 +v -0.14150000 -0.23962500 0.35412500 +v -0.14150000 -0.22837500 0.34587500 +v -0.14150000 -0.22837500 0.35412500 +v 0.00550000 -0.23962500 0.34587500 +v 0.00550000 -0.23962500 0.35412500 +v 0.00550000 -0.22837500 0.34587500 +v 0.00550000 -0.22837500 0.35412500 +v -0.14012500 -0.24100000 0.34587500 +v -0.14012500 -0.24100000 0.35412500 +v -0.14012500 -0.22700000 0.34587500 +v -0.14012500 -0.22700000 0.35412500 +v 0.00412500 -0.24100000 0.34587500 +v 0.00412500 -0.24100000 0.35412500 +v 0.00412500 -0.22700000 0.34587500 +v 0.00412500 -0.22700000 0.35412500 +v -0.14012500 -0.23962500 0.34450000 +v -0.14012500 -0.23962500 0.35550000 +v -0.14012500 -0.22837500 0.34450000 +v -0.14012500 -0.22837500 0.35550000 +v 0.00412500 -0.23962500 0.34450000 +v 0.00412500 -0.23962500 0.35550000 +v 0.00412500 -0.22837500 0.34450000 +v 0.00412500 -0.22837500 0.35550000 +f 1 17 9 +f 24 8 16 +f 20 12 4 +f 7 23 15 +f 19 3 11 +f 14 6 22 +f 18 2 10 +f 13 21 5 +f 1 2 3 +f 3 2 4 +f 12 3 4 +f 11 3 12 +f 11 12 16 +f 16 15 11 +f 4 2 20 +f 20 2 18 +f 18 22 20 +f 20 22 24 +f 20 16 12 +f 24 16 20 +f 24 22 6 +f 6 8 24 +f 8 6 7 +f 7 6 5 +f 5 21 7 +f 7 21 23 +f 15 16 7 +f 7 16 8 +f 11 15 19 +f 15 23 19 +f 23 21 19 +f 19 21 17 +f 1 3 19 +f 19 17 1 +f 10 2 1 +f 1 9 10 +f 10 22 18 +f 10 14 22 +f 5 6 13 +f 6 14 13 +f 17 21 13 +f 13 9 17 +f 13 10 9 +f 14 10 13 + diff --git a/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__hotel_grip_1.mtl b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__hotel_grip_1.mtl new file mode 100644 index 0000000000000000000000000000000000000000..371ea96e2952afeed7fc63cbb226a43d0f9fe4c0 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__hotel_grip_1.mtl @@ -0,0 +1,6 @@ +newmtl agilent_1290infinity__hotel_grip_1 +Kd 0.5500 0.5900 0.6200 +Ka 0 0 0 +Ks 0.05 0.05 0.05 +Ns 20 +d 1 diff --git a/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__hotel_grip_1.obj b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__hotel_grip_1.obj new file mode 100644 index 0000000000000000000000000000000000000000..75f9094166ad53f335d66b3e5c1d5a7ccd346eeb --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__hotel_grip_1.obj @@ -0,0 +1,72 @@ +mtllib agilent_1290infinity__hotel_grip_1.mtl +usemtl agilent_1290infinity__hotel_grip_1 +# https://github.com/mikedh/trimesh +v -0.14150000 -0.23962500 0.42587500 +v -0.14150000 -0.23962500 0.43412500 +v -0.14150000 -0.22837500 0.42587500 +v -0.14150000 -0.22837500 0.43412500 +v 0.00550000 -0.23962500 0.42587500 +v 0.00550000 -0.23962500 0.43412500 +v 0.00550000 -0.22837500 0.42587500 +v 0.00550000 -0.22837500 0.43412500 +v -0.14012500 -0.24100000 0.42587500 +v -0.14012500 -0.24100000 0.43412500 +v -0.14012500 -0.22700000 0.42587500 +v -0.14012500 -0.22700000 0.43412500 +v 0.00412500 -0.24100000 0.42587500 +v 0.00412500 -0.24100000 0.43412500 +v 0.00412500 -0.22700000 0.42587500 +v 0.00412500 -0.22700000 0.43412500 +v -0.14012500 -0.23962500 0.42450000 +v -0.14012500 -0.23962500 0.43550000 +v -0.14012500 -0.22837500 0.42450000 +v -0.14012500 -0.22837500 0.43550000 +v 0.00412500 -0.23962500 0.42450000 +v 0.00412500 -0.23962500 0.43550000 +v 0.00412500 -0.22837500 0.42450000 +v 0.00412500 -0.22837500 0.43550000 +f 1 17 9 +f 24 8 16 +f 20 12 4 +f 7 23 15 +f 19 3 11 +f 14 6 22 +f 18 2 10 +f 13 21 5 +f 1 2 3 +f 3 2 4 +f 12 3 4 +f 11 3 12 +f 11 12 16 +f 16 15 11 +f 4 2 20 +f 20 2 18 +f 18 22 20 +f 20 22 24 +f 20 16 12 +f 24 16 20 +f 24 22 6 +f 6 8 24 +f 8 6 7 +f 7 6 5 +f 5 21 7 +f 7 21 23 +f 15 16 7 +f 7 16 8 +f 11 15 19 +f 15 23 19 +f 23 21 19 +f 19 21 17 +f 1 3 19 +f 19 17 1 +f 10 2 1 +f 1 9 10 +f 10 22 18 +f 10 14 22 +f 5 6 13 +f 6 14 13 +f 17 21 13 +f 13 9 17 +f 13 10 9 +f 14 10 13 + diff --git a/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__injection_valve.mtl b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__injection_valve.mtl new file mode 100644 index 0000000000000000000000000000000000000000..fc2f14da855103370a4d22f93deedeee125b9c27 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__injection_valve.mtl @@ -0,0 +1,6 @@ +newmtl agilent_1290infinity__injection_valve +Kd 0.5500 0.5900 0.6200 +Ka 0 0 0 +Ks 0.05 0.05 0.05 +Ns 20 +d 1 diff --git a/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__injection_valve.obj b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__injection_valve.obj new file mode 100644 index 0000000000000000000000000000000000000000..b45e98fbb0b0cfe6c9b95032f16fb81b3b205d96 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__injection_valve.obj @@ -0,0 +1,294 @@ +mtllib agilent_1290infinity__injection_valve.mtl +usemtl agilent_1290infinity__injection_valve +# https://github.com/mikedh/trimesh +v 0.11800000 -0.07750000 0.26900000 +v 0.14200000 -0.07750000 0.26900000 +v 0.14200000 -0.10250000 0.26900000 +v 0.11800000 -0.10250000 0.26900000 +v 0.14179468 -0.07750000 0.27213263 +v 0.14179468 -0.10250000 0.27213263 +v 0.14118222 -0.07750000 0.27521166 +v 0.14118222 -0.10250000 0.27521166 +v 0.14017311 -0.07750000 0.27818440 +v 0.14017311 -0.10250000 0.27818440 +v 0.13878461 -0.07750000 0.28100000 +v 0.13878461 -0.10250000 0.28100000 +v 0.13704048 -0.07750000 0.28361027 +v 0.13704048 -0.10250000 0.28361027 +v 0.13497056 -0.07750000 0.28597056 +v 0.13497056 -0.10250000 0.28597056 +v 0.13261027 -0.07750000 0.28804048 +v 0.13261027 -0.10250000 0.28804048 +v 0.13000000 -0.07750000 0.28978461 +v 0.13000000 -0.10250000 0.28978461 +v 0.12718440 -0.07750000 0.29117311 +v 0.12718440 -0.10250000 0.29117311 +v 0.12421166 -0.07750000 0.29218222 +v 0.12421166 -0.10250000 0.29218222 +v 0.12113263 -0.07750000 0.29279468 +v 0.12113263 -0.10250000 0.29279468 +v 0.11800000 -0.07750000 0.29300000 +v 0.11800000 -0.10250000 0.29300000 +v 0.11486737 -0.07750000 0.29279468 +v 0.11486737 -0.10250000 0.29279468 +v 0.11178834 -0.07750000 0.29218222 +v 0.11178834 -0.10250000 0.29218222 +v 0.10881560 -0.07750000 0.29117311 +v 0.10881560 -0.10250000 0.29117311 +v 0.10600000 -0.07750000 0.28978461 +v 0.10600000 -0.10250000 0.28978461 +v 0.10338973 -0.07750000 0.28804048 +v 0.10338973 -0.10250000 0.28804048 +v 0.10102944 -0.07750000 0.28597056 +v 0.10102944 -0.10250000 0.28597056 +v 0.09895952 -0.07750000 0.28361027 +v 0.09895952 -0.10250000 0.28361027 +v 0.09721539 -0.07750000 0.28100000 +v 0.09721539 -0.10250000 0.28100000 +v 0.09582689 -0.07750000 0.27818440 +v 0.09582689 -0.10250000 0.27818440 +v 0.09481778 -0.07750000 0.27521166 +v 0.09481778 -0.10250000 0.27521166 +v 0.09420532 -0.07750000 0.27213263 +v 0.09420532 -0.10250000 0.27213263 +v 0.09400000 -0.07750000 0.26900000 +v 0.09400000 -0.10250000 0.26900000 +v 0.09420532 -0.07750000 0.26586737 +v 0.09420532 -0.10250000 0.26586737 +v 0.09481778 -0.07750000 0.26278834 +v 0.09481778 -0.10250000 0.26278834 +v 0.09582689 -0.07750000 0.25981560 +v 0.09582689 -0.10250000 0.25981560 +v 0.09721539 -0.07750000 0.25700000 +v 0.09721539 -0.10250000 0.25700000 +v 0.09895952 -0.07750000 0.25438973 +v 0.09895952 -0.10250000 0.25438973 +v 0.10102944 -0.07750000 0.25202944 +v 0.10102944 -0.10250000 0.25202944 +v 0.10338973 -0.07750000 0.24995952 +v 0.10338973 -0.10250000 0.24995952 +v 0.10600000 -0.07750000 0.24821539 +v 0.10600000 -0.10250000 0.24821539 +v 0.10881560 -0.07750000 0.24682689 +v 0.10881560 -0.10250000 0.24682689 +v 0.11178834 -0.07750000 0.24581778 +v 0.11178834 -0.10250000 0.24581778 +v 0.11486737 -0.07750000 0.24520532 +v 0.11486737 -0.10250000 0.24520532 +v 0.11800000 -0.07750000 0.24500000 +v 0.11800000 -0.10250000 0.24500000 +v 0.12113263 -0.07750000 0.24520532 +v 0.12113263 -0.10250000 0.24520532 +v 0.12421166 -0.07750000 0.24581778 +v 0.12421166 -0.10250000 0.24581778 +v 0.12718440 -0.07750000 0.24682689 +v 0.12718440 -0.10250000 0.24682689 +v 0.13000000 -0.07750000 0.24821539 +v 0.13000000 -0.10250000 0.24821539 +v 0.13261027 -0.07750000 0.24995952 +v 0.13261027 -0.10250000 0.24995952 +v 0.13497056 -0.07750000 0.25202944 +v 0.13497056 -0.10250000 0.25202944 +v 0.13704048 -0.07750000 0.25438973 +v 0.13704048 -0.10250000 0.25438973 +v 0.13878461 -0.07750000 0.25700000 +v 0.13878461 -0.10250000 0.25700000 +v 0.14017311 -0.07750000 0.25981560 +v 0.14017311 -0.10250000 0.25981560 +v 0.14118222 -0.07750000 0.26278834 +v 0.14118222 -0.10250000 0.26278834 +v 0.14179468 -0.07750000 0.26586737 +v 0.14179468 -0.10250000 0.26586737 +f 2 1 5 +f 2 5 3 +f 3 5 6 +f 3 6 4 +f 5 1 7 +f 5 7 6 +f 6 7 8 +f 6 8 4 +f 7 1 9 +f 7 9 8 +f 8 9 10 +f 8 10 4 +f 9 1 11 +f 9 11 10 +f 10 11 12 +f 10 12 4 +f 11 1 13 +f 11 13 12 +f 12 13 14 +f 12 14 4 +f 13 1 15 +f 13 15 14 +f 14 15 16 +f 14 16 4 +f 15 1 17 +f 15 17 16 +f 16 17 18 +f 16 18 4 +f 17 1 19 +f 17 19 18 +f 18 19 20 +f 18 20 4 +f 19 1 21 +f 19 21 20 +f 20 21 22 +f 20 22 4 +f 21 1 23 +f 21 23 22 +f 22 23 24 +f 22 24 4 +f 23 1 25 +f 23 25 24 +f 24 25 26 +f 24 26 4 +f 25 1 27 +f 25 27 26 +f 26 27 28 +f 26 28 4 +f 27 1 29 +f 27 29 28 +f 28 29 30 +f 28 30 4 +f 29 1 31 +f 29 31 30 +f 30 31 32 +f 30 32 4 +f 31 1 33 +f 31 33 32 +f 32 33 34 +f 32 34 4 +f 33 1 35 +f 33 35 34 +f 34 35 36 +f 34 36 4 +f 35 1 37 +f 35 37 36 +f 36 37 38 +f 36 38 4 +f 37 1 39 +f 37 39 38 +f 38 39 40 +f 38 40 4 +f 39 1 41 +f 39 41 40 +f 40 41 42 +f 40 42 4 +f 41 1 43 +f 41 43 42 +f 42 43 44 +f 42 44 4 +f 43 1 45 +f 43 45 44 +f 44 45 46 +f 44 46 4 +f 45 1 47 +f 45 47 46 +f 46 47 48 +f 46 48 4 +f 47 1 49 +f 47 49 48 +f 48 49 50 +f 48 50 4 +f 49 1 51 +f 49 51 50 +f 50 51 52 +f 50 52 4 +f 51 1 53 +f 51 53 52 +f 52 53 54 +f 52 54 4 +f 53 1 55 +f 53 55 54 +f 54 55 56 +f 54 56 4 +f 55 1 57 +f 55 57 56 +f 56 57 58 +f 56 58 4 +f 57 1 59 +f 57 59 58 +f 58 59 60 +f 58 60 4 +f 59 1 61 +f 59 61 60 +f 60 61 62 +f 60 62 4 +f 61 1 63 +f 61 63 62 +f 62 63 64 +f 62 64 4 +f 63 1 65 +f 63 65 64 +f 64 65 66 +f 64 66 4 +f 65 1 67 +f 65 67 66 +f 66 67 68 +f 66 68 4 +f 67 1 69 +f 67 69 68 +f 68 69 70 +f 68 70 4 +f 69 1 71 +f 69 71 70 +f 70 71 72 +f 70 72 4 +f 71 1 73 +f 71 73 72 +f 72 73 74 +f 72 74 4 +f 73 1 75 +f 73 75 74 +f 74 75 76 +f 74 76 4 +f 75 1 77 +f 75 77 76 +f 76 77 78 +f 76 78 4 +f 77 1 79 +f 77 79 78 +f 78 79 80 +f 78 80 4 +f 79 1 81 +f 79 81 80 +f 80 81 82 +f 80 82 4 +f 81 1 83 +f 81 83 82 +f 82 83 84 +f 82 84 4 +f 83 1 85 +f 83 85 84 +f 84 85 86 +f 84 86 4 +f 85 1 87 +f 85 87 86 +f 86 87 88 +f 86 88 4 +f 87 1 89 +f 87 89 88 +f 88 89 90 +f 88 90 4 +f 89 1 91 +f 89 91 90 +f 90 91 92 +f 90 92 4 +f 91 1 93 +f 91 93 92 +f 92 93 94 +f 92 94 4 +f 93 1 95 +f 93 95 94 +f 94 95 96 +f 94 96 4 +f 95 1 97 +f 95 97 96 +f 96 97 98 +f 96 98 4 +f 97 1 2 +f 97 2 98 +f 98 2 3 +f 98 3 4 + diff --git a/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__led_column.mtl b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__led_column.mtl new file mode 100644 index 0000000000000000000000000000000000000000..54e1ca595d57fc3eae0345884ccab736f8a9dafd --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__led_column.mtl @@ -0,0 +1,6 @@ +newmtl agilent_1290infinity__led_column +Kd 0.0700 0.7000 0.2800 +Ka 0 0 0 +Ks 0.05 0.05 0.05 +Ns 20 +d 1 diff --git a/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__led_column.obj b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__led_column.obj new file mode 100644 index 0000000000000000000000000000000000000000..dadc5a535f829d860909c6c36e0157f527352fd0 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__led_column.obj @@ -0,0 +1,72 @@ +mtllib agilent_1290infinity__led_column.mtl +usemtl agilent_1290infinity__led_column +# https://github.com/mikedh/trimesh +v 0.08250000 -0.22012500 0.63737500 +v 0.08250000 -0.22012500 0.64062500 +v 0.08250000 -0.21787500 0.63737500 +v 0.08250000 -0.21787500 0.64062500 +v 0.15750000 -0.22012500 0.63737500 +v 0.15750000 -0.22012500 0.64062500 +v 0.15750000 -0.21787500 0.63737500 +v 0.15750000 -0.21787500 0.64062500 +v 0.08287500 -0.22050000 0.63737500 +v 0.08287500 -0.22050000 0.64062500 +v 0.08287500 -0.21750000 0.63737500 +v 0.08287500 -0.21750000 0.64062500 +v 0.15712500 -0.22050000 0.63737500 +v 0.15712500 -0.22050000 0.64062500 +v 0.15712500 -0.21750000 0.63737500 +v 0.15712500 -0.21750000 0.64062500 +v 0.08287500 -0.22012500 0.63700000 +v 0.08287500 -0.22012500 0.64100000 +v 0.08287500 -0.21787500 0.63700000 +v 0.08287500 -0.21787500 0.64100000 +v 0.15712500 -0.22012500 0.63700000 +v 0.15712500 -0.22012500 0.64100000 +v 0.15712500 -0.21787500 0.63700000 +v 0.15712500 -0.21787500 0.64100000 +f 1 17 9 +f 20 12 4 +f 7 23 15 +f 19 3 11 +f 24 8 16 +f 14 6 22 +f 18 2 10 +f 13 21 5 +f 1 2 3 +f 3 2 4 +f 16 15 12 +f 12 15 11 +f 12 3 4 +f 11 3 12 +f 4 2 20 +f 20 2 18 +f 7 21 23 +f 5 21 7 +f 7 15 16 +f 16 8 7 +f 11 15 19 +f 15 23 19 +f 23 21 19 +f 19 21 17 +f 1 3 19 +f 19 17 1 +f 5 7 6 +f 6 7 8 +f 24 6 8 +f 22 6 24 +f 16 12 24 +f 12 20 24 +f 24 20 18 +f 18 22 24 +f 10 2 1 +f 1 9 10 +f 10 22 18 +f 10 14 22 +f 5 6 13 +f 6 14 13 +f 17 21 13 +f 13 9 17 +f 13 10 9 +f 14 10 13 + diff --git a/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__led_rid.mtl b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__led_rid.mtl new file mode 100644 index 0000000000000000000000000000000000000000..169c3667dfd6422f87336714394e593b750d46ee --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__led_rid.mtl @@ -0,0 +1,6 @@ +newmtl agilent_1290infinity__led_rid +Kd 0.0700 0.7000 0.2800 +Ka 0 0 0 +Ks 0.05 0.05 0.05 +Ns 20 +d 1 diff --git a/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__led_rid.obj b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__led_rid.obj new file mode 100644 index 0000000000000000000000000000000000000000..b26971ae780379b28b9d4c8a9ea5299d40fd1f86 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__led_rid.obj @@ -0,0 +1,72 @@ +mtllib agilent_1290infinity__led_rid.mtl +usemtl agilent_1290infinity__led_rid +# https://github.com/mikedh/trimesh +v 0.08250000 -0.22012500 0.81737500 +v 0.08250000 -0.22012500 0.82062500 +v 0.08250000 -0.21787500 0.81737500 +v 0.08250000 -0.21787500 0.82062500 +v 0.15750000 -0.22012500 0.81737500 +v 0.15750000 -0.22012500 0.82062500 +v 0.15750000 -0.21787500 0.81737500 +v 0.15750000 -0.21787500 0.82062500 +v 0.08287500 -0.22050000 0.81737500 +v 0.08287500 -0.22050000 0.82062500 +v 0.08287500 -0.21750000 0.81737500 +v 0.08287500 -0.21750000 0.82062500 +v 0.15712500 -0.22050000 0.81737500 +v 0.15712500 -0.22050000 0.82062500 +v 0.15712500 -0.21750000 0.81737500 +v 0.15712500 -0.21750000 0.82062500 +v 0.08287500 -0.22012500 0.81700000 +v 0.08287500 -0.22012500 0.82100000 +v 0.08287500 -0.21787500 0.81700000 +v 0.08287500 -0.21787500 0.82100000 +v 0.15712500 -0.22012500 0.81700000 +v 0.15712500 -0.22012500 0.82100000 +v 0.15712500 -0.21787500 0.81700000 +v 0.15712500 -0.21787500 0.82100000 +f 1 17 9 +f 20 12 4 +f 7 23 15 +f 19 3 11 +f 24 8 16 +f 14 6 22 +f 18 2 10 +f 13 21 5 +f 1 2 3 +f 3 2 4 +f 16 15 12 +f 12 15 11 +f 12 3 4 +f 11 3 12 +f 4 2 20 +f 20 2 18 +f 7 21 23 +f 5 21 7 +f 7 15 16 +f 16 8 7 +f 11 15 19 +f 15 23 19 +f 23 21 19 +f 19 21 17 +f 1 3 19 +f 19 17 1 +f 5 7 6 +f 6 7 8 +f 24 6 8 +f 22 6 24 +f 16 12 24 +f 12 20 24 +f 24 20 18 +f 18 22 24 +f 10 2 1 +f 1 9 10 +f 10 22 18 +f 10 14 22 +f 5 6 13 +f 6 14 13 +f 17 21 13 +f 13 9 17 +f 13 10 9 +f 14 10 13 + diff --git a/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__led_sampler.mtl b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__led_sampler.mtl new file mode 100644 index 0000000000000000000000000000000000000000..e4a63509cfc4d47c4c39672030071a5077f456d0 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__led_sampler.mtl @@ -0,0 +1,6 @@ +newmtl agilent_1290infinity__led_sampler +Kd 0.0700 0.7000 0.2800 +Ka 0 0 0 +Ks 0.05 0.05 0.05 +Ns 20 +d 1 diff --git a/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__led_sampler.obj b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__led_sampler.obj new file mode 100644 index 0000000000000000000000000000000000000000..2bc888241d619764e4f231730f9b8cd5a05141c0 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__led_sampler.obj @@ -0,0 +1,72 @@ +mtllib agilent_1290infinity__led_sampler.mtl +usemtl agilent_1290infinity__led_sampler +# https://github.com/mikedh/trimesh +v 0.08250000 -0.23612500 0.47737500 +v 0.08250000 -0.23612500 0.48062500 +v 0.08250000 -0.23387500 0.47737500 +v 0.08250000 -0.23387500 0.48062500 +v 0.15750000 -0.23612500 0.47737500 +v 0.15750000 -0.23612500 0.48062500 +v 0.15750000 -0.23387500 0.47737500 +v 0.15750000 -0.23387500 0.48062500 +v 0.08287500 -0.23650000 0.47737500 +v 0.08287500 -0.23650000 0.48062500 +v 0.08287500 -0.23350000 0.47737500 +v 0.08287500 -0.23350000 0.48062500 +v 0.15712500 -0.23650000 0.47737500 +v 0.15712500 -0.23650000 0.48062500 +v 0.15712500 -0.23350000 0.47737500 +v 0.15712500 -0.23350000 0.48062500 +v 0.08287500 -0.23612500 0.47700000 +v 0.08287500 -0.23612500 0.48100000 +v 0.08287500 -0.23387500 0.47700000 +v 0.08287500 -0.23387500 0.48100000 +v 0.15712500 -0.23612500 0.47700000 +v 0.15712500 -0.23612500 0.48100000 +v 0.15712500 -0.23387500 0.47700000 +v 0.15712500 -0.23387500 0.48100000 +f 1 17 9 +f 20 12 4 +f 7 23 15 +f 19 3 11 +f 24 8 16 +f 14 6 22 +f 18 2 10 +f 13 21 5 +f 1 2 3 +f 3 2 4 +f 16 15 12 +f 12 15 11 +f 12 3 4 +f 11 3 12 +f 4 2 20 +f 20 2 18 +f 7 21 23 +f 5 21 7 +f 7 15 16 +f 16 8 7 +f 11 15 19 +f 15 23 19 +f 23 21 19 +f 19 21 17 +f 1 3 19 +f 19 17 1 +f 5 7 6 +f 6 7 8 +f 24 6 8 +f 22 6 24 +f 16 12 24 +f 12 20 24 +f 24 20 18 +f 18 22 24 +f 10 2 1 +f 1 9 10 +f 10 22 18 +f 10 14 22 +f 5 6 13 +f 6 14 13 +f 17 21 13 +f 13 9 17 +f 13 10 9 +f 14 10 13 + diff --git a/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__needle.mtl b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__needle.mtl new file mode 100644 index 0000000000000000000000000000000000000000..38815d63aab2c56f850f28f6f6980b8643a9b65d --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__needle.mtl @@ -0,0 +1,6 @@ +newmtl agilent_1290infinity__needle +Kd 0.5500 0.5900 0.6200 +Ka 0 0 0 +Ks 0.05 0.05 0.05 +Ns 20 +d 1 diff --git a/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__needle.obj b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__needle.obj new file mode 100644 index 0000000000000000000000000000000000000000..43818d3c358d991baa641595c1d0996dd7e3e9a6 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__needle.obj @@ -0,0 +1,294 @@ +mtllib agilent_1290infinity__needle.mtl +usemtl agilent_1290infinity__needle +# https://github.com/mikedh/trimesh +v 0.11700000 -0.16500000 0.31950000 +v 0.11820000 -0.16500000 0.31950000 +v 0.11820000 -0.16500000 0.39050000 +v 0.11700000 -0.16500000 0.39050000 +v 0.11818973 -0.16484337 0.31950000 +v 0.11818973 -0.16484337 0.39050000 +v 0.11815911 -0.16468942 0.31950000 +v 0.11815911 -0.16468942 0.39050000 +v 0.11810866 -0.16454078 0.31950000 +v 0.11810866 -0.16454078 0.39050000 +v 0.11803923 -0.16440000 0.31950000 +v 0.11803923 -0.16440000 0.39050000 +v 0.11795202 -0.16426949 0.31950000 +v 0.11795202 -0.16426949 0.39050000 +v 0.11784853 -0.16415147 0.31950000 +v 0.11784853 -0.16415147 0.39050000 +v 0.11773051 -0.16404798 0.31950000 +v 0.11773051 -0.16404798 0.39050000 +v 0.11760000 -0.16396077 0.31950000 +v 0.11760000 -0.16396077 0.39050000 +v 0.11745922 -0.16389134 0.31950000 +v 0.11745922 -0.16389134 0.39050000 +v 0.11731058 -0.16384089 0.31950000 +v 0.11731058 -0.16384089 0.39050000 +v 0.11715663 -0.16381027 0.31950000 +v 0.11715663 -0.16381027 0.39050000 +v 0.11700000 -0.16380000 0.31950000 +v 0.11700000 -0.16380000 0.39050000 +v 0.11684337 -0.16381027 0.31950000 +v 0.11684337 -0.16381027 0.39050000 +v 0.11668942 -0.16384089 0.31950000 +v 0.11668942 -0.16384089 0.39050000 +v 0.11654078 -0.16389134 0.31950000 +v 0.11654078 -0.16389134 0.39050000 +v 0.11640000 -0.16396077 0.31950000 +v 0.11640000 -0.16396077 0.39050000 +v 0.11626949 -0.16404798 0.31950000 +v 0.11626949 -0.16404798 0.39050000 +v 0.11615147 -0.16415147 0.31950000 +v 0.11615147 -0.16415147 0.39050000 +v 0.11604798 -0.16426949 0.31950000 +v 0.11604798 -0.16426949 0.39050000 +v 0.11596077 -0.16440000 0.31950000 +v 0.11596077 -0.16440000 0.39050000 +v 0.11589134 -0.16454078 0.31950000 +v 0.11589134 -0.16454078 0.39050000 +v 0.11584089 -0.16468942 0.31950000 +v 0.11584089 -0.16468942 0.39050000 +v 0.11581027 -0.16484337 0.31950000 +v 0.11581027 -0.16484337 0.39050000 +v 0.11580000 -0.16500000 0.31950000 +v 0.11580000 -0.16500000 0.39050000 +v 0.11581027 -0.16515663 0.31950000 +v 0.11581027 -0.16515663 0.39050000 +v 0.11584089 -0.16531058 0.31950000 +v 0.11584089 -0.16531058 0.39050000 +v 0.11589134 -0.16545922 0.31950000 +v 0.11589134 -0.16545922 0.39050000 +v 0.11596077 -0.16560000 0.31950000 +v 0.11596077 -0.16560000 0.39050000 +v 0.11604798 -0.16573051 0.31950000 +v 0.11604798 -0.16573051 0.39050000 +v 0.11615147 -0.16584853 0.31950000 +v 0.11615147 -0.16584853 0.39050000 +v 0.11626949 -0.16595202 0.31950000 +v 0.11626949 -0.16595202 0.39050000 +v 0.11640000 -0.16603923 0.31950000 +v 0.11640000 -0.16603923 0.39050000 +v 0.11654078 -0.16610866 0.31950000 +v 0.11654078 -0.16610866 0.39050000 +v 0.11668942 -0.16615911 0.31950000 +v 0.11668942 -0.16615911 0.39050000 +v 0.11684337 -0.16618973 0.31950000 +v 0.11684337 -0.16618973 0.39050000 +v 0.11700000 -0.16620000 0.31950000 +v 0.11700000 -0.16620000 0.39050000 +v 0.11715663 -0.16618973 0.31950000 +v 0.11715663 -0.16618973 0.39050000 +v 0.11731058 -0.16615911 0.31950000 +v 0.11731058 -0.16615911 0.39050000 +v 0.11745922 -0.16610866 0.31950000 +v 0.11745922 -0.16610866 0.39050000 +v 0.11760000 -0.16603923 0.31950000 +v 0.11760000 -0.16603923 0.39050000 +v 0.11773051 -0.16595202 0.31950000 +v 0.11773051 -0.16595202 0.39050000 +v 0.11784853 -0.16584853 0.31950000 +v 0.11784853 -0.16584853 0.39050000 +v 0.11795202 -0.16573051 0.31950000 +v 0.11795202 -0.16573051 0.39050000 +v 0.11803923 -0.16560000 0.31950000 +v 0.11803923 -0.16560000 0.39050000 +v 0.11810866 -0.16545922 0.31950000 +v 0.11810866 -0.16545922 0.39050000 +v 0.11815911 -0.16531058 0.31950000 +v 0.11815911 -0.16531058 0.39050000 +v 0.11818973 -0.16515663 0.31950000 +v 0.11818973 -0.16515663 0.39050000 +f 2 1 5 +f 2 5 3 +f 3 5 6 +f 3 6 4 +f 5 1 7 +f 5 7 6 +f 6 7 8 +f 6 8 4 +f 7 1 9 +f 7 9 8 +f 8 9 10 +f 8 10 4 +f 9 1 11 +f 9 11 10 +f 10 11 12 +f 10 12 4 +f 11 1 13 +f 11 13 12 +f 12 13 14 +f 12 14 4 +f 13 1 15 +f 13 15 14 +f 14 15 16 +f 14 16 4 +f 15 1 17 +f 15 17 16 +f 16 17 18 +f 16 18 4 +f 17 1 19 +f 17 19 18 +f 18 19 20 +f 18 20 4 +f 19 1 21 +f 19 21 20 +f 20 21 22 +f 20 22 4 +f 21 1 23 +f 21 23 22 +f 22 23 24 +f 22 24 4 +f 23 1 25 +f 23 25 24 +f 24 25 26 +f 24 26 4 +f 25 1 27 +f 25 27 26 +f 26 27 28 +f 26 28 4 +f 27 1 29 +f 27 29 28 +f 28 29 30 +f 28 30 4 +f 29 1 31 +f 29 31 30 +f 30 31 32 +f 30 32 4 +f 31 1 33 +f 31 33 32 +f 32 33 34 +f 32 34 4 +f 33 1 35 +f 33 35 34 +f 34 35 36 +f 34 36 4 +f 35 1 37 +f 35 37 36 +f 36 37 38 +f 36 38 4 +f 37 1 39 +f 37 39 38 +f 38 39 40 +f 38 40 4 +f 39 1 41 +f 39 41 40 +f 40 41 42 +f 40 42 4 +f 41 1 43 +f 41 43 42 +f 42 43 44 +f 42 44 4 +f 43 1 45 +f 43 45 44 +f 44 45 46 +f 44 46 4 +f 45 1 47 +f 45 47 46 +f 46 47 48 +f 46 48 4 +f 47 1 49 +f 47 49 48 +f 48 49 50 +f 48 50 4 +f 49 1 51 +f 49 51 50 +f 50 51 52 +f 50 52 4 +f 51 1 53 +f 51 53 52 +f 52 53 54 +f 52 54 4 +f 53 1 55 +f 53 55 54 +f 54 55 56 +f 54 56 4 +f 55 1 57 +f 55 57 56 +f 56 57 58 +f 56 58 4 +f 57 1 59 +f 57 59 58 +f 58 59 60 +f 58 60 4 +f 59 1 61 +f 59 61 60 +f 60 61 62 +f 60 62 4 +f 61 1 63 +f 61 63 62 +f 62 63 64 +f 62 64 4 +f 63 1 65 +f 63 65 64 +f 64 65 66 +f 64 66 4 +f 65 1 67 +f 65 67 66 +f 66 67 68 +f 66 68 4 +f 67 1 69 +f 67 69 68 +f 68 69 70 +f 68 70 4 +f 69 1 71 +f 69 71 70 +f 70 71 72 +f 70 72 4 +f 71 1 73 +f 71 73 72 +f 72 73 74 +f 72 74 4 +f 73 1 75 +f 73 75 74 +f 74 75 76 +f 74 76 4 +f 75 1 77 +f 75 77 76 +f 76 77 78 +f 76 78 4 +f 77 1 79 +f 77 79 78 +f 78 79 80 +f 78 80 4 +f 79 1 81 +f 79 81 80 +f 80 81 82 +f 80 82 4 +f 81 1 83 +f 81 83 82 +f 82 83 84 +f 82 84 4 +f 83 1 85 +f 83 85 84 +f 84 85 86 +f 84 86 4 +f 85 1 87 +f 85 87 86 +f 86 87 88 +f 86 88 4 +f 87 1 89 +f 87 89 88 +f 88 89 90 +f 88 90 4 +f 89 1 91 +f 89 91 90 +f 90 91 92 +f 90 92 4 +f 91 1 93 +f 91 93 92 +f 92 93 94 +f 92 94 4 +f 93 1 95 +f 93 95 94 +f 94 95 96 +f 94 96 4 +f 95 1 97 +f 95 97 96 +f 96 97 98 +f 96 98 4 +f 97 1 2 +f 97 2 98 +f 98 2 3 +f 98 3 4 + diff --git a/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__needle_carriage.mtl b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__needle_carriage.mtl new file mode 100644 index 0000000000000000000000000000000000000000..05044cf64c8b3d16c5d5f73ec081840b707dd874 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__needle_carriage.mtl @@ -0,0 +1,6 @@ +newmtl agilent_1290infinity__needle_carriage +Kd 0.1400 0.1700 0.2000 +Ka 0 0 0 +Ks 0.05 0.05 0.05 +Ns 20 +d 1 diff --git a/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__needle_carriage.obj b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__needle_carriage.obj new file mode 100644 index 0000000000000000000000000000000000000000..4b68795c72621f4625689026ee922ad7239dd180 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__needle_carriage.obj @@ -0,0 +1,72 @@ +mtllib agilent_1290infinity__needle_carriage.mtl +usemtl agilent_1290infinity__needle_carriage +# https://github.com/mikedh/trimesh +v 0.08650000 -0.16000000 0.38950000 +v 0.08650000 -0.16000000 0.42450000 +v 0.08650000 -0.13000000 0.38950000 +v 0.08650000 -0.13000000 0.42450000 +v 0.14750000 -0.16000000 0.38950000 +v 0.14750000 -0.16000000 0.42450000 +v 0.14750000 -0.13000000 0.38950000 +v 0.14750000 -0.13000000 0.42450000 +v 0.08900000 -0.16250000 0.38950000 +v 0.08900000 -0.16250000 0.42450000 +v 0.08900000 -0.12750000 0.38950000 +v 0.08900000 -0.12750000 0.42450000 +v 0.14500000 -0.16250000 0.38950000 +v 0.14500000 -0.16250000 0.42450000 +v 0.14500000 -0.12750000 0.38950000 +v 0.14500000 -0.12750000 0.42450000 +v 0.08900000 -0.16000000 0.38700000 +v 0.08900000 -0.16000000 0.42700000 +v 0.08900000 -0.13000000 0.38700000 +v 0.08900000 -0.13000000 0.42700000 +v 0.14500000 -0.16000000 0.38700000 +v 0.14500000 -0.16000000 0.42700000 +v 0.14500000 -0.13000000 0.38700000 +v 0.14500000 -0.13000000 0.42700000 +f 1 17 9 +f 20 12 4 +f 7 23 15 +f 19 3 11 +f 24 8 16 +f 14 6 22 +f 18 2 10 +f 13 21 5 +f 1 2 3 +f 3 2 4 +f 16 15 12 +f 12 15 11 +f 12 3 4 +f 11 3 12 +f 4 2 20 +f 20 2 18 +f 7 21 23 +f 5 21 7 +f 7 15 16 +f 16 8 7 +f 11 15 19 +f 15 23 19 +f 23 21 19 +f 19 21 17 +f 1 3 19 +f 19 17 1 +f 5 7 6 +f 6 7 8 +f 24 6 8 +f 22 6 24 +f 16 12 24 +f 12 20 24 +f 24 20 18 +f 18 22 24 +f 10 2 1 +f 1 9 10 +f 10 22 18 +f 10 14 22 +f 5 6 13 +f 6 14 13 +f 17 21 13 +f 13 9 17 +f 13 10 9 +f 14 10 13 + diff --git a/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__needle_rail.mtl b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__needle_rail.mtl new file mode 100644 index 0000000000000000000000000000000000000000..14154de772999a510a3587985a7f92f2b2d8b02f --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__needle_rail.mtl @@ -0,0 +1,6 @@ +newmtl agilent_1290infinity__needle_rail +Kd 0.5500 0.5900 0.6200 +Ka 0 0 0 +Ks 0.05 0.05 0.05 +Ns 20 +d 1 diff --git a/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__needle_rail.obj b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__needle_rail.obj new file mode 100644 index 0000000000000000000000000000000000000000..0c80b35c35a3791dbc11caaac39255cd222c5c23 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__needle_rail.obj @@ -0,0 +1,72 @@ +mtllib agilent_1290infinity__needle_rail.mtl +usemtl agilent_1290infinity__needle_rail +# https://github.com/mikedh/trimesh +v 0.10600000 -0.13050000 0.25100000 +v 0.10600000 -0.13050000 0.44500000 +v 0.10600000 -0.11150000 0.25100000 +v 0.10600000 -0.11150000 0.44500000 +v 0.12800000 -0.13050000 0.25100000 +v 0.12800000 -0.13050000 0.44500000 +v 0.12800000 -0.11150000 0.25100000 +v 0.12800000 -0.11150000 0.44500000 +v 0.10850000 -0.13300000 0.25100000 +v 0.10850000 -0.13300000 0.44500000 +v 0.10850000 -0.10900000 0.25100000 +v 0.10850000 -0.10900000 0.44500000 +v 0.12550000 -0.13300000 0.25100000 +v 0.12550000 -0.13300000 0.44500000 +v 0.12550000 -0.10900000 0.25100000 +v 0.12550000 -0.10900000 0.44500000 +v 0.10850000 -0.13050000 0.24850000 +v 0.10850000 -0.13050000 0.44750000 +v 0.10850000 -0.11150000 0.24850000 +v 0.10850000 -0.11150000 0.44750000 +v 0.12550000 -0.13050000 0.24850000 +v 0.12550000 -0.13050000 0.44750000 +v 0.12550000 -0.11150000 0.24850000 +v 0.12550000 -0.11150000 0.44750000 +f 20 12 4 +f 1 17 9 +f 23 15 7 +f 13 21 5 +f 16 24 8 +f 19 3 11 +f 18 2 10 +f 6 22 14 +f 5 7 6 +f 6 7 8 +f 1 2 3 +f 3 2 4 +f 12 3 4 +f 11 3 12 +f 20 2 18 +f 4 2 20 +f 24 6 8 +f 24 22 6 +f 24 20 18 +f 18 22 24 +f 23 7 5 +f 5 21 23 +f 17 21 13 +f 13 9 17 +f 20 24 16 +f 12 20 16 +f 8 7 16 +f 7 15 16 +f 11 12 16 +f 16 15 11 +f 11 15 19 +f 15 23 19 +f 1 3 19 +f 19 17 1 +f 19 23 21 +f 19 21 17 +f 10 2 1 +f 1 9 10 +f 14 22 18 +f 18 10 14 +f 5 6 14 +f 14 13 5 +f 9 13 14 +f 14 10 9 + diff --git a/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__needle_seat.mtl b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__needle_seat.mtl new file mode 100644 index 0000000000000000000000000000000000000000..b576af35612099cc91fea2b97a319fe3ceb725e4 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__needle_seat.mtl @@ -0,0 +1,6 @@ +newmtl agilent_1290infinity__needle_seat +Kd 0.0350 0.0470 0.0590 +Ka 0 0 0 +Ks 0.05 0.05 0.05 +Ns 20 +d 1 diff --git a/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__needle_seat.obj b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__needle_seat.obj new file mode 100644 index 0000000000000000000000000000000000000000..2288403c692f419db8e1cbee9f6d70c4c76e951c --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__needle_seat.obj @@ -0,0 +1,294 @@ +mtllib agilent_1290infinity__needle_seat.mtl +usemtl agilent_1290infinity__needle_seat +# https://github.com/mikedh/trimesh +v 0.11700000 -0.16500000 0.30400000 +v 0.12700000 -0.16500000 0.30400000 +v 0.12700000 -0.16500000 0.31600000 +v 0.11700000 -0.16500000 0.31600000 +v 0.12691445 -0.16369474 0.30400000 +v 0.12691445 -0.16369474 0.31600000 +v 0.12665926 -0.16241181 0.30400000 +v 0.12665926 -0.16241181 0.31600000 +v 0.12623880 -0.16117317 0.30400000 +v 0.12623880 -0.16117317 0.31600000 +v 0.12566025 -0.16000000 0.30400000 +v 0.12566025 -0.16000000 0.31600000 +v 0.12493353 -0.15891239 0.30400000 +v 0.12493353 -0.15891239 0.31600000 +v 0.12407107 -0.15792893 0.30400000 +v 0.12407107 -0.15792893 0.31600000 +v 0.12308761 -0.15706647 0.30400000 +v 0.12308761 -0.15706647 0.31600000 +v 0.12200000 -0.15633975 0.30400000 +v 0.12200000 -0.15633975 0.31600000 +v 0.12082683 -0.15576120 0.30400000 +v 0.12082683 -0.15576120 0.31600000 +v 0.11958819 -0.15534074 0.30400000 +v 0.11958819 -0.15534074 0.31600000 +v 0.11830526 -0.15508555 0.30400000 +v 0.11830526 -0.15508555 0.31600000 +v 0.11700000 -0.15500000 0.30400000 +v 0.11700000 -0.15500000 0.31600000 +v 0.11569474 -0.15508555 0.30400000 +v 0.11569474 -0.15508555 0.31600000 +v 0.11441181 -0.15534074 0.30400000 +v 0.11441181 -0.15534074 0.31600000 +v 0.11317317 -0.15576120 0.30400000 +v 0.11317317 -0.15576120 0.31600000 +v 0.11200000 -0.15633975 0.30400000 +v 0.11200000 -0.15633975 0.31600000 +v 0.11091239 -0.15706647 0.30400000 +v 0.11091239 -0.15706647 0.31600000 +v 0.10992893 -0.15792893 0.30400000 +v 0.10992893 -0.15792893 0.31600000 +v 0.10906647 -0.15891239 0.30400000 +v 0.10906647 -0.15891239 0.31600000 +v 0.10833975 -0.16000000 0.30400000 +v 0.10833975 -0.16000000 0.31600000 +v 0.10776120 -0.16117317 0.30400000 +v 0.10776120 -0.16117317 0.31600000 +v 0.10734074 -0.16241181 0.30400000 +v 0.10734074 -0.16241181 0.31600000 +v 0.10708555 -0.16369474 0.30400000 +v 0.10708555 -0.16369474 0.31600000 +v 0.10700000 -0.16500000 0.30400000 +v 0.10700000 -0.16500000 0.31600000 +v 0.10708555 -0.16630526 0.30400000 +v 0.10708555 -0.16630526 0.31600000 +v 0.10734074 -0.16758819 0.30400000 +v 0.10734074 -0.16758819 0.31600000 +v 0.10776120 -0.16882683 0.30400000 +v 0.10776120 -0.16882683 0.31600000 +v 0.10833975 -0.17000000 0.30400000 +v 0.10833975 -0.17000000 0.31600000 +v 0.10906647 -0.17108761 0.30400000 +v 0.10906647 -0.17108761 0.31600000 +v 0.10992893 -0.17207107 0.30400000 +v 0.10992893 -0.17207107 0.31600000 +v 0.11091239 -0.17293353 0.30400000 +v 0.11091239 -0.17293353 0.31600000 +v 0.11200000 -0.17366025 0.30400000 +v 0.11200000 -0.17366025 0.31600000 +v 0.11317317 -0.17423880 0.30400000 +v 0.11317317 -0.17423880 0.31600000 +v 0.11441181 -0.17465926 0.30400000 +v 0.11441181 -0.17465926 0.31600000 +v 0.11569474 -0.17491445 0.30400000 +v 0.11569474 -0.17491445 0.31600000 +v 0.11700000 -0.17500000 0.30400000 +v 0.11700000 -0.17500000 0.31600000 +v 0.11830526 -0.17491445 0.30400000 +v 0.11830526 -0.17491445 0.31600000 +v 0.11958819 -0.17465926 0.30400000 +v 0.11958819 -0.17465926 0.31600000 +v 0.12082683 -0.17423880 0.30400000 +v 0.12082683 -0.17423880 0.31600000 +v 0.12200000 -0.17366025 0.30400000 +v 0.12200000 -0.17366025 0.31600000 +v 0.12308761 -0.17293353 0.30400000 +v 0.12308761 -0.17293353 0.31600000 +v 0.12407107 -0.17207107 0.30400000 +v 0.12407107 -0.17207107 0.31600000 +v 0.12493353 -0.17108761 0.30400000 +v 0.12493353 -0.17108761 0.31600000 +v 0.12566025 -0.17000000 0.30400000 +v 0.12566025 -0.17000000 0.31600000 +v 0.12623880 -0.16882683 0.30400000 +v 0.12623880 -0.16882683 0.31600000 +v 0.12665926 -0.16758819 0.30400000 +v 0.12665926 -0.16758819 0.31600000 +v 0.12691445 -0.16630526 0.30400000 +v 0.12691445 -0.16630526 0.31600000 +f 2 1 5 +f 2 5 3 +f 3 5 6 +f 3 6 4 +f 5 1 7 +f 5 7 6 +f 6 7 8 +f 6 8 4 +f 7 1 9 +f 7 9 8 +f 8 9 10 +f 8 10 4 +f 9 1 11 +f 9 11 10 +f 10 11 12 +f 10 12 4 +f 11 1 13 +f 11 13 12 +f 12 13 14 +f 12 14 4 +f 13 1 15 +f 13 15 14 +f 14 15 16 +f 14 16 4 +f 15 1 17 +f 15 17 16 +f 16 17 18 +f 16 18 4 +f 17 1 19 +f 17 19 18 +f 18 19 20 +f 18 20 4 +f 19 1 21 +f 19 21 20 +f 20 21 22 +f 20 22 4 +f 21 1 23 +f 21 23 22 +f 22 23 24 +f 22 24 4 +f 23 1 25 +f 23 25 24 +f 24 25 26 +f 24 26 4 +f 25 1 27 +f 25 27 26 +f 26 27 28 +f 26 28 4 +f 27 1 29 +f 27 29 28 +f 28 29 30 +f 28 30 4 +f 29 1 31 +f 29 31 30 +f 30 31 32 +f 30 32 4 +f 31 1 33 +f 31 33 32 +f 32 33 34 +f 32 34 4 +f 33 1 35 +f 33 35 34 +f 34 35 36 +f 34 36 4 +f 35 1 37 +f 35 37 36 +f 36 37 38 +f 36 38 4 +f 37 1 39 +f 37 39 38 +f 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81 83 82 +f 82 83 84 +f 82 84 4 +f 83 1 85 +f 83 85 84 +f 84 85 86 +f 84 86 4 +f 85 1 87 +f 85 87 86 +f 86 87 88 +f 86 88 4 +f 87 1 89 +f 87 89 88 +f 88 89 90 +f 88 90 4 +f 89 1 91 +f 89 91 90 +f 90 91 92 +f 90 92 4 +f 91 1 93 +f 91 93 92 +f 92 93 94 +f 92 94 4 +f 93 1 95 +f 93 95 94 +f 94 95 96 +f 94 96 4 +f 95 1 97 +f 95 97 96 +f 96 97 98 +f 96 98 4 +f 97 1 2 +f 97 2 98 +f 98 2 3 +f 98 3 4 + diff --git a/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__power_inlet.mtl b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__power_inlet.mtl new file mode 100644 index 0000000000000000000000000000000000000000..10077ceeed2d5e10374e7878e823c9f24f42a3f1 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__power_inlet.mtl @@ -0,0 +1,6 @@ +newmtl agilent_1290infinity__power_inlet +Kd 0.0350 0.0470 0.0590 +Ka 0 0 0 +Ks 0.05 0.05 0.05 +Ns 20 +d 1 diff --git a/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__power_inlet.obj b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__power_inlet.obj new file mode 100644 index 0000000000000000000000000000000000000000..ba2e06851a02b713d180b739b3e472c5ccc05b69 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__power_inlet.obj @@ -0,0 +1,72 @@ +mtllib agilent_1290infinity__power_inlet.mtl +usemtl agilent_1290infinity__power_inlet +# https://github.com/mikedh/trimesh +v 0.03450000 0.22050000 0.03300000 +v 0.03450000 0.22050000 0.05500000 +v 0.03450000 0.22350000 0.03300000 +v 0.03450000 0.22350000 0.05500000 +v 0.06550000 0.22050000 0.03300000 +v 0.06550000 0.22050000 0.05500000 +v 0.06550000 0.22350000 0.03300000 +v 0.06550000 0.22350000 0.05500000 +v 0.03500000 0.22000000 0.03300000 +v 0.03500000 0.22000000 0.05500000 +v 0.03500000 0.22400000 0.03300000 +v 0.03500000 0.22400000 0.05500000 +v 0.06500000 0.22000000 0.03300000 +v 0.06500000 0.22000000 0.05500000 +v 0.06500000 0.22400000 0.03300000 +v 0.06500000 0.22400000 0.05500000 +v 0.03500000 0.22050000 0.03250000 +v 0.03500000 0.22050000 0.05550000 +v 0.03500000 0.22350000 0.03250000 +v 0.03500000 0.22350000 0.05550000 +v 0.06500000 0.22050000 0.03250000 +v 0.06500000 0.22050000 0.05550000 +v 0.06500000 0.22350000 0.03250000 +v 0.06500000 0.22350000 0.05550000 +f 1 17 9 +f 20 12 4 +f 7 23 15 +f 19 3 11 +f 24 8 16 +f 14 6 22 +f 18 2 10 +f 13 21 5 +f 1 2 3 +f 3 2 4 +f 16 15 12 +f 12 15 11 +f 12 3 4 +f 11 3 12 +f 4 2 20 +f 20 2 18 +f 7 21 23 +f 5 21 7 +f 7 15 16 +f 16 8 7 +f 11 15 19 +f 15 23 19 +f 23 21 19 +f 19 21 17 +f 1 3 19 +f 19 17 1 +f 5 7 6 +f 6 7 8 +f 24 6 8 +f 22 6 24 +f 16 12 24 +f 12 20 24 +f 24 20 18 +f 18 22 24 +f 10 2 1 +f 1 9 10 +f 10 22 18 +f 10 14 22 +f 5 6 13 +f 6 14 13 +f 17 21 13 +f 13 9 17 +f 13 10 9 +f 14 10 13 + diff --git a/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__pump_can_port.mtl b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__pump_can_port.mtl new file mode 100644 index 0000000000000000000000000000000000000000..f84f96d1eb87714902bd712b7f263a1b8ce17489 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__pump_can_port.mtl @@ -0,0 +1,6 @@ +newmtl agilent_1290infinity__pump_can_port +Kd 0.0350 0.0470 0.0590 +Ka 0 0 0 +Ks 0.05 0.05 0.05 +Ns 20 +d 1 diff --git a/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__pump_can_port.obj b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__pump_can_port.obj new file mode 100644 index 0000000000000000000000000000000000000000..860ae0e7b57ee56d2786a2f753cb99d90ce880ae --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__pump_can_port.obj @@ -0,0 +1,72 @@ +mtllib agilent_1290infinity__pump_can_port.mtl +usemtl agilent_1290infinity__pump_can_port +# https://github.com/mikedh/trimesh +v -0.12200000 0.21750000 0.02300000 +v -0.12200000 0.21750000 0.03700000 +v -0.12200000 0.22050000 0.02300000 +v -0.12200000 0.22050000 0.03700000 +v -0.10800000 0.21750000 0.02300000 +v -0.10800000 0.21750000 0.03700000 +v -0.10800000 0.22050000 0.02300000 +v -0.10800000 0.22050000 0.03700000 +v -0.12150000 0.21700000 0.02300000 +v -0.12150000 0.21700000 0.03700000 +v -0.12150000 0.22100000 0.02300000 +v -0.12150000 0.22100000 0.03700000 +v -0.10850000 0.21700000 0.02300000 +v -0.10850000 0.21700000 0.03700000 +v -0.10850000 0.22100000 0.02300000 +v -0.10850000 0.22100000 0.03700000 +v -0.12150000 0.21750000 0.02250000 +v -0.12150000 0.21750000 0.03750000 +v -0.12150000 0.22050000 0.02250000 +v -0.12150000 0.22050000 0.03750000 +v -0.10850000 0.21750000 0.02250000 +v -0.10850000 0.21750000 0.03750000 +v -0.10850000 0.22050000 0.02250000 +v -0.10850000 0.22050000 0.03750000 +f 16 24 8 +f 1 17 9 +f 20 12 4 +f 7 23 15 +f 19 3 11 +f 18 2 10 +f 13 21 5 +f 6 22 14 +f 1 2 3 +f 3 2 4 +f 16 15 12 +f 12 15 11 +f 12 3 4 +f 11 3 12 +f 4 2 20 +f 20 2 18 +f 16 12 20 +f 20 24 16 +f 7 21 23 +f 5 21 7 +f 7 6 5 +f 7 8 6 +f 7 15 16 +f 16 8 7 +f 11 15 19 +f 15 23 19 +f 23 21 19 +f 19 21 17 +f 1 3 19 +f 19 17 1 +f 22 20 18 +f 24 20 22 +f 6 8 22 +f 22 8 24 +f 10 2 1 +f 1 9 10 +f 17 21 13 +f 13 9 17 +f 14 22 18 +f 18 10 14 +f 5 6 14 +f 14 13 5 +f 14 10 9 +f 9 13 14 + diff --git a/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__pump_cap_0.mtl b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__pump_cap_0.mtl new file mode 100644 index 0000000000000000000000000000000000000000..7673ff96ef03c86acb4320bdd339a10aabed67db --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__pump_cap_0.mtl @@ -0,0 +1,6 @@ +newmtl agilent_1290infinity__pump_cap_0 +Kd 0.5500 0.5900 0.6200 +Ka 0 0 0 +Ks 0.05 0.05 0.05 +Ns 20 +d 1 diff --git a/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__pump_cap_0.obj b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__pump_cap_0.obj new file mode 100644 index 0000000000000000000000000000000000000000..db286729a3daeeb03d26c9822ecbc7270918468c --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__pump_cap_0.obj @@ -0,0 +1,294 @@ +mtllib agilent_1290infinity__pump_cap_0.mtl +usemtl agilent_1290infinity__pump_cap_0 +# https://github.com/mikedh/trimesh +v -0.09000000 -0.17700000 0.09500000 +v -0.06300000 -0.17700000 0.09500000 +v -0.06300000 -0.18700000 0.09500000 +v -0.09000000 -0.18700000 0.09500000 +v -0.06323099 -0.17700000 0.09852421 +v -0.06323099 -0.18700000 0.09852421 +v -0.06392000 -0.17700000 0.10198811 +v -0.06392000 -0.18700000 0.10198811 +v -0.06505525 -0.17700000 0.10533245 +v -0.06505525 -0.18700000 0.10533245 +v -0.06661731 -0.17700000 0.10850000 +v -0.06661731 -0.18700000 0.10850000 +v -0.06857946 -0.17700000 0.11143656 +v -0.06857946 -0.18700000 0.11143656 +v -0.07090812 -0.17700000 0.11409188 +v -0.07090812 -0.18700000 0.11409188 +v -0.07356344 -0.17700000 0.11642054 +v -0.07356344 -0.18700000 0.11642054 +v -0.07650000 -0.17700000 0.11838269 +v -0.07650000 -0.18700000 0.11838269 +v -0.07966755 -0.17700000 0.11994475 +v -0.07966755 -0.18700000 0.11994475 +v -0.08301189 -0.17700000 0.12108000 +v -0.08301189 -0.18700000 0.12108000 +v -0.08647579 -0.17700000 0.12176901 +v -0.08647579 -0.18700000 0.12176901 +v -0.09000000 -0.17700000 0.12200000 +v -0.09000000 -0.18700000 0.12200000 +v -0.09352421 -0.17700000 0.12176901 +v -0.09352421 -0.18700000 0.12176901 +v -0.09698811 -0.17700000 0.12108000 +v -0.09698811 -0.18700000 0.12108000 +v -0.10033245 -0.17700000 0.11994475 +v -0.10033245 -0.18700000 0.11994475 +v -0.10350000 -0.17700000 0.11838269 +v -0.10350000 -0.18700000 0.11838269 +v -0.10643656 -0.17700000 0.11642054 +v -0.10643656 -0.18700000 0.11642054 +v -0.10909188 -0.17700000 0.11409188 +v -0.10909188 -0.18700000 0.11409188 +v -0.11142054 -0.17700000 0.11143656 +v -0.11142054 -0.18700000 0.11143656 +v -0.11338269 -0.17700000 0.10850000 +v -0.11338269 -0.18700000 0.10850000 +v -0.11494475 -0.17700000 0.10533245 +v -0.11494475 -0.18700000 0.10533245 +v -0.11608000 -0.17700000 0.10198811 +v -0.11608000 -0.18700000 0.10198811 +v -0.11676901 -0.17700000 0.09852421 +v -0.11676901 -0.18700000 0.09852421 +v -0.11700000 -0.17700000 0.09500000 +v -0.11700000 -0.18700000 0.09500000 +v -0.11676901 -0.17700000 0.09147579 +v -0.11676901 -0.18700000 0.09147579 +v -0.11608000 -0.17700000 0.08801189 +v -0.11608000 -0.18700000 0.08801189 +v -0.11494475 -0.17700000 0.08466755 +v -0.11494475 -0.18700000 0.08466755 +v -0.11338269 -0.17700000 0.08150000 +v -0.11338269 -0.18700000 0.08150000 +v -0.11142054 -0.17700000 0.07856344 +v -0.11142054 -0.18700000 0.07856344 +v -0.10909188 -0.17700000 0.07590812 +v -0.10909188 -0.18700000 0.07590812 +v -0.10643656 -0.17700000 0.07357946 +v -0.10643656 -0.18700000 0.07357946 +v -0.10350000 -0.17700000 0.07161731 +v -0.10350000 -0.18700000 0.07161731 +v -0.10033245 -0.17700000 0.07005525 +v -0.10033245 -0.18700000 0.07005525 +v -0.09698811 -0.17700000 0.06892000 +v -0.09698811 -0.18700000 0.06892000 +v -0.09352421 -0.17700000 0.06823099 +v -0.09352421 -0.18700000 0.06823099 +v -0.09000000 -0.17700000 0.06800000 +v -0.09000000 -0.18700000 0.06800000 +v -0.08647579 -0.17700000 0.06823099 +v -0.08647579 -0.18700000 0.06823099 +v -0.08301189 -0.17700000 0.06892000 +v -0.08301189 -0.18700000 0.06892000 +v -0.07966755 -0.17700000 0.07005525 +v -0.07966755 -0.18700000 0.07005525 +v -0.07650000 -0.17700000 0.07161731 +v -0.07650000 -0.18700000 0.07161731 +v -0.07356344 -0.17700000 0.07357946 +v -0.07356344 -0.18700000 0.07357946 +v -0.07090812 -0.17700000 0.07590812 +v -0.07090812 -0.18700000 0.07590812 +v -0.06857946 -0.17700000 0.07856344 +v -0.06857946 -0.18700000 0.07856344 +v -0.06661731 -0.17700000 0.08150000 +v -0.06661731 -0.18700000 0.08150000 +v -0.06505525 -0.17700000 0.08466755 +v -0.06505525 -0.18700000 0.08466755 +v -0.06392000 -0.17700000 0.08801189 +v -0.06392000 -0.18700000 0.08801189 +v -0.06323099 -0.17700000 0.09147579 +v -0.06323099 -0.18700000 0.09147579 +f 2 1 5 +f 2 5 3 +f 3 5 6 +f 3 6 4 +f 5 1 7 +f 5 7 6 +f 6 7 8 +f 6 8 4 +f 7 1 9 +f 7 9 8 +f 8 9 10 +f 8 10 4 +f 9 1 11 +f 9 11 10 +f 10 11 12 +f 10 12 4 +f 11 1 13 +f 11 13 12 +f 12 13 14 +f 12 14 4 +f 13 1 15 +f 13 15 14 +f 14 15 16 +f 14 16 4 +f 15 1 17 +f 15 17 16 +f 16 17 18 +f 16 18 4 +f 17 1 19 +f 17 19 18 +f 18 19 20 +f 18 20 4 +f 19 1 21 +f 19 21 20 +f 20 21 22 +f 20 22 4 +f 21 1 23 +f 21 23 22 +f 22 23 24 +f 22 24 4 +f 23 1 25 +f 23 25 24 +f 24 25 26 +f 24 26 4 +f 25 1 27 +f 25 27 26 +f 26 27 28 +f 26 28 4 +f 27 1 29 +f 27 29 28 +f 28 29 30 +f 28 30 4 +f 29 1 31 +f 29 31 30 +f 30 31 32 +f 30 32 4 +f 31 1 33 +f 31 33 32 +f 32 33 34 +f 32 34 4 +f 33 1 35 +f 33 35 34 +f 34 35 36 +f 34 36 4 +f 35 1 37 +f 35 37 36 +f 36 37 38 +f 36 38 4 +f 37 1 39 +f 37 39 38 +f 38 39 40 +f 38 40 4 +f 39 1 41 +f 39 41 40 +f 40 41 42 +f 40 42 4 +f 41 1 43 +f 41 43 42 +f 42 43 44 +f 42 44 4 +f 43 1 45 +f 43 45 44 +f 44 45 46 +f 44 46 4 +f 45 1 47 +f 45 47 46 +f 46 47 48 +f 46 48 4 +f 47 1 49 +f 47 49 48 +f 48 49 50 +f 48 50 4 +f 49 1 51 +f 49 51 50 +f 50 51 52 +f 50 52 4 +f 51 1 53 +f 51 53 52 +f 52 53 54 +f 52 54 4 +f 53 1 55 +f 53 55 54 +f 54 55 56 +f 54 56 4 +f 55 1 57 +f 55 57 56 +f 56 57 58 +f 56 58 4 +f 57 1 59 +f 57 59 58 +f 58 59 60 +f 58 60 4 +f 59 1 61 +f 59 61 60 +f 60 61 62 +f 60 62 4 +f 61 1 63 +f 61 63 62 +f 62 63 64 +f 62 64 4 +f 63 1 65 +f 63 65 64 +f 64 65 66 +f 64 66 4 +f 65 1 67 +f 65 67 66 +f 66 67 68 +f 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0000000000000000000000000000000000000000..3d12761c220b8f90b303201347a65f23db7a4354 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__pump_cap_1.mtl @@ -0,0 +1,6 @@ +newmtl agilent_1290infinity__pump_cap_1 +Kd 0.5500 0.5900 0.6200 +Ka 0 0 0 +Ks 0.05 0.05 0.05 +Ns 20 +d 1 diff --git a/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__pump_cap_1.obj b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__pump_cap_1.obj new file mode 100644 index 0000000000000000000000000000000000000000..4e87a281faf63fa1f7fd325ced5bfe2ab248525f --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__pump_cap_1.obj @@ -0,0 +1,294 @@ +mtllib agilent_1290infinity__pump_cap_1.mtl +usemtl agilent_1290infinity__pump_cap_1 +# https://github.com/mikedh/trimesh +v 0.09000000 -0.17700000 0.09500000 +v 0.11700000 -0.17700000 0.09500000 +v 0.11700000 -0.18700000 0.09500000 +v 0.09000000 -0.18700000 0.09500000 +v 0.11676901 -0.17700000 0.09852421 +v 0.11676901 -0.18700000 0.09852421 +v 0.11608000 -0.17700000 0.10198811 +v 0.11608000 -0.18700000 0.10198811 +v 0.11494475 -0.17700000 0.10533245 +v 0.11494475 -0.18700000 0.10533245 +v 0.11338269 -0.17700000 0.10850000 +v 0.11338269 -0.18700000 0.10850000 +v 0.11142054 -0.17700000 0.11143656 +v 0.11142054 -0.18700000 0.11143656 +v 0.10909188 -0.17700000 0.11409188 +v 0.10909188 -0.18700000 0.11409188 +v 0.10643656 -0.17700000 0.11642054 +v 0.10643656 -0.18700000 0.11642054 +v 0.10350000 -0.17700000 0.11838269 +v 0.10350000 -0.18700000 0.11838269 +v 0.10033245 -0.17700000 0.11994475 +v 0.10033245 -0.18700000 0.11994475 +v 0.09698811 -0.17700000 0.12108000 +v 0.09698811 -0.18700000 0.12108000 +v 0.09352421 -0.17700000 0.12176901 +v 0.09352421 -0.18700000 0.12176901 +v 0.09000000 -0.17700000 0.12200000 +v 0.09000000 -0.18700000 0.12200000 +v 0.08647579 -0.17700000 0.12176901 +v 0.08647579 -0.18700000 0.12176901 +v 0.08301189 -0.17700000 0.12108000 +v 0.08301189 -0.18700000 0.12108000 +v 0.07966755 -0.17700000 0.11994475 +v 0.07966755 -0.18700000 0.11994475 +v 0.07650000 -0.17700000 0.11838269 +v 0.07650000 -0.18700000 0.11838269 +v 0.07356344 -0.17700000 0.11642054 +v 0.07356344 -0.18700000 0.11642054 +v 0.07090812 -0.17700000 0.11409188 +v 0.07090812 -0.18700000 0.11409188 +v 0.06857946 -0.17700000 0.11143656 +v 0.06857946 -0.18700000 0.11143656 +v 0.06661731 -0.17700000 0.10850000 +v 0.06661731 -0.18700000 0.10850000 +v 0.06505525 -0.17700000 0.10533245 +v 0.06505525 -0.18700000 0.10533245 +v 0.06392000 -0.17700000 0.10198811 +v 0.06392000 -0.18700000 0.10198811 +v 0.06323099 -0.17700000 0.09852421 +v 0.06323099 -0.18700000 0.09852421 +v 0.06300000 -0.17700000 0.09500000 +v 0.06300000 -0.18700000 0.09500000 +v 0.06323099 -0.17700000 0.09147579 +v 0.06323099 -0.18700000 0.09147579 +v 0.06392000 -0.17700000 0.08801189 +v 0.06392000 -0.18700000 0.08801189 +v 0.06505525 -0.17700000 0.08466755 +v 0.06505525 -0.18700000 0.08466755 +v 0.06661731 -0.17700000 0.08150000 +v 0.06661731 -0.18700000 0.08150000 +v 0.06857946 -0.17700000 0.07856344 +v 0.06857946 -0.18700000 0.07856344 +v 0.07090812 -0.17700000 0.07590812 +v 0.07090812 -0.18700000 0.07590812 +v 0.07356344 -0.17700000 0.07357946 +v 0.07356344 -0.18700000 0.07357946 +v 0.07650000 -0.17700000 0.07161731 +v 0.07650000 -0.18700000 0.07161731 +v 0.07966755 -0.17700000 0.07005525 +v 0.07966755 -0.18700000 0.07005525 +v 0.08301189 -0.17700000 0.06892000 +v 0.08301189 -0.18700000 0.06892000 +v 0.08647579 -0.17700000 0.06823099 +v 0.08647579 -0.18700000 0.06823099 +v 0.09000000 -0.17700000 0.06800000 +v 0.09000000 -0.18700000 0.06800000 +v 0.09352421 -0.17700000 0.06823099 +v 0.09352421 -0.18700000 0.06823099 +v 0.09698811 -0.17700000 0.06892000 +v 0.09698811 -0.18700000 0.06892000 +v 0.10033245 -0.17700000 0.07005525 +v 0.10033245 -0.18700000 0.07005525 +v 0.10350000 -0.17700000 0.07161731 +v 0.10350000 -0.18700000 0.07161731 +v 0.10643656 -0.17700000 0.07357946 +v 0.10643656 -0.18700000 0.07357946 +v 0.10909188 -0.17700000 0.07590812 +v 0.10909188 -0.18700000 0.07590812 +v 0.11142054 -0.17700000 0.07856344 +v 0.11142054 -0.18700000 0.07856344 +v 0.11338269 -0.17700000 0.08150000 +v 0.11338269 -0.18700000 0.08150000 +v 0.11494475 -0.17700000 0.08466755 +v 0.11494475 -0.18700000 0.08466755 +v 0.11608000 -0.17700000 0.08801189 +v 0.11608000 -0.18700000 0.08801189 +v 0.11676901 -0.17700000 0.09147579 +v 0.11676901 -0.18700000 0.09147579 +f 2 1 5 +f 2 5 3 +f 3 5 6 +f 3 6 4 +f 5 1 7 +f 5 7 6 +f 6 7 8 +f 6 8 4 +f 7 1 9 +f 7 9 8 +f 8 9 10 +f 8 10 4 +f 9 1 11 +f 9 11 10 +f 10 11 12 +f 10 12 4 +f 11 1 13 +f 11 13 12 +f 12 13 14 +f 12 14 4 +f 13 1 15 +f 13 15 14 +f 14 15 16 +f 14 16 4 +f 15 1 17 +f 15 17 16 +f 16 17 18 +f 16 18 4 +f 17 1 19 +f 17 19 18 +f 18 19 20 +f 18 20 4 +f 19 1 21 +f 19 21 20 +f 20 21 22 +f 20 22 4 +f 21 1 23 +f 21 23 22 +f 22 23 24 +f 22 24 4 +f 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66 68 4 +f 67 1 69 +f 67 69 68 +f 68 69 70 +f 68 70 4 +f 69 1 71 +f 69 71 70 +f 70 71 72 +f 70 72 4 +f 71 1 73 +f 71 73 72 +f 72 73 74 +f 72 74 4 +f 73 1 75 +f 73 75 74 +f 74 75 76 +f 74 76 4 +f 75 1 77 +f 75 77 76 +f 76 77 78 +f 76 78 4 +f 77 1 79 +f 77 79 78 +f 78 79 80 +f 78 80 4 +f 79 1 81 +f 79 81 80 +f 80 81 82 +f 80 82 4 +f 81 1 83 +f 81 83 82 +f 82 83 84 +f 82 84 4 +f 83 1 85 +f 83 85 84 +f 84 85 86 +f 84 86 4 +f 85 1 87 +f 85 87 86 +f 86 87 88 +f 86 88 4 +f 87 1 89 +f 87 89 88 +f 88 89 90 +f 88 90 4 +f 89 1 91 +f 89 91 90 +f 90 91 92 +f 90 92 4 +f 91 1 93 +f 91 93 92 +f 92 93 94 +f 92 94 4 +f 93 1 95 +f 93 95 94 +f 94 95 96 +f 94 96 4 +f 95 1 97 +f 95 97 96 +f 96 97 98 +f 96 98 4 +f 97 1 2 +f 97 2 98 +f 98 2 3 +f 98 3 4 + diff --git a/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__pump_drive.mtl b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__pump_drive.mtl new file mode 100644 index 0000000000000000000000000000000000000000..aa7cb2925da530a14ea920c34b7d21b1d75cab09 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__pump_drive.mtl @@ -0,0 +1,6 @@ +newmtl agilent_1290infinity__pump_drive +Kd 0.1400 0.1700 0.2000 +Ka 0 0 0 +Ks 0.05 0.05 0.05 +Ns 20 +d 1 diff --git a/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__pump_drive.obj b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__pump_drive.obj new file mode 100644 index 0000000000000000000000000000000000000000..a46e952e88ed1398a5b6f2dc70e9ec713b6e7653 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__pump_drive.obj @@ -0,0 +1,72 @@ +mtllib agilent_1290infinity__pump_drive.mtl +usemtl agilent_1290infinity__pump_drive +# https://github.com/mikedh/trimesh +v -0.14500000 -0.01250000 0.04250000 +v -0.14500000 -0.01250000 0.14750000 +v -0.14500000 0.15250000 0.04250000 +v -0.14500000 0.15250000 0.14750000 +v 0.14500000 -0.01250000 0.04250000 +v 0.14500000 -0.01250000 0.14750000 +v 0.14500000 0.15250000 0.04250000 +v 0.14500000 0.15250000 0.14750000 +v -0.14250000 -0.01500000 0.04250000 +v -0.14250000 -0.01500000 0.14750000 +v -0.14250000 0.15500000 0.04250000 +v -0.14250000 0.15500000 0.14750000 +v 0.14250000 -0.01500000 0.04250000 +v 0.14250000 -0.01500000 0.14750000 +v 0.14250000 0.15500000 0.04250000 +v 0.14250000 0.15500000 0.14750000 +v -0.14250000 -0.01250000 0.04000000 +v -0.14250000 -0.01250000 0.15000000 +v -0.14250000 0.15250000 0.04000000 +v -0.14250000 0.15250000 0.15000000 +v 0.14250000 -0.01250000 0.04000000 +v 0.14250000 -0.01250000 0.15000000 +v 0.14250000 0.15250000 0.04000000 +v 0.14250000 0.15250000 0.15000000 +f 1 17 9 +f 24 8 16 +f 20 12 4 +f 7 23 15 +f 19 3 11 +f 14 6 22 +f 18 2 10 +f 13 21 5 +f 1 2 3 +f 3 2 4 +f 12 3 4 +f 11 3 12 +f 11 12 16 +f 16 15 11 +f 4 2 20 +f 20 2 18 +f 18 22 20 +f 20 22 24 +f 20 16 12 +f 24 16 20 +f 24 22 6 +f 6 8 24 +f 8 6 7 +f 7 6 5 +f 5 21 7 +f 7 21 23 +f 15 16 7 +f 7 16 8 +f 11 15 19 +f 15 23 19 +f 23 21 19 +f 19 21 17 +f 1 3 19 +f 19 17 1 +f 10 2 1 +f 1 9 10 +f 10 22 18 +f 10 14 22 +f 5 6 13 +f 6 14 13 +f 17 21 13 +f 13 9 17 +f 13 10 9 +f 14 10 13 + diff --git a/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__pump_front.mtl b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__pump_front.mtl new file mode 100644 index 0000000000000000000000000000000000000000..c57ad08977444467be8403205a85230ef23a0335 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__pump_front.mtl @@ -0,0 +1,6 @@ +newmtl agilent_1290infinity__pump_front +Kd 0.1400 0.1700 0.2000 +Ka 0 0 0 +Ks 0.05 0.05 0.05 +Ns 20 +d 1 diff --git a/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__pump_front.obj b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__pump_front.obj new file mode 100644 index 0000000000000000000000000000000000000000..0186948de4eed0d7651ed855867700a6cf64b306 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__pump_front.obj @@ -0,0 +1,72 @@ +mtllib agilent_1290infinity__pump_front.mtl +usemtl agilent_1290infinity__pump_front +# https://github.com/mikedh/trimesh +v -0.18000000 -0.21187500 0.02012500 +v -0.18000000 -0.21187500 0.14587500 +v -0.18000000 -0.20212500 0.02012500 +v -0.18000000 -0.20212500 0.14587500 +v 0.18000000 -0.21187500 0.02012500 +v 0.18000000 -0.21187500 0.14587500 +v 0.18000000 -0.20212500 0.02012500 +v 0.18000000 -0.20212500 0.14587500 +v -0.17837500 -0.21350000 0.02012500 +v -0.17837500 -0.21350000 0.14587500 +v -0.17837500 -0.20050000 0.02012500 +v -0.17837500 -0.20050000 0.14587500 +v 0.17837500 -0.21350000 0.02012500 +v 0.17837500 -0.21350000 0.14587500 +v 0.17837500 -0.20050000 0.02012500 +v 0.17837500 -0.20050000 0.14587500 +v -0.17837500 -0.21187500 0.01850000 +v -0.17837500 -0.21187500 0.14750000 +v -0.17837500 -0.20212500 0.01850000 +v -0.17837500 -0.20212500 0.14750000 +v 0.17837500 -0.21187500 0.01850000 +v 0.17837500 -0.21187500 0.14750000 +v 0.17837500 -0.20212500 0.01850000 +v 0.17837500 -0.20212500 0.14750000 +f 1 17 9 +f 20 12 4 +f 7 23 15 +f 19 3 11 +f 24 8 16 +f 14 6 22 +f 18 2 10 +f 13 21 5 +f 1 2 3 +f 3 2 4 +f 16 15 12 +f 12 15 11 +f 12 3 4 +f 11 3 12 +f 4 2 20 +f 20 2 18 +f 7 21 23 +f 5 21 7 +f 7 15 16 +f 16 8 7 +f 11 15 19 +f 15 23 19 +f 23 21 19 +f 19 21 17 +f 1 3 19 +f 19 17 1 +f 5 7 6 +f 6 7 8 +f 24 6 8 +f 22 6 24 +f 16 12 24 +f 12 20 24 +f 24 20 18 +f 18 22 24 +f 10 2 1 +f 1 9 10 +f 10 22 18 +f 10 14 22 +f 5 6 13 +f 6 14 13 +f 17 21 13 +f 13 9 17 +f 13 10 9 +f 14 10 13 + diff --git a/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__pump_head_0.mtl b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__pump_head_0.mtl new file mode 100644 index 0000000000000000000000000000000000000000..5af665099faf5b766fc70863508b000ae1d407a1 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__pump_head_0.mtl @@ -0,0 +1,6 @@ +newmtl agilent_1290infinity__pump_head_0 +Kd 0.5500 0.5900 0.6200 +Ka 0 0 0 +Ks 0.05 0.05 0.05 +Ns 20 +d 1 diff --git a/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__pump_head_0.obj b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__pump_head_0.obj new file mode 100644 index 0000000000000000000000000000000000000000..467ea4afd7af7c2b4a023d3373d1241272006a80 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__pump_head_0.obj @@ -0,0 +1,72 @@ +mtllib agilent_1290infinity__pump_head_0.mtl +usemtl agilent_1290infinity__pump_head_0 +# https://github.com/mikedh/trimesh +v -0.13000000 -0.17000000 0.05450000 +v -0.13000000 -0.17000000 0.13150000 +v -0.13000000 -0.11000000 0.05450000 +v -0.13000000 -0.11000000 0.13150000 +v -0.05000000 -0.17000000 0.05450000 +v -0.05000000 -0.17000000 0.13150000 +v -0.05000000 -0.11000000 0.05450000 +v -0.05000000 -0.11000000 0.13150000 +v -0.12750000 -0.17250000 0.05450000 +v -0.12750000 -0.17250000 0.13150000 +v -0.12750000 -0.10750000 0.05450000 +v -0.12750000 -0.10750000 0.13150000 +v -0.05250000 -0.17250000 0.05450000 +v -0.05250000 -0.17250000 0.13150000 +v -0.05250000 -0.10750000 0.05450000 +v -0.05250000 -0.10750000 0.13150000 +v -0.12750000 -0.17000000 0.05200000 +v -0.12750000 -0.17000000 0.13400000 +v -0.12750000 -0.11000000 0.05200000 +v -0.12750000 -0.11000000 0.13400000 +v -0.05250000 -0.17000000 0.05200000 +v -0.05250000 -0.17000000 0.13400000 +v -0.05250000 -0.11000000 0.05200000 +v -0.05250000 -0.11000000 0.13400000 +f 16 24 8 +f 1 17 9 +f 20 12 4 +f 7 23 15 +f 19 3 11 +f 18 2 10 +f 13 21 5 +f 6 22 14 +f 1 2 3 +f 3 2 4 +f 16 15 12 +f 12 15 11 +f 12 3 4 +f 11 3 12 +f 4 2 20 +f 20 2 18 +f 16 12 20 +f 20 24 16 +f 7 21 23 +f 5 21 7 +f 7 6 5 +f 7 8 6 +f 7 15 16 +f 16 8 7 +f 11 15 19 +f 15 23 19 +f 23 21 19 +f 19 21 17 +f 1 3 19 +f 19 17 1 +f 22 20 18 +f 24 20 22 +f 6 8 22 +f 22 8 24 +f 10 2 1 +f 1 9 10 +f 17 21 13 +f 13 9 17 +f 14 22 18 +f 18 10 14 +f 5 6 14 +f 14 13 5 +f 14 10 9 +f 9 13 14 + diff --git a/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__pump_head_1.mtl b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__pump_head_1.mtl new file mode 100644 index 0000000000000000000000000000000000000000..1c687b47a54ef388c36de528c06ab03e9480db99 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__pump_head_1.mtl @@ -0,0 +1,6 @@ +newmtl agilent_1290infinity__pump_head_1 +Kd 0.5500 0.5900 0.6200 +Ka 0 0 0 +Ks 0.05 0.05 0.05 +Ns 20 +d 1 diff --git a/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__pump_head_1.obj b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__pump_head_1.obj new file mode 100644 index 0000000000000000000000000000000000000000..682e16729424ae139e2f40fdef90315185c49242 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__pump_head_1.obj @@ -0,0 +1,72 @@ +mtllib agilent_1290infinity__pump_head_1.mtl +usemtl agilent_1290infinity__pump_head_1 +# https://github.com/mikedh/trimesh +v 0.05000000 -0.17000000 0.05450000 +v 0.05000000 -0.17000000 0.13150000 +v 0.05000000 -0.11000000 0.05450000 +v 0.05000000 -0.11000000 0.13150000 +v 0.13000000 -0.17000000 0.05450000 +v 0.13000000 -0.17000000 0.13150000 +v 0.13000000 -0.11000000 0.05450000 +v 0.13000000 -0.11000000 0.13150000 +v 0.05250000 -0.17250000 0.05450000 +v 0.05250000 -0.17250000 0.13150000 +v 0.05250000 -0.10750000 0.05450000 +v 0.05250000 -0.10750000 0.13150000 +v 0.12750000 -0.17250000 0.05450000 +v 0.12750000 -0.17250000 0.13150000 +v 0.12750000 -0.10750000 0.05450000 +v 0.12750000 -0.10750000 0.13150000 +v 0.05250000 -0.17000000 0.05200000 +v 0.05250000 -0.17000000 0.13400000 +v 0.05250000 -0.11000000 0.05200000 +v 0.05250000 -0.11000000 0.13400000 +v 0.12750000 -0.17000000 0.05200000 +v 0.12750000 -0.17000000 0.13400000 +v 0.12750000 -0.11000000 0.05200000 +v 0.12750000 -0.11000000 0.13400000 +f 16 24 8 +f 1 17 9 +f 20 12 4 +f 7 23 15 +f 19 3 11 +f 18 2 10 +f 13 21 5 +f 6 22 14 +f 1 2 3 +f 3 2 4 +f 16 15 12 +f 12 15 11 +f 12 3 4 +f 11 3 12 +f 4 2 20 +f 20 2 18 +f 16 12 20 +f 20 24 16 +f 7 21 23 +f 5 21 7 +f 7 6 5 +f 7 8 6 +f 7 15 16 +f 16 8 7 +f 11 15 19 +f 15 23 19 +f 23 21 19 +f 19 21 17 +f 1 3 19 +f 19 17 1 +f 22 20 18 +f 24 20 22 +f 6 8 22 +f 22 8 24 +f 10 2 1 +f 1 9 10 +f 17 21 13 +f 13 9 17 +f 14 22 18 +f 18 10 14 +f 5 6 14 +f 14 13 5 +f 14 10 9 +f 9 13 14 + diff --git a/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__pump_mixer.mtl b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__pump_mixer.mtl new file mode 100644 index 0000000000000000000000000000000000000000..cc853a7cf6f8c0c7f9cf27ec6aac27caf77f5e2b --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__pump_mixer.mtl @@ -0,0 +1,6 @@ +newmtl agilent_1290infinity__pump_mixer +Kd 0.0350 0.0470 0.0590 +Ka 0 0 0 +Ks 0.05 0.05 0.05 +Ns 20 +d 1 diff --git a/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__pump_mixer.obj b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__pump_mixer.obj new file mode 100644 index 0000000000000000000000000000000000000000..3b784fb75fa524d7ebe47cd0358465ef7310ab37 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__pump_mixer.obj @@ -0,0 +1,72 @@ +mtllib agilent_1290infinity__pump_mixer.mtl +usemtl agilent_1290infinity__pump_mixer +# https://github.com/mikedh/trimesh +v -0.02250000 -0.14250000 0.05450000 +v -0.02250000 -0.14250000 0.08150000 +v -0.02250000 -0.10750000 0.05450000 +v -0.02250000 -0.10750000 0.08150000 +v 0.02250000 -0.14250000 0.05450000 +v 0.02250000 -0.14250000 0.08150000 +v 0.02250000 -0.10750000 0.05450000 +v 0.02250000 -0.10750000 0.08150000 +v -0.02000000 -0.14500000 0.05450000 +v -0.02000000 -0.14500000 0.08150000 +v -0.02000000 -0.10500000 0.05450000 +v -0.02000000 -0.10500000 0.08150000 +v 0.02000000 -0.14500000 0.05450000 +v 0.02000000 -0.14500000 0.08150000 +v 0.02000000 -0.10500000 0.05450000 +v 0.02000000 -0.10500000 0.08150000 +v -0.02000000 -0.14250000 0.05200000 +v -0.02000000 -0.14250000 0.08400000 +v -0.02000000 -0.10750000 0.05200000 +v -0.02000000 -0.10750000 0.08400000 +v 0.02000000 -0.14250000 0.05200000 +v 0.02000000 -0.14250000 0.08400000 +v 0.02000000 -0.10750000 0.05200000 +v 0.02000000 -0.10750000 0.08400000 +f 1 17 9 +f 24 8 16 +f 20 12 4 +f 7 23 15 +f 19 3 11 +f 14 6 22 +f 18 2 10 +f 13 21 5 +f 1 2 3 +f 3 2 4 +f 12 3 4 +f 11 3 12 +f 11 12 16 +f 16 15 11 +f 4 2 20 +f 20 2 18 +f 18 22 20 +f 20 22 24 +f 20 16 12 +f 24 16 20 +f 24 22 6 +f 6 8 24 +f 8 6 7 +f 7 6 5 +f 5 21 7 +f 7 21 23 +f 15 16 7 +f 7 16 8 +f 11 15 19 +f 15 23 19 +f 23 21 19 +f 19 21 17 +f 1 3 19 +f 19 17 1 +f 10 2 1 +f 1 9 10 +f 10 22 18 +f 10 14 22 +f 5 6 13 +f 6 14 13 +f 17 21 13 +f 13 9 17 +f 13 10 9 +f 14 10 13 + diff --git a/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__pump_power_port.mtl b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__pump_power_port.mtl new file mode 100644 index 0000000000000000000000000000000000000000..0094e1b6d03fb8ddfa9684d99828a5a4ceb3d0cc --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__pump_power_port.mtl @@ -0,0 +1,6 @@ +newmtl agilent_1290infinity__pump_power_port +Kd 0.0350 0.0470 0.0590 +Ka 0 0 0 +Ks 0.05 0.05 0.05 +Ns 20 +d 1 diff --git a/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__pump_power_port.obj b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__pump_power_port.obj new file mode 100644 index 0000000000000000000000000000000000000000..b3452113418b52de1aec852779c2c959a5ef7e14 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__pump_power_port.obj @@ -0,0 +1,72 @@ +mtllib agilent_1290infinity__pump_power_port.mtl +usemtl agilent_1290infinity__pump_power_port +# https://github.com/mikedh/trimesh +v 0.10200000 0.21750000 0.01950000 +v 0.10200000 0.21750000 0.04050000 +v 0.10200000 0.22050000 0.01950000 +v 0.10200000 0.22050000 0.04050000 +v 0.13200000 0.21750000 0.01950000 +v 0.13200000 0.21750000 0.04050000 +v 0.13200000 0.22050000 0.01950000 +v 0.13200000 0.22050000 0.04050000 +v 0.10250000 0.21700000 0.01950000 +v 0.10250000 0.21700000 0.04050000 +v 0.10250000 0.22100000 0.01950000 +v 0.10250000 0.22100000 0.04050000 +v 0.13150000 0.21700000 0.01950000 +v 0.13150000 0.21700000 0.04050000 +v 0.13150000 0.22100000 0.01950000 +v 0.13150000 0.22100000 0.04050000 +v 0.10250000 0.21750000 0.01900000 +v 0.10250000 0.21750000 0.04100000 +v 0.10250000 0.22050000 0.01900000 +v 0.10250000 0.22050000 0.04100000 +v 0.13150000 0.21750000 0.01900000 +v 0.13150000 0.21750000 0.04100000 +v 0.13150000 0.22050000 0.01900000 +v 0.13150000 0.22050000 0.04100000 +f 1 17 9 +f 20 12 4 +f 7 23 15 +f 19 3 11 +f 24 8 16 +f 14 6 22 +f 18 2 10 +f 13 21 5 +f 1 2 3 +f 3 2 4 +f 16 15 12 +f 12 15 11 +f 12 3 4 +f 11 3 12 +f 4 2 20 +f 20 2 18 +f 7 21 23 +f 5 21 7 +f 7 15 16 +f 16 8 7 +f 11 15 19 +f 15 23 19 +f 23 21 19 +f 19 21 17 +f 1 3 19 +f 19 17 1 +f 5 7 6 +f 6 7 8 +f 24 6 8 +f 22 6 24 +f 16 12 24 +f 12 20 24 +f 24 20 18 +f 18 22 24 +f 10 2 1 +f 1 9 10 +f 10 22 18 +f 10 14 22 +f 5 6 13 +f 6 14 13 +f 17 21 13 +f 13 9 17 +f 13 10 9 +f 14 10 13 + diff --git a/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__pump_vent_4.mtl b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__pump_vent_4.mtl new file mode 100644 index 0000000000000000000000000000000000000000..b4159a2c8362c792327b846b402cd2c816e8ceb7 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__pump_vent_4.mtl @@ -0,0 +1,6 @@ +newmtl agilent_1290infinity__pump_vent_4 +Kd 0.1400 0.1700 0.2000 +Ka 0 0 0 +Ks 0.05 0.05 0.05 +Ns 20 +d 1 diff --git a/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__pump_vent_4.obj b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__pump_vent_4.obj new file mode 100644 index 0000000000000000000000000000000000000000..3b31d102fa241f43d3bb62af71a28496ac058a0c --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__pump_vent_4.obj @@ -0,0 +1,72 @@ +mtllib agilent_1290infinity__pump_vent_4.mtl +usemtl agilent_1290infinity__pump_vent_4 +# https://github.com/mikedh/trimesh +v 0.19750000 0.10625000 0.04575000 +v 0.19750000 0.10625000 0.04825000 +v 0.19750000 0.12375000 0.04575000 +v 0.19750000 0.12375000 0.04825000 +v 0.19950000 0.10625000 0.04575000 +v 0.19950000 0.10625000 0.04825000 +v 0.19950000 0.12375000 0.04575000 +v 0.19950000 0.12375000 0.04825000 +v 0.19775000 0.10600000 0.04575000 +v 0.19775000 0.10600000 0.04825000 +v 0.19775000 0.12400000 0.04575000 +v 0.19775000 0.12400000 0.04825000 +v 0.19925000 0.10600000 0.04575000 +v 0.19925000 0.10600000 0.04825000 +v 0.19925000 0.12400000 0.04575000 +v 0.19925000 0.12400000 0.04825000 +v 0.19775000 0.10625000 0.04550000 +v 0.19775000 0.10625000 0.04850000 +v 0.19775000 0.12375000 0.04550000 +v 0.19775000 0.12375000 0.04850000 +v 0.19925000 0.10625000 0.04550000 +v 0.19925000 0.10625000 0.04850000 +v 0.19925000 0.12375000 0.04550000 +v 0.19925000 0.12375000 0.04850000 +f 20 12 4 +f 1 17 9 +f 23 15 7 +f 13 21 5 +f 16 24 8 +f 19 3 11 +f 18 2 10 +f 6 22 14 +f 5 7 6 +f 6 7 8 +f 1 2 3 +f 3 2 4 +f 12 3 4 +f 11 3 12 +f 20 2 18 +f 4 2 20 +f 24 6 8 +f 24 22 6 +f 24 20 18 +f 18 22 24 +f 23 7 5 +f 5 21 23 +f 17 21 13 +f 13 9 17 +f 20 24 16 +f 12 20 16 +f 8 7 16 +f 7 15 16 +f 11 12 16 +f 16 15 11 +f 11 15 19 +f 15 23 19 +f 1 3 19 +f 19 17 1 +f 19 23 21 +f 19 21 17 +f 10 2 1 +f 1 9 10 +f 14 22 18 +f 18 10 14 +f 5 6 14 +f 14 13 5 +f 9 13 14 +f 14 10 9 + diff --git a/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__pump_vent_5.mtl b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__pump_vent_5.mtl new file mode 100644 index 0000000000000000000000000000000000000000..b578a0a7c829c1ecb85dc103726667c479f8231e --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__pump_vent_5.mtl @@ -0,0 +1,6 @@ +newmtl agilent_1290infinity__pump_vent_5 +Kd 0.1400 0.1700 0.2000 +Ka 0 0 0 +Ks 0.05 0.05 0.05 +Ns 20 +d 1 diff --git a/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__pump_vent_5.obj b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__pump_vent_5.obj new file mode 100644 index 0000000000000000000000000000000000000000..a72011caac34ff528b6bd486b589702e06dcbac5 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__pump_vent_5.obj @@ -0,0 +1,72 @@ +mtllib agilent_1290infinity__pump_vent_5.mtl +usemtl agilent_1290infinity__pump_vent_5 +# https://github.com/mikedh/trimesh +v 0.19750000 0.12125000 0.04575000 +v 0.19750000 0.12125000 0.04825000 +v 0.19750000 0.13875000 0.04575000 +v 0.19750000 0.13875000 0.04825000 +v 0.19950000 0.12125000 0.04575000 +v 0.19950000 0.12125000 0.04825000 +v 0.19950000 0.13875000 0.04575000 +v 0.19950000 0.13875000 0.04825000 +v 0.19775000 0.12100000 0.04575000 +v 0.19775000 0.12100000 0.04825000 +v 0.19775000 0.13900000 0.04575000 +v 0.19775000 0.13900000 0.04825000 +v 0.19925000 0.12100000 0.04575000 +v 0.19925000 0.12100000 0.04825000 +v 0.19925000 0.13900000 0.04575000 +v 0.19925000 0.13900000 0.04825000 +v 0.19775000 0.12125000 0.04550000 +v 0.19775000 0.12125000 0.04850000 +v 0.19775000 0.13875000 0.04550000 +v 0.19775000 0.13875000 0.04850000 +v 0.19925000 0.12125000 0.04550000 +v 0.19925000 0.12125000 0.04850000 +v 0.19925000 0.13875000 0.04550000 +v 0.19925000 0.13875000 0.04850000 +f 20 12 4 +f 1 17 9 +f 23 15 7 +f 13 21 5 +f 16 24 8 +f 19 3 11 +f 18 2 10 +f 6 22 14 +f 5 7 6 +f 6 7 8 +f 1 2 3 +f 3 2 4 +f 12 3 4 +f 11 3 12 +f 20 2 18 +f 4 2 20 +f 24 6 8 +f 24 22 6 +f 24 20 18 +f 18 22 24 +f 23 7 5 +f 5 21 23 +f 17 21 13 +f 13 9 17 +f 20 24 16 +f 12 20 16 +f 8 7 16 +f 7 15 16 +f 11 12 16 +f 16 15 11 +f 11 15 19 +f 15 23 19 +f 1 3 19 +f 19 17 1 +f 19 23 21 +f 19 21 17 +f 10 2 1 +f 1 9 10 +f 14 22 18 +f 18 10 14 +f 5 6 14 +f 14 13 5 +f 9 13 14 +f 14 10 9 + diff --git a/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__pump_vent_6.mtl b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__pump_vent_6.mtl new file mode 100644 index 0000000000000000000000000000000000000000..63437bdd8f3efc36d559ffb0cd21973ba5f8355a --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__pump_vent_6.mtl @@ -0,0 +1,6 @@ +newmtl agilent_1290infinity__pump_vent_6 +Kd 0.1400 0.1700 0.2000 +Ka 0 0 0 +Ks 0.05 0.05 0.05 +Ns 20 +d 1 diff --git a/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__pump_vent_6.obj b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__pump_vent_6.obj new file mode 100644 index 0000000000000000000000000000000000000000..3dd7f6565ba8a512dd53d4851664816fb686247a --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__pump_vent_6.obj @@ -0,0 +1,72 @@ +mtllib agilent_1290infinity__pump_vent_6.mtl +usemtl agilent_1290infinity__pump_vent_6 +# https://github.com/mikedh/trimesh +v 0.19750000 0.13625000 0.04575000 +v 0.19750000 0.13625000 0.04825000 +v 0.19750000 0.15375000 0.04575000 +v 0.19750000 0.15375000 0.04825000 +v 0.19950000 0.13625000 0.04575000 +v 0.19950000 0.13625000 0.04825000 +v 0.19950000 0.15375000 0.04575000 +v 0.19950000 0.15375000 0.04825000 +v 0.19775000 0.13600000 0.04575000 +v 0.19775000 0.13600000 0.04825000 +v 0.19775000 0.15400000 0.04575000 +v 0.19775000 0.15400000 0.04825000 +v 0.19925000 0.13600000 0.04575000 +v 0.19925000 0.13600000 0.04825000 +v 0.19925000 0.15400000 0.04575000 +v 0.19925000 0.15400000 0.04825000 +v 0.19775000 0.13625000 0.04550000 +v 0.19775000 0.13625000 0.04850000 +v 0.19775000 0.15375000 0.04550000 +v 0.19775000 0.15375000 0.04850000 +v 0.19925000 0.13625000 0.04550000 +v 0.19925000 0.13625000 0.04850000 +v 0.19925000 0.15375000 0.04550000 +v 0.19925000 0.15375000 0.04850000 +f 20 12 4 +f 1 17 9 +f 23 15 7 +f 13 21 5 +f 16 24 8 +f 19 3 11 +f 18 2 10 +f 6 22 14 +f 5 7 6 +f 6 7 8 +f 1 2 3 +f 3 2 4 +f 12 3 4 +f 11 3 12 +f 20 2 18 +f 4 2 20 +f 24 6 8 +f 24 22 6 +f 24 20 18 +f 18 22 24 +f 23 7 5 +f 5 21 23 +f 17 21 13 +f 13 9 17 +f 20 24 16 +f 12 20 16 +f 8 7 16 +f 7 15 16 +f 11 12 16 +f 16 15 11 +f 11 15 19 +f 15 23 19 +f 1 3 19 +f 19 17 1 +f 19 23 21 +f 19 21 17 +f 10 2 1 +f 1 9 10 +f 14 22 18 +f 18 10 14 +f 5 6 14 +f 14 13 5 +f 9 13 14 +f 14 10 9 + diff --git a/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__pump_vent_7.mtl b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__pump_vent_7.mtl new file mode 100644 index 0000000000000000000000000000000000000000..e43f9deec8cdf17e329abb8f5b086029b1d72f28 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__pump_vent_7.mtl @@ -0,0 +1,6 @@ +newmtl agilent_1290infinity__pump_vent_7 +Kd 0.1400 0.1700 0.2000 +Ka 0 0 0 +Ks 0.05 0.05 0.05 +Ns 20 +d 1 diff --git a/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__pump_vent_7.obj b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__pump_vent_7.obj new file mode 100644 index 0000000000000000000000000000000000000000..32d115024b34a5b7996b31efd0a0c80bdf554f04 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__pump_vent_7.obj @@ -0,0 +1,72 @@ +mtllib agilent_1290infinity__pump_vent_7.mtl +usemtl agilent_1290infinity__pump_vent_7 +# https://github.com/mikedh/trimesh +v 0.19750000 0.15125000 0.04575000 +v 0.19750000 0.15125000 0.04825000 +v 0.19750000 0.16875000 0.04575000 +v 0.19750000 0.16875000 0.04825000 +v 0.19950000 0.15125000 0.04575000 +v 0.19950000 0.15125000 0.04825000 +v 0.19950000 0.16875000 0.04575000 +v 0.19950000 0.16875000 0.04825000 +v 0.19775000 0.15100000 0.04575000 +v 0.19775000 0.15100000 0.04825000 +v 0.19775000 0.16900000 0.04575000 +v 0.19775000 0.16900000 0.04825000 +v 0.19925000 0.15100000 0.04575000 +v 0.19925000 0.15100000 0.04825000 +v 0.19925000 0.16900000 0.04575000 +v 0.19925000 0.16900000 0.04825000 +v 0.19775000 0.15125000 0.04550000 +v 0.19775000 0.15125000 0.04850000 +v 0.19775000 0.16875000 0.04550000 +v 0.19775000 0.16875000 0.04850000 +v 0.19925000 0.15125000 0.04550000 +v 0.19925000 0.15125000 0.04850000 +v 0.19925000 0.16875000 0.04550000 +v 0.19925000 0.16875000 0.04850000 +f 20 12 4 +f 1 17 9 +f 23 15 7 +f 13 21 5 +f 16 24 8 +f 19 3 11 +f 18 2 10 +f 6 22 14 +f 5 7 6 +f 6 7 8 +f 1 2 3 +f 3 2 4 +f 12 3 4 +f 11 3 12 +f 20 2 18 +f 4 2 20 +f 24 6 8 +f 24 22 6 +f 24 20 18 +f 18 22 24 +f 23 7 5 +f 5 21 23 +f 17 21 13 +f 13 9 17 +f 20 24 16 +f 12 20 16 +f 8 7 16 +f 7 15 16 +f 11 12 16 +f 16 15 11 +f 11 15 19 +f 15 23 19 +f 1 3 19 +f 19 17 1 +f 19 23 21 +f 19 21 17 +f 10 2 1 +f 1 9 10 +f 14 22 18 +f 18 10 14 +f 5 6 14 +f 14 13 5 +f 9 13 14 +f 14 10 9 + diff --git a/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__rid_bottom.mtl b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__rid_bottom.mtl new file mode 100644 index 0000000000000000000000000000000000000000..fd9de054e055a3aac6fd2a5704206a3685294343 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__rid_bottom.mtl @@ -0,0 +1,6 @@ +newmtl agilent_1290infinity__rid_bottom +Kd 0.1400 0.1700 0.2000 +Ka 0 0 0 +Ks 0.05 0.05 0.05 +Ns 20 +d 1 diff --git a/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__rid_bottom.obj b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__rid_bottom.obj new file mode 100644 index 0000000000000000000000000000000000000000..a3a7022536fccbd72edce9218bab553bf3ad77ab --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__rid_bottom.obj @@ -0,0 +1,72 @@ +mtllib agilent_1290infinity__rid_bottom.mtl +usemtl agilent_1290infinity__rid_bottom +# https://github.com/mikedh/trimesh +v -0.19050000 -0.20775000 0.68625000 +v -0.19050000 -0.20775000 0.69375000 +v -0.19050000 0.21375000 0.68625000 +v -0.19050000 0.21375000 0.69375000 +v 0.19050000 -0.20775000 0.68625000 +v 0.19050000 -0.20775000 0.69375000 +v 0.19050000 0.21375000 0.68625000 +v 0.19050000 0.21375000 0.69375000 +v -0.18925000 -0.20900000 0.68625000 +v -0.18925000 -0.20900000 0.69375000 +v -0.18925000 0.21500000 0.68625000 +v -0.18925000 0.21500000 0.69375000 +v 0.18925000 -0.20900000 0.68625000 +v 0.18925000 -0.20900000 0.69375000 +v 0.18925000 0.21500000 0.68625000 +v 0.18925000 0.21500000 0.69375000 +v -0.18925000 -0.20775000 0.68500000 +v -0.18925000 -0.20775000 0.69500000 +v -0.18925000 0.21375000 0.68500000 +v -0.18925000 0.21375000 0.69500000 +v 0.18925000 -0.20775000 0.68500000 +v 0.18925000 -0.20775000 0.69500000 +v 0.18925000 0.21375000 0.68500000 +v 0.18925000 0.21375000 0.69500000 +f 20 12 4 +f 1 17 9 +f 8 16 24 +f 19 3 11 +f 7 23 15 +f 18 2 10 +f 13 21 5 +f 14 6 22 +f 1 2 3 +f 3 2 4 +f 12 3 4 +f 11 3 12 +f 18 22 20 +f 20 22 24 +f 20 2 18 +f 4 2 20 +f 16 20 24 +f 12 20 16 +f 5 21 23 +f 23 7 5 +f 24 22 8 +f 22 6 8 +f 5 7 8 +f 8 6 5 +f 1 3 19 +f 19 17 1 +f 19 23 21 +f 19 21 17 +f 11 12 15 +f 12 16 15 +f 23 19 15 +f 15 19 11 +f 15 8 7 +f 16 8 15 +f 10 2 1 +f 1 9 10 +f 17 21 13 +f 13 9 17 +f 5 6 14 +f 14 13 5 +f 14 22 18 +f 18 10 14 +f 14 10 9 +f 9 13 14 + diff --git a/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__rid_can_port.mtl b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__rid_can_port.mtl new file mode 100644 index 0000000000000000000000000000000000000000..e23f201aa703ee98e2a4f295415ec50c0f2a06f6 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__rid_can_port.mtl @@ -0,0 +1,6 @@ +newmtl agilent_1290infinity__rid_can_port +Kd 0.0350 0.0470 0.0590 +Ka 0 0 0 +Ks 0.05 0.05 0.05 +Ns 20 +d 1 diff --git a/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__rid_can_port.obj b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__rid_can_port.obj new file mode 100644 index 0000000000000000000000000000000000000000..bfc452994717d81cf6b6c21e7182e086efc9ec26 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__rid_can_port.obj @@ -0,0 +1,72 @@ +mtllib agilent_1290infinity__rid_can_port.mtl +usemtl agilent_1290infinity__rid_can_port +# https://github.com/mikedh/trimesh +v -0.12200000 0.21750000 0.70700000 +v -0.12200000 0.21750000 0.72100000 +v -0.12200000 0.22050000 0.70700000 +v -0.12200000 0.22050000 0.72100000 +v -0.10800000 0.21750000 0.70700000 +v -0.10800000 0.21750000 0.72100000 +v -0.10800000 0.22050000 0.70700000 +v -0.10800000 0.22050000 0.72100000 +v -0.12150000 0.21700000 0.70700000 +v -0.12150000 0.21700000 0.72100000 +v -0.12150000 0.22100000 0.70700000 +v -0.12150000 0.22100000 0.72100000 +v -0.10850000 0.21700000 0.70700000 +v -0.10850000 0.21700000 0.72100000 +v -0.10850000 0.22100000 0.70700000 +v -0.10850000 0.22100000 0.72100000 +v -0.12150000 0.21750000 0.70650000 +v -0.12150000 0.21750000 0.72150000 +v -0.12150000 0.22050000 0.70650000 +v -0.12150000 0.22050000 0.72150000 +v -0.10850000 0.21750000 0.70650000 +v -0.10850000 0.21750000 0.72150000 +v -0.10850000 0.22050000 0.70650000 +v -0.10850000 0.22050000 0.72150000 +f 16 24 8 +f 1 17 9 +f 20 12 4 +f 7 23 15 +f 19 3 11 +f 18 2 10 +f 13 21 5 +f 6 22 14 +f 1 2 3 +f 3 2 4 +f 16 15 12 +f 12 15 11 +f 12 3 4 +f 11 3 12 +f 4 2 20 +f 20 2 18 +f 16 12 20 +f 20 24 16 +f 7 21 23 +f 5 21 7 +f 7 6 5 +f 7 8 6 +f 7 15 16 +f 16 8 7 +f 11 15 19 +f 15 23 19 +f 23 21 19 +f 19 21 17 +f 1 3 19 +f 19 17 1 +f 22 20 18 +f 24 20 22 +f 6 8 22 +f 22 8 24 +f 10 2 1 +f 1 9 10 +f 17 21 13 +f 13 9 17 +f 14 22 18 +f 18 10 14 +f 5 6 14 +f 14 13 5 +f 14 10 9 +f 9 13 14 + diff --git a/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__rid_cell.mtl b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__rid_cell.mtl new file mode 100644 index 0000000000000000000000000000000000000000..53cd1e3ff3303062686b9ed8a9dbea4ff5d6753c --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__rid_cell.mtl @@ -0,0 +1,6 @@ +newmtl agilent_1290infinity__rid_cell +Kd 0.5500 0.5900 0.6200 +Ka 0 0 0 +Ks 0.05 0.05 0.05 +Ns 20 +d 1 diff --git a/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__rid_cell.obj b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__rid_cell.obj new file mode 100644 index 0000000000000000000000000000000000000000..75d8e37b27b179588096b5c3437a6c1d27c75f5b --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__rid_cell.obj @@ -0,0 +1,72 @@ +mtllib agilent_1290infinity__rid_cell.mtl +usemtl agilent_1290infinity__rid_cell +# https://github.com/mikedh/trimesh +v -0.02500000 -0.14400000 0.72600000 +v -0.02500000 -0.14400000 0.79400000 +v -0.02500000 -0.05600000 0.72600000 +v -0.02500000 -0.05600000 0.79400000 +v 0.10500000 -0.14400000 0.72600000 +v 0.10500000 -0.14400000 0.79400000 +v 0.10500000 -0.05600000 0.72600000 +v 0.10500000 -0.05600000 0.79400000 +v -0.02250000 -0.14650000 0.72600000 +v -0.02250000 -0.14650000 0.79400000 +v -0.02250000 -0.05350000 0.72600000 +v -0.02250000 -0.05350000 0.79400000 +v 0.10250000 -0.14650000 0.72600000 +v 0.10250000 -0.14650000 0.79400000 +v 0.10250000 -0.05350000 0.72600000 +v 0.10250000 -0.05350000 0.79400000 +v -0.02250000 -0.14400000 0.72350000 +v -0.02250000 -0.14400000 0.79650000 +v -0.02250000 -0.05600000 0.72350000 +v -0.02250000 -0.05600000 0.79650000 +v 0.10250000 -0.14400000 0.72350000 +v 0.10250000 -0.14400000 0.79650000 +v 0.10250000 -0.05600000 0.72350000 +v 0.10250000 -0.05600000 0.79650000 +f 1 17 9 +f 24 8 16 +f 20 12 4 +f 7 23 15 +f 19 3 11 +f 14 6 22 +f 18 2 10 +f 13 21 5 +f 1 2 3 +f 3 2 4 +f 12 3 4 +f 11 3 12 +f 11 12 16 +f 16 15 11 +f 4 2 20 +f 20 2 18 +f 18 22 20 +f 20 22 24 +f 20 16 12 +f 24 16 20 +f 24 22 6 +f 6 8 24 +f 8 6 7 +f 7 6 5 +f 5 21 7 +f 7 21 23 +f 15 16 7 +f 7 16 8 +f 11 15 19 +f 15 23 19 +f 23 21 19 +f 19 21 17 +f 1 3 19 +f 19 17 1 +f 10 2 1 +f 1 9 10 +f 10 22 18 +f 10 14 22 +f 5 6 13 +f 6 14 13 +f 17 21 13 +f 13 9 17 +f 13 10 9 +f 14 10 13 + diff --git a/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__rid_fascia.mtl b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__rid_fascia.mtl new file mode 100644 index 0000000000000000000000000000000000000000..c611af814b526f9ac24cc12fe8b283813ac57978 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__rid_fascia.mtl @@ -0,0 +1,6 @@ +newmtl agilent_1290infinity__rid_fascia +Kd 0.8700 0.8800 0.8800 +Ka 0 0 0 +Ks 0.05 0.05 0.05 +Ns 20 +d 1 diff --git a/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__rid_fascia.obj b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__rid_fascia.obj new file mode 100644 index 0000000000000000000000000000000000000000..b2f2ce3ebc8ef38162dfad74f8a6f5f1a5a047f8 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__rid_fascia.obj @@ -0,0 +1,72 @@ +mtllib agilent_1290infinity__rid_fascia.mtl +usemtl agilent_1290infinity__rid_fascia +# https://github.com/mikedh/trimesh +v -0.19200000 -0.21525000 0.82025000 +v -0.19200000 -0.21525000 0.85575000 +v -0.19200000 -0.20475000 0.82025000 +v -0.19200000 -0.20475000 0.85575000 +v 0.19200000 -0.21525000 0.82025000 +v 0.19200000 -0.21525000 0.85575000 +v 0.19200000 -0.20475000 0.82025000 +v 0.19200000 -0.20475000 0.85575000 +v -0.19025000 -0.21700000 0.82025000 +v -0.19025000 -0.21700000 0.85575000 +v -0.19025000 -0.20300000 0.82025000 +v -0.19025000 -0.20300000 0.85575000 +v 0.19025000 -0.21700000 0.82025000 +v 0.19025000 -0.21700000 0.85575000 +v 0.19025000 -0.20300000 0.82025000 +v 0.19025000 -0.20300000 0.85575000 +v -0.19025000 -0.21525000 0.81850000 +v -0.19025000 -0.21525000 0.85750000 +v -0.19025000 -0.20475000 0.81850000 +v -0.19025000 -0.20475000 0.85750000 +v 0.19025000 -0.21525000 0.81850000 +v 0.19025000 -0.21525000 0.85750000 +v 0.19025000 -0.20475000 0.81850000 +v 0.19025000 -0.20475000 0.85750000 +f 1 17 9 +f 20 12 4 +f 7 23 15 +f 19 3 11 +f 24 8 16 +f 14 6 22 +f 18 2 10 +f 13 21 5 +f 1 2 3 +f 3 2 4 +f 16 15 12 +f 12 15 11 +f 12 3 4 +f 11 3 12 +f 4 2 20 +f 20 2 18 +f 7 21 23 +f 5 21 7 +f 7 15 16 +f 16 8 7 +f 11 15 19 +f 15 23 19 +f 23 21 19 +f 19 21 17 +f 1 3 19 +f 19 17 1 +f 5 7 6 +f 6 7 8 +f 24 6 8 +f 22 6 24 +f 16 12 24 +f 12 20 24 +f 24 20 18 +f 18 22 24 +f 10 2 1 +f 1 9 10 +f 10 22 18 +f 10 14 22 +f 5 6 13 +f 6 14 13 +f 17 21 13 +f 13 9 17 +f 13 10 9 +f 14 10 13 + diff --git a/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__rid_front.mtl b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__rid_front.mtl new file mode 100644 index 0000000000000000000000000000000000000000..59320e2d3bf36ee4dc4fb59dc0c61e7f8ab472de --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__rid_front.mtl @@ -0,0 +1,6 @@ +newmtl agilent_1290infinity__rid_front +Kd 0.1400 0.1700 0.2000 +Ka 0 0 0 +Ks 0.05 0.05 0.05 +Ns 20 +d 1 diff --git a/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__rid_front.obj b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__rid_front.obj new file mode 100644 index 0000000000000000000000000000000000000000..07eb73d1860284fe64c65a279a6ed00b781e0244 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__rid_front.obj @@ -0,0 +1,72 @@ +mtllib agilent_1290infinity__rid_front.mtl +usemtl agilent_1290infinity__rid_front +# https://github.com/mikedh/trimesh +v -0.18200000 -0.21187500 0.70362500 +v -0.18200000 -0.21187500 0.81237500 +v -0.18200000 -0.20212500 0.70362500 +v -0.18200000 -0.20212500 0.81237500 +v 0.18200000 -0.21187500 0.70362500 +v 0.18200000 -0.21187500 0.81237500 +v 0.18200000 -0.20212500 0.70362500 +v 0.18200000 -0.20212500 0.81237500 +v -0.18037500 -0.21350000 0.70362500 +v -0.18037500 -0.21350000 0.81237500 +v -0.18037500 -0.20050000 0.70362500 +v -0.18037500 -0.20050000 0.81237500 +v 0.18037500 -0.21350000 0.70362500 +v 0.18037500 -0.21350000 0.81237500 +v 0.18037500 -0.20050000 0.70362500 +v 0.18037500 -0.20050000 0.81237500 +v -0.18037500 -0.21187500 0.70200000 +v -0.18037500 -0.21187500 0.81400000 +v -0.18037500 -0.20212500 0.70200000 +v -0.18037500 -0.20212500 0.81400000 +v 0.18037500 -0.21187500 0.70200000 +v 0.18037500 -0.21187500 0.81400000 +v 0.18037500 -0.20212500 0.70200000 +v 0.18037500 -0.20212500 0.81400000 +f 1 17 9 +f 20 12 4 +f 7 23 15 +f 19 3 11 +f 24 8 16 +f 14 6 22 +f 18 2 10 +f 13 21 5 +f 1 2 3 +f 3 2 4 +f 16 15 12 +f 12 15 11 +f 12 3 4 +f 11 3 12 +f 4 2 20 +f 20 2 18 +f 7 21 23 +f 5 21 7 +f 7 15 16 +f 16 8 7 +f 11 15 19 +f 15 23 19 +f 23 21 19 +f 19 21 17 +f 1 3 19 +f 19 17 1 +f 5 7 6 +f 6 7 8 +f 24 6 8 +f 22 6 24 +f 16 12 24 +f 12 20 24 +f 24 20 18 +f 18 22 24 +f 10 2 1 +f 1 9 10 +f 10 22 18 +f 10 14 22 +f 5 6 13 +f 6 14 13 +f 17 21 13 +f 13 9 17 +f 13 10 9 +f 14 10 13 + diff --git a/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__rid_left.mtl b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__rid_left.mtl new file mode 100644 index 0000000000000000000000000000000000000000..af0e99408011c32e72fdd1d0474470cd8d3acbc8 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__rid_left.mtl @@ -0,0 +1,6 @@ +newmtl agilent_1290infinity__rid_left +Kd 0.8700 0.8800 0.8800 +Ka 0 0 0 +Ks 0.05 0.05 0.05 +Ns 20 +d 1 diff --git a/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__rid_left.obj b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__rid_left.obj new file mode 100644 index 0000000000000000000000000000000000000000..a42ffa957b39c92edb1d43d1364df449e88fb794 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__rid_left.obj @@ -0,0 +1,72 @@ +mtllib agilent_1290infinity__rid_left.mtl +usemtl agilent_1290infinity__rid_left +# https://github.com/mikedh/trimesh +v -0.19800000 -0.20300000 0.69050000 +v -0.19800000 -0.20300000 0.85750000 +v -0.19800000 0.21500000 0.69050000 +v -0.19800000 0.21500000 0.85750000 +v -0.18600000 -0.20300000 0.69050000 +v -0.18600000 -0.20300000 0.85750000 +v -0.18600000 0.21500000 0.69050000 +v -0.18600000 0.21500000 0.85750000 +v -0.19650000 -0.20450000 0.69050000 +v -0.19650000 -0.20450000 0.85750000 +v -0.19650000 0.21650000 0.69050000 +v -0.19650000 0.21650000 0.85750000 +v -0.18750000 -0.20450000 0.69050000 +v -0.18750000 -0.20450000 0.85750000 +v -0.18750000 0.21650000 0.69050000 +v -0.18750000 0.21650000 0.85750000 +v -0.19650000 -0.20300000 0.68900000 +v -0.19650000 -0.20300000 0.85900000 +v -0.19650000 0.21500000 0.68900000 +v -0.19650000 0.21500000 0.85900000 +v -0.18750000 -0.20300000 0.68900000 +v -0.18750000 -0.20300000 0.85900000 +v -0.18750000 0.21500000 0.68900000 +v -0.18750000 0.21500000 0.85900000 +f 20 12 4 +f 1 17 9 +f 23 15 7 +f 13 21 5 +f 16 24 8 +f 19 3 11 +f 18 2 10 +f 6 22 14 +f 5 7 6 +f 6 7 8 +f 1 2 3 +f 3 2 4 +f 12 3 4 +f 11 3 12 +f 20 2 18 +f 4 2 20 +f 24 6 8 +f 24 22 6 +f 24 20 18 +f 18 22 24 +f 23 7 5 +f 5 21 23 +f 17 21 13 +f 13 9 17 +f 20 24 16 +f 12 20 16 +f 8 7 16 +f 7 15 16 +f 11 12 16 +f 16 15 11 +f 11 15 19 +f 15 23 19 +f 1 3 19 +f 19 17 1 +f 19 23 21 +f 19 21 17 +f 10 2 1 +f 1 9 10 +f 14 22 18 +f 18 10 14 +f 5 6 14 +f 14 13 5 +f 9 13 14 +f 14 10 9 + diff --git a/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__rid_power_port.mtl b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__rid_power_port.mtl new file mode 100644 index 0000000000000000000000000000000000000000..ecd28ca0f937efdfedc8a13c67ddbc0ccccaace3 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__rid_power_port.mtl @@ -0,0 +1,6 @@ +newmtl agilent_1290infinity__rid_power_port +Kd 0.0350 0.0470 0.0590 +Ka 0 0 0 +Ks 0.05 0.05 0.05 +Ns 20 +d 1 diff --git a/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__rid_power_port.obj b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__rid_power_port.obj new file mode 100644 index 0000000000000000000000000000000000000000..48c5881401d06f3b8fec632d7fa965f240eff965 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__rid_power_port.obj @@ -0,0 +1,72 @@ +mtllib agilent_1290infinity__rid_power_port.mtl +usemtl agilent_1290infinity__rid_power_port +# https://github.com/mikedh/trimesh +v 0.10200000 0.21750000 0.70350000 +v 0.10200000 0.21750000 0.72450000 +v 0.10200000 0.22050000 0.70350000 +v 0.10200000 0.22050000 0.72450000 +v 0.13200000 0.21750000 0.70350000 +v 0.13200000 0.21750000 0.72450000 +v 0.13200000 0.22050000 0.70350000 +v 0.13200000 0.22050000 0.72450000 +v 0.10250000 0.21700000 0.70350000 +v 0.10250000 0.21700000 0.72450000 +v 0.10250000 0.22100000 0.70350000 +v 0.10250000 0.22100000 0.72450000 +v 0.13150000 0.21700000 0.70350000 +v 0.13150000 0.21700000 0.72450000 +v 0.13150000 0.22100000 0.70350000 +v 0.13150000 0.22100000 0.72450000 +v 0.10250000 0.21750000 0.70300000 +v 0.10250000 0.21750000 0.72500000 +v 0.10250000 0.22050000 0.70300000 +v 0.10250000 0.22050000 0.72500000 +v 0.13150000 0.21750000 0.70300000 +v 0.13150000 0.21750000 0.72500000 +v 0.13150000 0.22050000 0.70300000 +v 0.13150000 0.22050000 0.72500000 +f 1 17 9 +f 20 12 4 +f 7 23 15 +f 19 3 11 +f 24 8 16 +f 14 6 22 +f 18 2 10 +f 13 21 5 +f 1 2 3 +f 3 2 4 +f 16 15 12 +f 12 15 11 +f 12 3 4 +f 11 3 12 +f 4 2 20 +f 20 2 18 +f 7 21 23 +f 5 21 7 +f 7 15 16 +f 16 8 7 +f 11 15 19 +f 15 23 19 +f 23 21 19 +f 19 21 17 +f 1 3 19 +f 19 17 1 +f 5 7 6 +f 6 7 8 +f 24 6 8 +f 22 6 24 +f 16 12 24 +f 12 20 24 +f 24 20 18 +f 18 22 24 +f 10 2 1 +f 1 9 10 +f 10 22 18 +f 10 14 22 +f 5 6 13 +f 6 14 13 +f 17 21 13 +f 13 9 17 +f 13 10 9 +f 14 10 13 + diff --git a/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__rid_power_rocker.mtl b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__rid_power_rocker.mtl new file mode 100644 index 0000000000000000000000000000000000000000..7850236fc4b3ba416a67422c99ea99d67e693382 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__rid_power_rocker.mtl @@ -0,0 +1,6 @@ +newmtl agilent_1290infinity__rid_power_rocker +Kd 0.0350 0.0470 0.0590 +Ka 0 0 0 +Ks 0.05 0.05 0.05 +Ns 20 +d 1 diff --git a/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__rid_power_rocker.obj b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__rid_power_rocker.obj new file mode 100644 index 0000000000000000000000000000000000000000..d71730cf4f9025ff25cf219a1bed2e3d9e914fe4 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__rid_power_rocker.obj @@ -0,0 +1,72 @@ +mtllib agilent_1290infinity__rid_power_rocker.mtl +usemtl agilent_1290infinity__rid_power_rocker +# https://github.com/mikedh/trimesh +v -0.17750000 -0.22087500 0.70212500 +v -0.17750000 -0.22087500 0.71587500 +v -0.17750000 -0.21712500 0.70212500 +v -0.17750000 -0.21712500 0.71587500 +v -0.16450000 -0.22087500 0.70212500 +v -0.16450000 -0.22087500 0.71587500 +v -0.16450000 -0.21712500 0.70212500 +v -0.16450000 -0.21712500 0.71587500 +v -0.17687500 -0.22150000 0.70212500 +v -0.17687500 -0.22150000 0.71587500 +v -0.17687500 -0.21650000 0.70212500 +v -0.17687500 -0.21650000 0.71587500 +v -0.16512500 -0.22150000 0.70212500 +v -0.16512500 -0.22150000 0.71587500 +v -0.16512500 -0.21650000 0.70212500 +v -0.16512500 -0.21650000 0.71587500 +v -0.17687500 -0.22087500 0.70150000 +v -0.17687500 -0.22087500 0.71650000 +v -0.17687500 -0.21712500 0.70150000 +v -0.17687500 -0.21712500 0.71650000 +v -0.16512500 -0.22087500 0.70150000 +v -0.16512500 -0.22087500 0.71650000 +v -0.16512500 -0.21712500 0.70150000 +v -0.16512500 -0.21712500 0.71650000 +f 16 24 8 +f 1 17 9 +f 20 12 4 +f 7 23 15 +f 19 3 11 +f 18 2 10 +f 13 21 5 +f 6 22 14 +f 1 2 3 +f 3 2 4 +f 16 15 12 +f 12 15 11 +f 12 3 4 +f 11 3 12 +f 4 2 20 +f 20 2 18 +f 16 12 20 +f 20 24 16 +f 7 21 23 +f 5 21 7 +f 7 6 5 +f 7 8 6 +f 7 15 16 +f 16 8 7 +f 11 15 19 +f 15 23 19 +f 23 21 19 +f 19 21 17 +f 1 3 19 +f 19 17 1 +f 22 20 18 +f 24 20 22 +f 6 8 22 +f 22 8 24 +f 10 2 1 +f 1 9 10 +f 17 21 13 +f 13 9 17 +f 14 22 18 +f 18 10 14 +f 5 6 14 +f 14 13 5 +f 14 10 9 +f 9 13 14 + diff --git a/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__rid_rear.mtl b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__rid_rear.mtl new file mode 100644 index 0000000000000000000000000000000000000000..fca362fc5460069776cde8fdcaccfea92ea740ad --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__rid_rear.mtl @@ -0,0 +1,6 @@ +newmtl agilent_1290infinity__rid_rear +Kd 0.5500 0.5900 0.6200 +Ka 0 0 0 +Ks 0.05 0.05 0.05 +Ns 20 +d 1 diff --git a/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__rid_rear.obj b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__rid_rear.obj new file mode 100644 index 0000000000000000000000000000000000000000..962723af98798389df069328f084f6bddb430a27 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__rid_rear.obj @@ -0,0 +1,72 @@ +mtllib agilent_1290infinity__rid_rear.mtl +usemtl agilent_1290infinity__rid_rear +# https://github.com/mikedh/trimesh +v -0.19200000 0.21012500 0.69162500 +v -0.19200000 0.21012500 0.85637500 +v -0.19200000 0.21687500 0.69162500 +v -0.19200000 0.21687500 0.85637500 +v 0.19200000 0.21012500 0.69162500 +v 0.19200000 0.21012500 0.85637500 +v 0.19200000 0.21687500 0.69162500 +v 0.19200000 0.21687500 0.85637500 +v -0.19087500 0.20900000 0.69162500 +v -0.19087500 0.20900000 0.85637500 +v -0.19087500 0.21800000 0.69162500 +v -0.19087500 0.21800000 0.85637500 +v 0.19087500 0.20900000 0.69162500 +v 0.19087500 0.20900000 0.85637500 +v 0.19087500 0.21800000 0.69162500 +v 0.19087500 0.21800000 0.85637500 +v -0.19087500 0.21012500 0.69050000 +v -0.19087500 0.21012500 0.85750000 +v -0.19087500 0.21687500 0.69050000 +v -0.19087500 0.21687500 0.85750000 +v 0.19087500 0.21012500 0.69050000 +v 0.19087500 0.21012500 0.85750000 +v 0.19087500 0.21687500 0.69050000 +v 0.19087500 0.21687500 0.85750000 +f 1 17 9 +f 20 12 4 +f 7 23 15 +f 19 3 11 +f 24 8 16 +f 14 6 22 +f 18 2 10 +f 13 21 5 +f 1 2 3 +f 3 2 4 +f 16 15 12 +f 12 15 11 +f 12 3 4 +f 11 3 12 +f 4 2 20 +f 20 2 18 +f 7 21 23 +f 5 21 7 +f 7 15 16 +f 16 8 7 +f 11 15 19 +f 15 23 19 +f 23 21 19 +f 19 21 17 +f 1 3 19 +f 19 17 1 +f 5 7 6 +f 6 7 8 +f 24 6 8 +f 22 6 24 +f 16 12 24 +f 12 20 24 +f 24 20 18 +f 18 22 24 +f 10 2 1 +f 1 9 10 +f 10 22 18 +f 10 14 22 +f 5 6 13 +f 6 14 13 +f 17 21 13 +f 13 9 17 +f 13 10 9 +f 14 10 13 + diff --git a/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__rid_reference.mtl b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__rid_reference.mtl new file mode 100644 index 0000000000000000000000000000000000000000..bb0bd568f2281044634dd04b66a99b17c69b8002 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__rid_reference.mtl @@ -0,0 +1,6 @@ +newmtl agilent_1290infinity__rid_reference +Kd 0.1400 0.1700 0.2000 +Ka 0 0 0 +Ks 0.05 0.05 0.05 +Ns 20 +d 1 diff --git a/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__rid_reference.obj b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__rid_reference.obj new file mode 100644 index 0000000000000000000000000000000000000000..8f0a88c3f01ca447b3c17ade6d7a50dea3f0158f --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__rid_reference.obj @@ -0,0 +1,72 @@ +mtllib agilent_1290infinity__rid_reference.mtl +usemtl agilent_1290infinity__rid_reference +# https://github.com/mikedh/trimesh +v -0.11650000 -0.14400000 0.72600000 +v -0.11650000 -0.14400000 0.79400000 +v -0.11650000 -0.05600000 0.72600000 +v -0.11650000 -0.05600000 0.79400000 +v -0.03950000 -0.14400000 0.72600000 +v -0.03950000 -0.14400000 0.79400000 +v -0.03950000 -0.05600000 0.72600000 +v -0.03950000 -0.05600000 0.79400000 +v -0.11400000 -0.14650000 0.72600000 +v -0.11400000 -0.14650000 0.79400000 +v -0.11400000 -0.05350000 0.72600000 +v -0.11400000 -0.05350000 0.79400000 +v -0.04200000 -0.14650000 0.72600000 +v -0.04200000 -0.14650000 0.79400000 +v -0.04200000 -0.05350000 0.72600000 +v -0.04200000 -0.05350000 0.79400000 +v -0.11400000 -0.14400000 0.72350000 +v -0.11400000 -0.14400000 0.79650000 +v -0.11400000 -0.05600000 0.72350000 +v -0.11400000 -0.05600000 0.79650000 +v -0.04200000 -0.14400000 0.72350000 +v -0.04200000 -0.14400000 0.79650000 +v -0.04200000 -0.05600000 0.72350000 +v -0.04200000 -0.05600000 0.79650000 +f 20 12 4 +f 1 17 9 +f 8 16 24 +f 19 3 11 +f 7 23 15 +f 18 2 10 +f 13 21 5 +f 14 6 22 +f 1 2 3 +f 3 2 4 +f 12 3 4 +f 11 3 12 +f 18 22 20 +f 20 22 24 +f 20 2 18 +f 4 2 20 +f 16 20 24 +f 12 20 16 +f 5 21 23 +f 23 7 5 +f 24 22 8 +f 22 6 8 +f 5 7 8 +f 8 6 5 +f 1 3 19 +f 19 17 1 +f 19 23 21 +f 19 21 17 +f 11 12 15 +f 12 16 15 +f 23 19 15 +f 15 19 11 +f 15 8 7 +f 16 8 15 +f 10 2 1 +f 1 9 10 +f 17 21 13 +f 13 9 17 +f 5 6 14 +f 14 13 5 +f 14 22 18 +f 18 10 14 +f 14 10 9 +f 9 13 14 + diff --git a/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__rid_right.mtl b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__rid_right.mtl new file mode 100644 index 0000000000000000000000000000000000000000..936cb9442495d51290bea5f3369f25a7eb5bc5cf --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__rid_right.mtl @@ -0,0 +1,6 @@ +newmtl agilent_1290infinity__rid_right +Kd 0.8700 0.8800 0.8800 +Ka 0 0 0 +Ks 0.05 0.05 0.05 +Ns 20 +d 1 diff --git a/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__rid_right.obj b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__rid_right.obj new file mode 100644 index 0000000000000000000000000000000000000000..52143a28b106fe5391423354eff0ffaabdc8cc9f --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__rid_right.obj @@ -0,0 +1,72 @@ +mtllib agilent_1290infinity__rid_right.mtl +usemtl agilent_1290infinity__rid_right +# https://github.com/mikedh/trimesh +v 0.18600000 -0.20300000 0.69050000 +v 0.18600000 -0.20300000 0.85750000 +v 0.18600000 0.21500000 0.69050000 +v 0.18600000 0.21500000 0.85750000 +v 0.19800000 -0.20300000 0.69050000 +v 0.19800000 -0.20300000 0.85750000 +v 0.19800000 0.21500000 0.69050000 +v 0.19800000 0.21500000 0.85750000 +v 0.18750000 -0.20450000 0.69050000 +v 0.18750000 -0.20450000 0.85750000 +v 0.18750000 0.21650000 0.69050000 +v 0.18750000 0.21650000 0.85750000 +v 0.19650000 -0.20450000 0.69050000 +v 0.19650000 -0.20450000 0.85750000 +v 0.19650000 0.21650000 0.69050000 +v 0.19650000 0.21650000 0.85750000 +v 0.18750000 -0.20300000 0.68900000 +v 0.18750000 -0.20300000 0.85900000 +v 0.18750000 0.21500000 0.68900000 +v 0.18750000 0.21500000 0.85900000 +v 0.19650000 -0.20300000 0.68900000 +v 0.19650000 -0.20300000 0.85900000 +v 0.19650000 0.21500000 0.68900000 +v 0.19650000 0.21500000 0.85900000 +f 20 12 4 +f 1 17 9 +f 23 15 7 +f 13 21 5 +f 16 24 8 +f 19 3 11 +f 18 2 10 +f 6 22 14 +f 5 7 6 +f 6 7 8 +f 1 2 3 +f 3 2 4 +f 12 3 4 +f 11 3 12 +f 20 2 18 +f 4 2 20 +f 24 6 8 +f 24 22 6 +f 24 20 18 +f 18 22 24 +f 23 7 5 +f 5 21 23 +f 17 21 13 +f 13 9 17 +f 20 24 16 +f 12 20 16 +f 8 7 16 +f 7 15 16 +f 11 12 16 +f 16 15 11 +f 11 15 19 +f 15 23 19 +f 1 3 19 +f 19 17 1 +f 19 23 21 +f 19 21 17 +f 10 2 1 +f 1 9 10 +f 14 22 18 +f 18 10 14 +f 5 6 14 +f 14 13 5 +f 9 13 14 +f 14 10 9 + diff --git a/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__rid_top.mtl b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__rid_top.mtl new file mode 100644 index 0000000000000000000000000000000000000000..41b8d8756598e93abd9533a15fc208d634353a31 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__rid_top.mtl @@ -0,0 +1,6 @@ +newmtl agilent_1290infinity__rid_top +Kd 0.8700 0.8800 0.8800 +Ka 0 0 0 +Ks 0.05 0.05 0.05 +Ns 20 +d 1 diff --git a/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__rid_top.obj b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__rid_top.obj new file mode 100644 index 0000000000000000000000000000000000000000..03d5d2a9ef0134354f0bf23fba25db88d6790307 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__rid_top.obj @@ -0,0 +1,72 @@ +mtllib agilent_1290infinity__rid_top.mtl +usemtl agilent_1290infinity__rid_top +# https://github.com/mikedh/trimesh +v -0.19050000 -0.20775000 0.85525000 +v -0.19050000 -0.20775000 0.86275000 +v -0.19050000 0.21375000 0.85525000 +v -0.19050000 0.21375000 0.86275000 +v 0.19050000 -0.20775000 0.85525000 +v 0.19050000 -0.20775000 0.86275000 +v 0.19050000 0.21375000 0.85525000 +v 0.19050000 0.21375000 0.86275000 +v -0.18925000 -0.20900000 0.85525000 +v -0.18925000 -0.20900000 0.86275000 +v -0.18925000 0.21500000 0.85525000 +v -0.18925000 0.21500000 0.86275000 +v 0.18925000 -0.20900000 0.85525000 +v 0.18925000 -0.20900000 0.86275000 +v 0.18925000 0.21500000 0.85525000 +v 0.18925000 0.21500000 0.86275000 +v -0.18925000 -0.20775000 0.85400000 +v -0.18925000 -0.20775000 0.86400000 +v -0.18925000 0.21375000 0.85400000 +v -0.18925000 0.21375000 0.86400000 +v 0.18925000 -0.20775000 0.85400000 +v 0.18925000 -0.20775000 0.86400000 +v 0.18925000 0.21375000 0.85400000 +v 0.18925000 0.21375000 0.86400000 +f 20 12 4 +f 1 17 9 +f 8 16 24 +f 19 3 11 +f 7 23 15 +f 18 2 10 +f 13 21 5 +f 14 6 22 +f 1 2 3 +f 3 2 4 +f 12 3 4 +f 11 3 12 +f 18 22 20 +f 20 22 24 +f 20 2 18 +f 4 2 20 +f 16 20 24 +f 12 20 16 +f 5 21 23 +f 23 7 5 +f 24 22 8 +f 22 6 8 +f 5 7 8 +f 8 6 5 +f 1 3 19 +f 19 17 1 +f 19 23 21 +f 19 21 17 +f 11 12 15 +f 12 16 15 +f 23 19 15 +f 15 19 11 +f 15 8 7 +f 16 8 15 +f 10 2 1 +f 1 9 10 +f 17 21 13 +f 13 9 17 +f 5 6 14 +f 14 13 5 +f 14 22 18 +f 18 10 14 +f 14 10 9 +f 9 13 14 + diff --git a/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__rid_vent_0.mtl b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__rid_vent_0.mtl new file mode 100644 index 0000000000000000000000000000000000000000..6f70acb9d3bb1e6284beaa45bb41a5085e49a01a --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__rid_vent_0.mtl @@ -0,0 +1,6 @@ +newmtl agilent_1290infinity__rid_vent_0 +Kd 0.1400 0.1700 0.2000 +Ka 0 0 0 +Ks 0.05 0.05 0.05 +Ns 20 +d 1 diff --git a/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__rid_vent_0.obj b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__rid_vent_0.obj new file mode 100644 index 0000000000000000000000000000000000000000..5bd8e739e70599a70af8c2daed1794a60e9dc001 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__rid_vent_0.obj @@ -0,0 +1,72 @@ +mtllib agilent_1290infinity__rid_vent_0.mtl +usemtl agilent_1290infinity__rid_vent_0 +# https://github.com/mikedh/trimesh +v 0.19750000 0.04625000 0.72975000 +v 0.19750000 0.04625000 0.73225000 +v 0.19750000 0.06375000 0.72975000 +v 0.19750000 0.06375000 0.73225000 +v 0.19950000 0.04625000 0.72975000 +v 0.19950000 0.04625000 0.73225000 +v 0.19950000 0.06375000 0.72975000 +v 0.19950000 0.06375000 0.73225000 +v 0.19775000 0.04600000 0.72975000 +v 0.19775000 0.04600000 0.73225000 +v 0.19775000 0.06400000 0.72975000 +v 0.19775000 0.06400000 0.73225000 +v 0.19925000 0.04600000 0.72975000 +v 0.19925000 0.04600000 0.73225000 +v 0.19925000 0.06400000 0.72975000 +v 0.19925000 0.06400000 0.73225000 +v 0.19775000 0.04625000 0.72950000 +v 0.19775000 0.04625000 0.73250000 +v 0.19775000 0.06375000 0.72950000 +v 0.19775000 0.06375000 0.73250000 +v 0.19925000 0.04625000 0.72950000 +v 0.19925000 0.04625000 0.73250000 +v 0.19925000 0.06375000 0.72950000 +v 0.19925000 0.06375000 0.73250000 +f 20 12 4 +f 1 17 9 +f 23 15 7 +f 13 21 5 +f 16 24 8 +f 19 3 11 +f 18 2 10 +f 6 22 14 +f 5 7 6 +f 6 7 8 +f 1 2 3 +f 3 2 4 +f 12 3 4 +f 11 3 12 +f 20 2 18 +f 4 2 20 +f 24 6 8 +f 24 22 6 +f 24 20 18 +f 18 22 24 +f 23 7 5 +f 5 21 23 +f 17 21 13 +f 13 9 17 +f 20 24 16 +f 12 20 16 +f 8 7 16 +f 7 15 16 +f 11 12 16 +f 16 15 11 +f 11 15 19 +f 15 23 19 +f 1 3 19 +f 19 17 1 +f 19 23 21 +f 19 21 17 +f 10 2 1 +f 1 9 10 +f 14 22 18 +f 18 10 14 +f 5 6 14 +f 14 13 5 +f 9 13 14 +f 14 10 9 + diff --git a/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__rid_vent_1.mtl b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__rid_vent_1.mtl new file mode 100644 index 0000000000000000000000000000000000000000..9dac7e65f758e1c634ccb2ac27323b24c8296de5 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__rid_vent_1.mtl @@ -0,0 +1,6 @@ +newmtl agilent_1290infinity__rid_vent_1 +Kd 0.1400 0.1700 0.2000 +Ka 0 0 0 +Ks 0.05 0.05 0.05 +Ns 20 +d 1 diff --git a/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__rid_vent_1.obj b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__rid_vent_1.obj new file mode 100644 index 0000000000000000000000000000000000000000..e494031e45790b09584c3dd9ad838408a4580f10 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__rid_vent_1.obj @@ -0,0 +1,72 @@ +mtllib agilent_1290infinity__rid_vent_1.mtl +usemtl agilent_1290infinity__rid_vent_1 +# https://github.com/mikedh/trimesh +v 0.19750000 0.06125000 0.72975000 +v 0.19750000 0.06125000 0.73225000 +v 0.19750000 0.07875000 0.72975000 +v 0.19750000 0.07875000 0.73225000 +v 0.19950000 0.06125000 0.72975000 +v 0.19950000 0.06125000 0.73225000 +v 0.19950000 0.07875000 0.72975000 +v 0.19950000 0.07875000 0.73225000 +v 0.19775000 0.06100000 0.72975000 +v 0.19775000 0.06100000 0.73225000 +v 0.19775000 0.07900000 0.72975000 +v 0.19775000 0.07900000 0.73225000 +v 0.19925000 0.06100000 0.72975000 +v 0.19925000 0.06100000 0.73225000 +v 0.19925000 0.07900000 0.72975000 +v 0.19925000 0.07900000 0.73225000 +v 0.19775000 0.06125000 0.72950000 +v 0.19775000 0.06125000 0.73250000 +v 0.19775000 0.07875000 0.72950000 +v 0.19775000 0.07875000 0.73250000 +v 0.19925000 0.06125000 0.72950000 +v 0.19925000 0.06125000 0.73250000 +v 0.19925000 0.07875000 0.72950000 +v 0.19925000 0.07875000 0.73250000 +f 20 12 4 +f 1 17 9 +f 23 15 7 +f 13 21 5 +f 16 24 8 +f 19 3 11 +f 18 2 10 +f 6 22 14 +f 5 7 6 +f 6 7 8 +f 1 2 3 +f 3 2 4 +f 12 3 4 +f 11 3 12 +f 20 2 18 +f 4 2 20 +f 24 6 8 +f 24 22 6 +f 24 20 18 +f 18 22 24 +f 23 7 5 +f 5 21 23 +f 17 21 13 +f 13 9 17 +f 20 24 16 +f 12 20 16 +f 8 7 16 +f 7 15 16 +f 11 12 16 +f 16 15 11 +f 11 15 19 +f 15 23 19 +f 1 3 19 +f 19 17 1 +f 19 23 21 +f 19 21 17 +f 10 2 1 +f 1 9 10 +f 14 22 18 +f 18 10 14 +f 5 6 14 +f 14 13 5 +f 9 13 14 +f 14 10 9 + diff --git a/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__rid_vent_2.mtl b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__rid_vent_2.mtl new file mode 100644 index 0000000000000000000000000000000000000000..726e8232c6dcaffd1cd6a8a4edcb87eb4ce080dd --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__rid_vent_2.mtl @@ -0,0 +1,6 @@ +newmtl agilent_1290infinity__rid_vent_2 +Kd 0.1400 0.1700 0.2000 +Ka 0 0 0 +Ks 0.05 0.05 0.05 +Ns 20 +d 1 diff --git a/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__rid_vent_2.obj b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__rid_vent_2.obj new file mode 100644 index 0000000000000000000000000000000000000000..b0bc6319d1643d392dbafc178455026a0d6bd466 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__rid_vent_2.obj @@ -0,0 +1,72 @@ +mtllib agilent_1290infinity__rid_vent_2.mtl +usemtl agilent_1290infinity__rid_vent_2 +# https://github.com/mikedh/trimesh +v 0.19750000 0.07625000 0.72975000 +v 0.19750000 0.07625000 0.73225000 +v 0.19750000 0.09375000 0.72975000 +v 0.19750000 0.09375000 0.73225000 +v 0.19950000 0.07625000 0.72975000 +v 0.19950000 0.07625000 0.73225000 +v 0.19950000 0.09375000 0.72975000 +v 0.19950000 0.09375000 0.73225000 +v 0.19775000 0.07600000 0.72975000 +v 0.19775000 0.07600000 0.73225000 +v 0.19775000 0.09400000 0.72975000 +v 0.19775000 0.09400000 0.73225000 +v 0.19925000 0.07600000 0.72975000 +v 0.19925000 0.07600000 0.73225000 +v 0.19925000 0.09400000 0.72975000 +v 0.19925000 0.09400000 0.73225000 +v 0.19775000 0.07625000 0.72950000 +v 0.19775000 0.07625000 0.73250000 +v 0.19775000 0.09375000 0.72950000 +v 0.19775000 0.09375000 0.73250000 +v 0.19925000 0.07625000 0.72950000 +v 0.19925000 0.07625000 0.73250000 +v 0.19925000 0.09375000 0.72950000 +v 0.19925000 0.09375000 0.73250000 +f 20 12 4 +f 1 17 9 +f 23 15 7 +f 13 21 5 +f 16 24 8 +f 19 3 11 +f 18 2 10 +f 6 22 14 +f 5 7 6 +f 6 7 8 +f 1 2 3 +f 3 2 4 +f 12 3 4 +f 11 3 12 +f 20 2 18 +f 4 2 20 +f 24 6 8 +f 24 22 6 +f 24 20 18 +f 18 22 24 +f 23 7 5 +f 5 21 23 +f 17 21 13 +f 13 9 17 +f 20 24 16 +f 12 20 16 +f 8 7 16 +f 7 15 16 +f 11 12 16 +f 16 15 11 +f 11 15 19 +f 15 23 19 +f 1 3 19 +f 19 17 1 +f 19 23 21 +f 19 21 17 +f 10 2 1 +f 1 9 10 +f 14 22 18 +f 18 10 14 +f 5 6 14 +f 14 13 5 +f 9 13 14 +f 14 10 9 + diff --git a/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__rid_vent_3.mtl b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__rid_vent_3.mtl new file mode 100644 index 0000000000000000000000000000000000000000..bcbc44ac30cc134ea896784e527332a4fe6d1e93 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__rid_vent_3.mtl @@ -0,0 +1,6 @@ +newmtl agilent_1290infinity__rid_vent_3 +Kd 0.1400 0.1700 0.2000 +Ka 0 0 0 +Ks 0.05 0.05 0.05 +Ns 20 +d 1 diff --git a/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__rid_vent_3.obj b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__rid_vent_3.obj new file mode 100644 index 0000000000000000000000000000000000000000..a4f6c5e26b5bfdee55ce94df2dc653c131e3ec46 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__rid_vent_3.obj @@ -0,0 +1,72 @@ +mtllib agilent_1290infinity__rid_vent_3.mtl +usemtl agilent_1290infinity__rid_vent_3 +# https://github.com/mikedh/trimesh +v 0.19750000 0.09125000 0.72975000 +v 0.19750000 0.09125000 0.73225000 +v 0.19750000 0.10875000 0.72975000 +v 0.19750000 0.10875000 0.73225000 +v 0.19950000 0.09125000 0.72975000 +v 0.19950000 0.09125000 0.73225000 +v 0.19950000 0.10875000 0.72975000 +v 0.19950000 0.10875000 0.73225000 +v 0.19775000 0.09100000 0.72975000 +v 0.19775000 0.09100000 0.73225000 +v 0.19775000 0.10900000 0.72975000 +v 0.19775000 0.10900000 0.73225000 +v 0.19925000 0.09100000 0.72975000 +v 0.19925000 0.09100000 0.73225000 +v 0.19925000 0.10900000 0.72975000 +v 0.19925000 0.10900000 0.73225000 +v 0.19775000 0.09125000 0.72950000 +v 0.19775000 0.09125000 0.73250000 +v 0.19775000 0.10875000 0.72950000 +v 0.19775000 0.10875000 0.73250000 +v 0.19925000 0.09125000 0.72950000 +v 0.19925000 0.09125000 0.73250000 +v 0.19925000 0.10875000 0.72950000 +v 0.19925000 0.10875000 0.73250000 +f 20 12 4 +f 1 17 9 +f 23 15 7 +f 13 21 5 +f 16 24 8 +f 19 3 11 +f 18 2 10 +f 6 22 14 +f 5 7 6 +f 6 7 8 +f 1 2 3 +f 3 2 4 +f 12 3 4 +f 11 3 12 +f 20 2 18 +f 4 2 20 +f 24 6 8 +f 24 22 6 +f 24 20 18 +f 18 22 24 +f 23 7 5 +f 5 21 23 +f 17 21 13 +f 13 9 17 +f 20 24 16 +f 12 20 16 +f 8 7 16 +f 7 15 16 +f 11 12 16 +f 16 15 11 +f 11 15 19 +f 15 23 19 +f 1 3 19 +f 19 17 1 +f 19 23 21 +f 19 21 17 +f 10 2 1 +f 1 9 10 +f 14 22 18 +f 18 10 14 +f 5 6 14 +f 14 13 5 +f 9 13 14 +f 14 10 9 + diff --git a/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__rid_vent_4.mtl b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__rid_vent_4.mtl new file mode 100644 index 0000000000000000000000000000000000000000..52279774a56a9faf186b35fb514ba2066b686c2f --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__rid_vent_4.mtl @@ -0,0 +1,6 @@ +newmtl agilent_1290infinity__rid_vent_4 +Kd 0.1400 0.1700 0.2000 +Ka 0 0 0 +Ks 0.05 0.05 0.05 +Ns 20 +d 1 diff --git a/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__rid_vent_4.obj b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__rid_vent_4.obj new file mode 100644 index 0000000000000000000000000000000000000000..56858f3cb6681bd5ef3af2f1ea462ccda9df67b5 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__rid_vent_4.obj @@ -0,0 +1,72 @@ +mtllib agilent_1290infinity__rid_vent_4.mtl +usemtl agilent_1290infinity__rid_vent_4 +# https://github.com/mikedh/trimesh +v 0.19750000 0.10625000 0.72975000 +v 0.19750000 0.10625000 0.73225000 +v 0.19750000 0.12375000 0.72975000 +v 0.19750000 0.12375000 0.73225000 +v 0.19950000 0.10625000 0.72975000 +v 0.19950000 0.10625000 0.73225000 +v 0.19950000 0.12375000 0.72975000 +v 0.19950000 0.12375000 0.73225000 +v 0.19775000 0.10600000 0.72975000 +v 0.19775000 0.10600000 0.73225000 +v 0.19775000 0.12400000 0.72975000 +v 0.19775000 0.12400000 0.73225000 +v 0.19925000 0.10600000 0.72975000 +v 0.19925000 0.10600000 0.73225000 +v 0.19925000 0.12400000 0.72975000 +v 0.19925000 0.12400000 0.73225000 +v 0.19775000 0.10625000 0.72950000 +v 0.19775000 0.10625000 0.73250000 +v 0.19775000 0.12375000 0.72950000 +v 0.19775000 0.12375000 0.73250000 +v 0.19925000 0.10625000 0.72950000 +v 0.19925000 0.10625000 0.73250000 +v 0.19925000 0.12375000 0.72950000 +v 0.19925000 0.12375000 0.73250000 +f 20 12 4 +f 1 17 9 +f 23 15 7 +f 13 21 5 +f 16 24 8 +f 19 3 11 +f 18 2 10 +f 6 22 14 +f 5 7 6 +f 6 7 8 +f 1 2 3 +f 3 2 4 +f 12 3 4 +f 11 3 12 +f 20 2 18 +f 4 2 20 +f 24 6 8 +f 24 22 6 +f 24 20 18 +f 18 22 24 +f 23 7 5 +f 5 21 23 +f 17 21 13 +f 13 9 17 +f 20 24 16 +f 12 20 16 +f 8 7 16 +f 7 15 16 +f 11 12 16 +f 16 15 11 +f 11 15 19 +f 15 23 19 +f 1 3 19 +f 19 17 1 +f 19 23 21 +f 19 21 17 +f 10 2 1 +f 1 9 10 +f 14 22 18 +f 18 10 14 +f 5 6 14 +f 14 13 5 +f 9 13 14 +f 14 10 9 + diff --git a/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__rid_vent_5.mtl b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__rid_vent_5.mtl new file mode 100644 index 0000000000000000000000000000000000000000..6297fcdfbb818d7a99f78863762c065a94de9043 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__rid_vent_5.mtl @@ -0,0 +1,6 @@ +newmtl agilent_1290infinity__rid_vent_5 +Kd 0.1400 0.1700 0.2000 +Ka 0 0 0 +Ks 0.05 0.05 0.05 +Ns 20 +d 1 diff --git a/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__rid_vent_5.obj b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__rid_vent_5.obj new file mode 100644 index 0000000000000000000000000000000000000000..96637c65316e79885d5d67915b26793f783d408f --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__rid_vent_5.obj @@ -0,0 +1,72 @@ +mtllib agilent_1290infinity__rid_vent_5.mtl +usemtl agilent_1290infinity__rid_vent_5 +# https://github.com/mikedh/trimesh +v 0.19750000 0.12125000 0.72975000 +v 0.19750000 0.12125000 0.73225000 +v 0.19750000 0.13875000 0.72975000 +v 0.19750000 0.13875000 0.73225000 +v 0.19950000 0.12125000 0.72975000 +v 0.19950000 0.12125000 0.73225000 +v 0.19950000 0.13875000 0.72975000 +v 0.19950000 0.13875000 0.73225000 +v 0.19775000 0.12100000 0.72975000 +v 0.19775000 0.12100000 0.73225000 +v 0.19775000 0.13900000 0.72975000 +v 0.19775000 0.13900000 0.73225000 +v 0.19925000 0.12100000 0.72975000 +v 0.19925000 0.12100000 0.73225000 +v 0.19925000 0.13900000 0.72975000 +v 0.19925000 0.13900000 0.73225000 +v 0.19775000 0.12125000 0.72950000 +v 0.19775000 0.12125000 0.73250000 +v 0.19775000 0.13875000 0.72950000 +v 0.19775000 0.13875000 0.73250000 +v 0.19925000 0.12125000 0.72950000 +v 0.19925000 0.12125000 0.73250000 +v 0.19925000 0.13875000 0.72950000 +v 0.19925000 0.13875000 0.73250000 +f 20 12 4 +f 1 17 9 +f 23 15 7 +f 13 21 5 +f 16 24 8 +f 19 3 11 +f 18 2 10 +f 6 22 14 +f 5 7 6 +f 6 7 8 +f 1 2 3 +f 3 2 4 +f 12 3 4 +f 11 3 12 +f 20 2 18 +f 4 2 20 +f 24 6 8 +f 24 22 6 +f 24 20 18 +f 18 22 24 +f 23 7 5 +f 5 21 23 +f 17 21 13 +f 13 9 17 +f 20 24 16 +f 12 20 16 +f 8 7 16 +f 7 15 16 +f 11 12 16 +f 16 15 11 +f 11 15 19 +f 15 23 19 +f 1 3 19 +f 19 17 1 +f 19 23 21 +f 19 21 17 +f 10 2 1 +f 1 9 10 +f 14 22 18 +f 18 10 14 +f 5 6 14 +f 14 13 5 +f 9 13 14 +f 14 10 9 + diff --git a/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__rid_vent_6.mtl b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__rid_vent_6.mtl new file mode 100644 index 0000000000000000000000000000000000000000..bbbeff6bcf5e0865cb80e1f88b9242bd09bc8d3b --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__rid_vent_6.mtl @@ -0,0 +1,6 @@ +newmtl agilent_1290infinity__rid_vent_6 +Kd 0.1400 0.1700 0.2000 +Ka 0 0 0 +Ks 0.05 0.05 0.05 +Ns 20 +d 1 diff --git a/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__rid_vent_6.obj b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__rid_vent_6.obj new file mode 100644 index 0000000000000000000000000000000000000000..8f7654b6e4e519c1a53bb1bfeaf04dd471f77c29 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__rid_vent_6.obj @@ -0,0 +1,72 @@ +mtllib agilent_1290infinity__rid_vent_6.mtl +usemtl agilent_1290infinity__rid_vent_6 +# https://github.com/mikedh/trimesh +v 0.19750000 0.13625000 0.72975000 +v 0.19750000 0.13625000 0.73225000 +v 0.19750000 0.15375000 0.72975000 +v 0.19750000 0.15375000 0.73225000 +v 0.19950000 0.13625000 0.72975000 +v 0.19950000 0.13625000 0.73225000 +v 0.19950000 0.15375000 0.72975000 +v 0.19950000 0.15375000 0.73225000 +v 0.19775000 0.13600000 0.72975000 +v 0.19775000 0.13600000 0.73225000 +v 0.19775000 0.15400000 0.72975000 +v 0.19775000 0.15400000 0.73225000 +v 0.19925000 0.13600000 0.72975000 +v 0.19925000 0.13600000 0.73225000 +v 0.19925000 0.15400000 0.72975000 +v 0.19925000 0.15400000 0.73225000 +v 0.19775000 0.13625000 0.72950000 +v 0.19775000 0.13625000 0.73250000 +v 0.19775000 0.15375000 0.72950000 +v 0.19775000 0.15375000 0.73250000 +v 0.19925000 0.13625000 0.72950000 +v 0.19925000 0.13625000 0.73250000 +v 0.19925000 0.15375000 0.72950000 +v 0.19925000 0.15375000 0.73250000 +f 20 12 4 +f 1 17 9 +f 23 15 7 +f 13 21 5 +f 16 24 8 +f 19 3 11 +f 18 2 10 +f 6 22 14 +f 5 7 6 +f 6 7 8 +f 1 2 3 +f 3 2 4 +f 12 3 4 +f 11 3 12 +f 20 2 18 +f 4 2 20 +f 24 6 8 +f 24 22 6 +f 24 20 18 +f 18 22 24 +f 23 7 5 +f 5 21 23 +f 17 21 13 +f 13 9 17 +f 20 24 16 +f 12 20 16 +f 8 7 16 +f 7 15 16 +f 11 12 16 +f 16 15 11 +f 11 15 19 +f 15 23 19 +f 1 3 19 +f 19 17 1 +f 19 23 21 +f 19 21 17 +f 10 2 1 +f 1 9 10 +f 14 22 18 +f 18 10 14 +f 5 6 14 +f 14 13 5 +f 9 13 14 +f 14 10 9 + diff --git a/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__rid_vent_7.mtl b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__rid_vent_7.mtl new file mode 100644 index 0000000000000000000000000000000000000000..22d2459c1f3ccba6865ba97a16f5914426bcc4f7 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__rid_vent_7.mtl @@ -0,0 +1,6 @@ +newmtl agilent_1290infinity__rid_vent_7 +Kd 0.1400 0.1700 0.2000 +Ka 0 0 0 +Ks 0.05 0.05 0.05 +Ns 20 +d 1 diff --git a/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__rid_vent_7.obj b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__rid_vent_7.obj new file mode 100644 index 0000000000000000000000000000000000000000..0ff29c4b919f6763a8bfe15ea1826126d388d7e0 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__rid_vent_7.obj @@ -0,0 +1,72 @@ +mtllib agilent_1290infinity__rid_vent_7.mtl +usemtl agilent_1290infinity__rid_vent_7 +# https://github.com/mikedh/trimesh +v 0.19750000 0.15125000 0.72975000 +v 0.19750000 0.15125000 0.73225000 +v 0.19750000 0.16875000 0.72975000 +v 0.19750000 0.16875000 0.73225000 +v 0.19950000 0.15125000 0.72975000 +v 0.19950000 0.15125000 0.73225000 +v 0.19950000 0.16875000 0.72975000 +v 0.19950000 0.16875000 0.73225000 +v 0.19775000 0.15100000 0.72975000 +v 0.19775000 0.15100000 0.73225000 +v 0.19775000 0.16900000 0.72975000 +v 0.19775000 0.16900000 0.73225000 +v 0.19925000 0.15100000 0.72975000 +v 0.19925000 0.15100000 0.73225000 +v 0.19925000 0.16900000 0.72975000 +v 0.19925000 0.16900000 0.73225000 +v 0.19775000 0.15125000 0.72950000 +v 0.19775000 0.15125000 0.73250000 +v 0.19775000 0.16875000 0.72950000 +v 0.19775000 0.16875000 0.73250000 +v 0.19925000 0.15125000 0.72950000 +v 0.19925000 0.15125000 0.73250000 +v 0.19925000 0.16875000 0.72950000 +v 0.19925000 0.16875000 0.73250000 +f 20 12 4 +f 1 17 9 +f 23 15 7 +f 13 21 5 +f 16 24 8 +f 19 3 11 +f 18 2 10 +f 6 22 14 +f 5 7 6 +f 6 7 8 +f 1 2 3 +f 3 2 4 +f 12 3 4 +f 11 3 12 +f 20 2 18 +f 4 2 20 +f 24 6 8 +f 24 22 6 +f 24 20 18 +f 18 22 24 +f 23 7 5 +f 5 21 23 +f 17 21 13 +f 13 9 17 +f 20 24 16 +f 12 20 16 +f 8 7 16 +f 7 15 16 +f 11 12 16 +f 16 15 11 +f 11 15 19 +f 15 23 19 +f 1 3 19 +f 19 17 1 +f 19 23 21 +f 19 21 17 +f 10 2 1 +f 1 9 10 +f 14 22 18 +f 18 10 14 +f 5 6 14 +f 14 13 5 +f 9 13 14 +f 14 10 9 + diff --git a/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__sample_drawer.mtl b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__sample_drawer.mtl new file mode 100644 index 0000000000000000000000000000000000000000..60b36dd31ee17214614b706f46f86f82f43632f4 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__sample_drawer.mtl @@ -0,0 +1,6 @@ +newmtl agilent_1290infinity__sample_drawer +Kd 0.1400 0.1700 0.2000 +Ka 0 0 0 +Ks 0.05 0.05 0.05 +Ns 20 +d 1 diff --git a/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__sample_drawer.obj b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__sample_drawer.obj new file mode 100644 index 0000000000000000000000000000000000000000..d0f389ae6018daf166329fbcc961c7d2ae302844 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__sample_drawer.obj @@ -0,0 +1,72 @@ +mtllib agilent_1290infinity__sample_drawer.mtl +usemtl agilent_1290infinity__sample_drawer +# https://github.com/mikedh/trimesh +v -0.11500000 -0.00450000 0.00150000 +v -0.11500000 -0.00450000 0.07350000 +v -0.11500000 0.00450000 0.00150000 +v -0.11500000 0.00450000 0.07350000 +v 0.11500000 -0.00450000 0.00150000 +v 0.11500000 -0.00450000 0.07350000 +v 0.11500000 0.00450000 0.00150000 +v 0.11500000 0.00450000 0.07350000 +v -0.11350000 -0.00600000 0.00150000 +v -0.11350000 -0.00600000 0.07350000 +v -0.11350000 0.00600000 0.00150000 +v -0.11350000 0.00600000 0.07350000 +v 0.11350000 -0.00600000 0.00150000 +v 0.11350000 -0.00600000 0.07350000 +v 0.11350000 0.00600000 0.00150000 +v 0.11350000 0.00600000 0.07350000 +v -0.11350000 -0.00450000 0.00000000 +v -0.11350000 -0.00450000 0.07500000 +v -0.11350000 0.00450000 0.00000000 +v -0.11350000 0.00450000 0.07500000 +v 0.11350000 -0.00450000 0.00000000 +v 0.11350000 -0.00450000 0.07500000 +v 0.11350000 0.00450000 0.00000000 +v 0.11350000 0.00450000 0.07500000 +f 1 17 9 +f 20 12 4 +f 7 23 15 +f 19 3 11 +f 24 8 16 +f 14 6 22 +f 18 2 10 +f 13 21 5 +f 1 2 3 +f 3 2 4 +f 16 15 12 +f 12 15 11 +f 12 3 4 +f 11 3 12 +f 4 2 20 +f 20 2 18 +f 7 21 23 +f 5 21 7 +f 7 15 16 +f 16 8 7 +f 11 15 19 +f 15 23 19 +f 23 21 19 +f 19 21 17 +f 1 3 19 +f 19 17 1 +f 5 7 6 +f 6 7 8 +f 24 6 8 +f 22 6 24 +f 16 12 24 +f 12 20 24 +f 24 20 18 +f 18 22 24 +f 10 2 1 +f 1 9 10 +f 10 22 18 +f 10 14 22 +f 5 6 13 +f 6 14 13 +f 17 21 13 +f 13 9 17 +f 13 10 9 +f 14 10 13 + diff --git a/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__sample_tray.mtl b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__sample_tray.mtl new file mode 100644 index 0000000000000000000000000000000000000000..46292cb523ccf7e94c654ab1424b6b458010a2d3 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__sample_tray.mtl @@ -0,0 +1,6 @@ +newmtl agilent_1290infinity__sample_tray +Kd 0.2700 0.3100 0.3400 +Ka 0 0 0 +Ks 0.05 0.05 0.05 +Ns 20 +d 1 diff --git a/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__sample_tray.obj b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__sample_tray.obj new file mode 100644 index 0000000000000000000000000000000000000000..418f44153c232c6a60d28419a3731d56f55f4eda --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__sample_tray.obj @@ -0,0 +1,72 @@ +mtllib agilent_1290infinity__sample_tray.mtl +usemtl agilent_1290infinity__sample_tray +# https://github.com/mikedh/trimesh +v -0.11100000 -0.00200000 0.01000000 +v -0.11100000 -0.00200000 0.01600000 +v -0.11100000 0.30600000 0.01000000 +v -0.11100000 0.30600000 0.01600000 +v 0.11100000 -0.00200000 0.01000000 +v 0.11100000 -0.00200000 0.01600000 +v 0.11100000 0.30600000 0.01000000 +v 0.11100000 0.30600000 0.01600000 +v -0.11000000 -0.00300000 0.01000000 +v -0.11000000 -0.00300000 0.01600000 +v -0.11000000 0.30700000 0.01000000 +v -0.11000000 0.30700000 0.01600000 +v 0.11000000 -0.00300000 0.01000000 +v 0.11000000 -0.00300000 0.01600000 +v 0.11000000 0.30700000 0.01000000 +v 0.11000000 0.30700000 0.01600000 +v -0.11000000 -0.00200000 0.00900000 +v -0.11000000 -0.00200000 0.01700000 +v -0.11000000 0.30600000 0.00900000 +v -0.11000000 0.30600000 0.01700000 +v 0.11000000 -0.00200000 0.00900000 +v 0.11000000 -0.00200000 0.01700000 +v 0.11000000 0.30600000 0.00900000 +v 0.11000000 0.30600000 0.01700000 +f 20 12 4 +f 1 17 9 +f 8 16 24 +f 19 3 11 +f 7 23 15 +f 18 2 10 +f 13 21 5 +f 14 6 22 +f 1 2 3 +f 3 2 4 +f 12 3 4 +f 11 3 12 +f 18 22 20 +f 20 22 24 +f 20 2 18 +f 4 2 20 +f 16 20 24 +f 12 20 16 +f 5 21 23 +f 23 7 5 +f 24 22 8 +f 22 6 8 +f 5 7 8 +f 8 6 5 +f 1 3 19 +f 19 17 1 +f 19 23 21 +f 19 21 17 +f 11 12 15 +f 12 16 15 +f 23 19 15 +f 15 19 11 +f 15 8 7 +f 16 8 15 +f 10 2 1 +f 1 9 10 +f 17 21 13 +f 13 9 17 +f 5 6 14 +f 14 13 5 +f 14 22 18 +f 18 10 14 +f 14 10 9 +f 9 13 14 + diff --git a/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__sample_vial.mtl b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__sample_vial.mtl new file mode 100644 index 0000000000000000000000000000000000000000..3572ae89912cb13b7ed3f763f2a54faa1479697a --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__sample_vial.mtl @@ -0,0 +1,6 @@ +newmtl agilent_1290infinity__sample_vial +Kd 0.6800 0.7500 0.7700 +Ka 0 0 0 +Ks 0.05 0.05 0.05 +Ns 20 +d 1 diff --git a/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__sample_vial.obj b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__sample_vial.obj new file mode 100644 index 0000000000000000000000000000000000000000..a75efd80ebc535dd4962a3e7657d3abb5d5e1079 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__sample_vial.obj @@ -0,0 +1,294 @@ +mtllib agilent_1290infinity__sample_vial.mtl +usemtl agilent_1290infinity__sample_vial +# https://github.com/mikedh/trimesh +v -0.09000000 0.04000000 0.02100000 +v -0.08420000 0.04000000 0.02100000 +v -0.08420000 0.04000000 0.05100000 +v -0.09000000 0.04000000 0.05100000 +v -0.08424962 0.04075705 0.02100000 +v -0.08424962 0.04075705 0.05100000 +v -0.08439763 0.04150115 0.02100000 +v -0.08439763 0.04150115 0.05100000 +v -0.08464150 0.04221956 0.02100000 +v -0.08464150 0.04221956 0.05100000 +v -0.08497705 0.04290000 0.02100000 +v -0.08497705 0.04290000 0.05100000 +v -0.08539855 0.04353082 0.02100000 +v -0.08539855 0.04353082 0.05100000 +v -0.08589878 0.04410122 0.02100000 +v -0.08589878 0.04410122 0.05100000 +v -0.08646918 0.04460145 0.02100000 +v -0.08646918 0.04460145 0.05100000 +v -0.08710000 0.04502295 0.02100000 +v -0.08710000 0.04502295 0.05100000 +v -0.08778044 0.04535850 0.02100000 +v -0.08778044 0.04535850 0.05100000 +v -0.08849885 0.04560237 0.02100000 +v -0.08849885 0.04560237 0.05100000 +v -0.08924295 0.04575038 0.02100000 +v -0.08924295 0.04575038 0.05100000 +v -0.09000000 0.04580000 0.02100000 +v -0.09000000 0.04580000 0.05100000 +v -0.09075705 0.04575038 0.02100000 +v -0.09075705 0.04575038 0.05100000 +v -0.09150115 0.04560237 0.02100000 +v -0.09150115 0.04560237 0.05100000 +v -0.09221956 0.04535850 0.02100000 +v -0.09221956 0.04535850 0.05100000 +v -0.09290000 0.04502295 0.02100000 +v -0.09290000 0.04502295 0.05100000 +v -0.09353082 0.04460145 0.02100000 +v -0.09353082 0.04460145 0.05100000 +v -0.09410122 0.04410122 0.02100000 +v -0.09410122 0.04410122 0.05100000 +v -0.09460145 0.04353082 0.02100000 +v -0.09460145 0.04353082 0.05100000 +v -0.09502295 0.04290000 0.02100000 +v -0.09502295 0.04290000 0.05100000 +v -0.09535850 0.04221956 0.02100000 +v -0.09535850 0.04221956 0.05100000 +v -0.09560237 0.04150115 0.02100000 +v -0.09560237 0.04150115 0.05100000 +v -0.09575038 0.04075705 0.02100000 +v -0.09575038 0.04075705 0.05100000 +v -0.09580000 0.04000000 0.02100000 +v -0.09580000 0.04000000 0.05100000 +v -0.09575038 0.03924295 0.02100000 +v -0.09575038 0.03924295 0.05100000 +v -0.09560237 0.03849885 0.02100000 +v -0.09560237 0.03849885 0.05100000 +v -0.09535850 0.03778044 0.02100000 +v -0.09535850 0.03778044 0.05100000 +v -0.09502295 0.03710000 0.02100000 +v -0.09502295 0.03710000 0.05100000 +v -0.09460145 0.03646918 0.02100000 +v -0.09460145 0.03646918 0.05100000 +v -0.09410122 0.03589878 0.02100000 +v -0.09410122 0.03589878 0.05100000 +v -0.09353082 0.03539855 0.02100000 +v -0.09353082 0.03539855 0.05100000 +v -0.09290000 0.03497705 0.02100000 +v -0.09290000 0.03497705 0.05100000 +v -0.09221956 0.03464150 0.02100000 +v -0.09221956 0.03464150 0.05100000 +v -0.09150115 0.03439763 0.02100000 +v -0.09150115 0.03439763 0.05100000 +v -0.09075705 0.03424962 0.02100000 +v -0.09075705 0.03424962 0.05100000 +v -0.09000000 0.03420000 0.02100000 +v -0.09000000 0.03420000 0.05100000 +v -0.08924295 0.03424962 0.02100000 +v -0.08924295 0.03424962 0.05100000 +v -0.08849885 0.03439763 0.02100000 +v -0.08849885 0.03439763 0.05100000 +v -0.08778044 0.03464150 0.02100000 +v -0.08778044 0.03464150 0.05100000 +v -0.08710000 0.03497705 0.02100000 +v -0.08710000 0.03497705 0.05100000 +v -0.08646918 0.03539855 0.02100000 +v -0.08646918 0.03539855 0.05100000 +v -0.08589878 0.03589878 0.02100000 +v -0.08589878 0.03589878 0.05100000 +v -0.08539855 0.03646918 0.02100000 +v -0.08539855 0.03646918 0.05100000 +v -0.08497705 0.03710000 0.02100000 +v -0.08497705 0.03710000 0.05100000 +v -0.08464150 0.03778044 0.02100000 +v -0.08464150 0.03778044 0.05100000 +v -0.08439763 0.03849885 0.02100000 +v -0.08439763 0.03849885 0.05100000 +v -0.08424962 0.03924295 0.02100000 +v -0.08424962 0.03924295 0.05100000 +f 2 1 5 +f 2 5 3 +f 3 5 6 +f 3 6 4 +f 5 1 7 +f 5 7 6 +f 6 7 8 +f 6 8 4 +f 7 1 9 +f 7 9 8 +f 8 9 10 +f 8 10 4 +f 9 1 11 +f 9 11 10 +f 10 11 12 +f 10 12 4 +f 11 1 13 +f 11 13 12 +f 12 13 14 +f 12 14 4 +f 13 1 15 +f 13 15 14 +f 14 15 16 +f 14 16 4 +f 15 1 17 +f 15 17 16 +f 16 17 18 +f 16 18 4 +f 17 1 19 +f 17 19 18 +f 18 19 20 +f 18 20 4 +f 19 1 21 +f 19 21 20 +f 20 21 22 +f 20 22 4 +f 21 1 23 +f 21 23 22 +f 22 23 24 +f 22 24 4 +f 23 1 25 +f 23 25 24 +f 24 25 26 +f 24 26 4 +f 25 1 27 +f 25 27 26 +f 26 27 28 +f 26 28 4 +f 27 1 29 +f 27 29 28 +f 28 29 30 +f 28 30 4 +f 29 1 31 +f 29 31 30 +f 30 31 32 +f 30 32 4 +f 31 1 33 +f 31 33 32 +f 32 33 34 +f 32 34 4 +f 33 1 35 +f 33 35 34 +f 34 35 36 +f 34 36 4 +f 35 1 37 +f 35 37 36 +f 36 37 38 +f 36 38 4 +f 37 1 39 +f 37 39 38 +f 38 39 40 +f 38 40 4 +f 39 1 41 +f 39 41 40 +f 40 41 42 +f 40 42 4 +f 41 1 43 +f 41 43 42 +f 42 43 44 +f 42 44 4 +f 43 1 45 +f 43 45 44 +f 44 45 46 +f 44 46 4 +f 45 1 47 +f 45 47 46 +f 46 47 48 +f 46 48 4 +f 47 1 49 +f 47 49 48 +f 48 49 50 +f 48 50 4 +f 49 1 51 +f 49 51 50 +f 50 51 52 +f 50 52 4 +f 51 1 53 +f 51 53 52 +f 52 53 54 +f 52 54 4 +f 53 1 55 +f 53 55 54 +f 54 55 56 +f 54 56 4 +f 55 1 57 +f 55 57 56 +f 56 57 58 +f 56 58 4 +f 57 1 59 +f 57 59 58 +f 58 59 60 +f 58 60 4 +f 59 1 61 +f 59 61 60 +f 60 61 62 +f 60 62 4 +f 61 1 63 +f 61 63 62 +f 62 63 64 +f 62 64 4 +f 63 1 65 +f 63 65 64 +f 64 65 66 +f 64 66 4 +f 65 1 67 +f 65 67 66 +f 66 67 68 +f 66 68 4 +f 67 1 69 +f 67 69 68 +f 68 69 70 +f 68 70 4 +f 69 1 71 +f 69 71 70 +f 70 71 72 +f 70 72 4 +f 71 1 73 +f 71 73 72 +f 72 73 74 +f 72 74 4 +f 73 1 75 +f 73 75 74 +f 74 75 76 +f 74 76 4 +f 75 1 77 +f 75 77 76 +f 76 77 78 +f 76 78 4 +f 77 1 79 +f 77 79 78 +f 78 79 80 +f 78 80 4 +f 79 1 81 +f 79 81 80 +f 80 81 82 +f 80 82 4 +f 81 1 83 +f 81 83 82 +f 82 83 84 +f 82 84 4 +f 83 1 85 +f 83 85 84 +f 84 85 86 +f 84 86 4 +f 85 1 87 +f 85 87 86 +f 86 87 88 +f 86 88 4 +f 87 1 89 +f 87 89 88 +f 88 89 90 +f 88 90 4 +f 89 1 91 +f 89 91 90 +f 90 91 92 +f 90 92 4 +f 91 1 93 +f 91 93 92 +f 92 93 94 +f 92 94 4 +f 93 1 95 +f 93 95 94 +f 94 95 96 +f 94 96 4 +f 95 1 97 +f 95 97 96 +f 96 97 98 +f 96 98 4 +f 97 1 2 +f 97 2 98 +f 98 2 3 +f 98 3 4 + diff --git a/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__sample_vial_cap.mtl b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__sample_vial_cap.mtl new file mode 100644 index 0000000000000000000000000000000000000000..ac262e159f8c3bd087758bb20fe7e3b29a5033b3 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__sample_vial_cap.mtl @@ -0,0 +1,6 @@ +newmtl agilent_1290infinity__sample_vial_cap +Kd 0.0400 0.3600 0.5700 +Ka 0 0 0 +Ks 0.05 0.05 0.05 +Ns 20 +d 1 diff --git a/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__sample_vial_cap.obj b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__sample_vial_cap.obj new file mode 100644 index 0000000000000000000000000000000000000000..41c691a0d087478ca023dc15f09723cf06a28379 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__sample_vial_cap.obj @@ -0,0 +1,294 @@ +mtllib agilent_1290infinity__sample_vial_cap.mtl +usemtl agilent_1290infinity__sample_vial_cap +# https://github.com/mikedh/trimesh +v -0.09000000 0.04000000 0.05100000 +v -0.08360000 0.04000000 0.05100000 +v -0.08360000 0.04000000 0.05800000 +v -0.09000000 0.04000000 0.05800000 +v -0.08365475 0.04083537 0.05100000 +v -0.08365475 0.04083537 0.05800000 +v -0.08381807 0.04165644 0.05100000 +v -0.08381807 0.04165644 0.05800000 +v -0.08408717 0.04244917 0.05100000 +v -0.08408717 0.04244917 0.05800000 +v -0.08445744 0.04320000 0.05100000 +v -0.08445744 0.04320000 0.05800000 +v -0.08492254 0.04389607 0.05100000 +v -0.08492254 0.04389607 0.05800000 +v -0.08547452 0.04452548 0.05100000 +v -0.08547452 0.04452548 0.05800000 +v -0.08610393 0.04507746 0.05100000 +v -0.08610393 0.04507746 0.05800000 +v -0.08680000 0.04554256 0.05100000 +v -0.08680000 0.04554256 0.05800000 +v -0.08755083 0.04591283 0.05100000 +v -0.08755083 0.04591283 0.05800000 +v -0.08834356 0.04618193 0.05100000 +v -0.08834356 0.04618193 0.05800000 +v -0.08916463 0.04634525 0.05100000 +v -0.08916463 0.04634525 0.05800000 +v -0.09000000 0.04640000 0.05100000 +v -0.09000000 0.04640000 0.05800000 +v -0.09083537 0.04634525 0.05100000 +v -0.09083537 0.04634525 0.05800000 +v -0.09165644 0.04618193 0.05100000 +v -0.09165644 0.04618193 0.05800000 +v -0.09244917 0.04591283 0.05100000 +v -0.09244917 0.04591283 0.05800000 +v -0.09320000 0.04554256 0.05100000 +v -0.09320000 0.04554256 0.05800000 +v -0.09389607 0.04507746 0.05100000 +v -0.09389607 0.04507746 0.05800000 +v -0.09452548 0.04452548 0.05100000 +v -0.09452548 0.04452548 0.05800000 +v -0.09507746 0.04389607 0.05100000 +v -0.09507746 0.04389607 0.05800000 +v -0.09554256 0.04320000 0.05100000 +v -0.09554256 0.04320000 0.05800000 +v -0.09591283 0.04244917 0.05100000 +v -0.09591283 0.04244917 0.05800000 +v -0.09618193 0.04165644 0.05100000 +v -0.09618193 0.04165644 0.05800000 +v -0.09634525 0.04083537 0.05100000 +v -0.09634525 0.04083537 0.05800000 +v -0.09640000 0.04000000 0.05100000 +v -0.09640000 0.04000000 0.05800000 +v -0.09634525 0.03916463 0.05100000 +v -0.09634525 0.03916463 0.05800000 +v -0.09618193 0.03834356 0.05100000 +v -0.09618193 0.03834356 0.05800000 +v -0.09591283 0.03755083 0.05100000 +v -0.09591283 0.03755083 0.05800000 +v -0.09554256 0.03680000 0.05100000 +v -0.09554256 0.03680000 0.05800000 +v -0.09507746 0.03610393 0.05100000 +v -0.09507746 0.03610393 0.05800000 +v -0.09452548 0.03547452 0.05100000 +v -0.09452548 0.03547452 0.05800000 +v -0.09389607 0.03492254 0.05100000 +v -0.09389607 0.03492254 0.05800000 +v -0.09320000 0.03445744 0.05100000 +v -0.09320000 0.03445744 0.05800000 +v -0.09244917 0.03408717 0.05100000 +v -0.09244917 0.03408717 0.05800000 +v -0.09165644 0.03381807 0.05100000 +v -0.09165644 0.03381807 0.05800000 +v -0.09083537 0.03365475 0.05100000 +v -0.09083537 0.03365475 0.05800000 +v -0.09000000 0.03360000 0.05100000 +v -0.09000000 0.03360000 0.05800000 +v -0.08916463 0.03365475 0.05100000 +v -0.08916463 0.03365475 0.05800000 +v -0.08834356 0.03381807 0.05100000 +v -0.08834356 0.03381807 0.05800000 +v -0.08755083 0.03408717 0.05100000 +v -0.08755083 0.03408717 0.05800000 +v -0.08680000 0.03445744 0.05100000 +v -0.08680000 0.03445744 0.05800000 +v -0.08610393 0.03492254 0.05100000 +v -0.08610393 0.03492254 0.05800000 +v -0.08547452 0.03547452 0.05100000 +v -0.08547452 0.03547452 0.05800000 +v -0.08492254 0.03610393 0.05100000 +v -0.08492254 0.03610393 0.05800000 +v -0.08445744 0.03680000 0.05100000 +v -0.08445744 0.03680000 0.05800000 +v -0.08408717 0.03755083 0.05100000 +v -0.08408717 0.03755083 0.05800000 +v -0.08381807 0.03834356 0.05100000 +v -0.08381807 0.03834356 0.05800000 +v -0.08365475 0.03916463 0.05100000 +v -0.08365475 0.03916463 0.05800000 +f 2 1 5 +f 2 5 3 +f 3 5 6 +f 3 6 4 +f 5 1 7 +f 5 7 6 +f 6 7 8 +f 6 8 4 +f 7 1 9 +f 7 9 8 +f 8 9 10 +f 8 10 4 +f 9 1 11 +f 9 11 10 +f 10 11 12 +f 10 12 4 +f 11 1 13 +f 11 13 12 +f 12 13 14 +f 12 14 4 +f 13 1 15 +f 13 15 14 +f 14 15 16 +f 14 16 4 +f 15 1 17 +f 15 17 16 +f 16 17 18 +f 16 18 4 +f 17 1 19 +f 17 19 18 +f 18 19 20 +f 18 20 4 +f 19 1 21 +f 19 21 20 +f 20 21 22 +f 20 22 4 +f 21 1 23 +f 21 23 22 +f 22 23 24 +f 22 24 4 +f 23 1 25 +f 23 25 24 +f 24 25 26 +f 24 26 4 +f 25 1 27 +f 25 27 26 +f 26 27 28 +f 26 28 4 +f 27 1 29 +f 27 29 28 +f 28 29 30 +f 28 30 4 +f 29 1 31 +f 29 31 30 +f 30 31 32 +f 30 32 4 +f 31 1 33 +f 31 33 32 +f 32 33 34 +f 32 34 4 +f 33 1 35 +f 33 35 34 +f 34 35 36 +f 34 36 4 +f 35 1 37 +f 35 37 36 +f 36 37 38 +f 36 38 4 +f 37 1 39 +f 37 39 38 +f 38 39 40 +f 38 40 4 +f 39 1 41 +f 39 41 40 +f 40 41 42 +f 40 42 4 +f 41 1 43 +f 41 43 42 +f 42 43 44 +f 42 44 4 +f 43 1 45 +f 43 45 44 +f 44 45 46 +f 44 46 4 +f 45 1 47 +f 45 47 46 +f 46 47 48 +f 46 48 4 +f 47 1 49 +f 47 49 48 +f 48 49 50 +f 48 50 4 +f 49 1 51 +f 49 51 50 +f 50 51 52 +f 50 52 4 +f 51 1 53 +f 51 53 52 +f 52 53 54 +f 52 54 4 +f 53 1 55 +f 53 55 54 +f 54 55 56 +f 54 56 4 +f 55 1 57 +f 55 57 56 +f 56 57 58 +f 56 58 4 +f 57 1 59 +f 57 59 58 +f 58 59 60 +f 58 60 4 +f 59 1 61 +f 59 61 60 +f 60 61 62 +f 60 62 4 +f 61 1 63 +f 61 63 62 +f 62 63 64 +f 62 64 4 +f 63 1 65 +f 63 65 64 +f 64 65 66 +f 64 66 4 +f 65 1 67 +f 65 67 66 +f 66 67 68 +f 66 68 4 +f 67 1 69 +f 67 69 68 +f 68 69 70 +f 68 70 4 +f 69 1 71 +f 69 71 70 +f 70 71 72 +f 70 72 4 +f 71 1 73 +f 71 73 72 +f 72 73 74 +f 72 74 4 +f 73 1 75 +f 73 75 74 +f 74 75 76 +f 74 76 4 +f 75 1 77 +f 75 77 76 +f 76 77 78 +f 76 78 4 +f 77 1 79 +f 77 79 78 +f 78 79 80 +f 78 80 4 +f 79 1 81 +f 79 81 80 +f 80 81 82 +f 80 82 4 +f 81 1 83 +f 81 83 82 +f 82 83 84 +f 82 84 4 +f 83 1 85 +f 83 85 84 +f 84 85 86 +f 84 86 4 +f 85 1 87 +f 85 87 86 +f 86 87 88 +f 86 88 4 +f 87 1 89 +f 87 89 88 +f 88 89 90 +f 88 90 4 +f 89 1 91 +f 89 91 90 +f 90 91 92 +f 90 92 4 +f 91 1 93 +f 91 93 92 +f 92 93 94 +f 92 94 4 +f 93 1 95 +f 93 95 94 +f 94 95 96 +f 94 96 4 +f 95 1 97 +f 95 97 96 +f 96 97 98 +f 96 98 4 +f 97 1 2 +f 97 2 98 +f 98 2 3 +f 98 3 4 + diff --git a/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__sampler_bottom.mtl b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__sampler_bottom.mtl new file mode 100644 index 0000000000000000000000000000000000000000..0bd92fe091176a62cc4d646178f4f9cb3b3333ca --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__sampler_bottom.mtl @@ -0,0 +1,6 @@ +newmtl agilent_1290infinity__sampler_bottom +Kd 0.1400 0.1700 0.2000 +Ka 0 0 0 +Ks 0.05 0.05 0.05 +Ns 20 +d 1 diff --git a/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__sampler_bottom.obj b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__sampler_bottom.obj new file mode 100644 index 0000000000000000000000000000000000000000..fa0a37644ecb2c6a8eec5ce8248c35ea7d1e1c82 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__sampler_bottom.obj @@ -0,0 +1,72 @@ +mtllib agilent_1290infinity__sampler_bottom.mtl +usemtl agilent_1290infinity__sampler_bottom +# https://github.com/mikedh/trimesh +v -0.19050000 -0.22375000 0.20225000 +v -0.19050000 -0.22375000 0.20975000 +v -0.19050000 0.22975000 0.20225000 +v -0.19050000 0.22975000 0.20975000 +v 0.19050000 -0.22375000 0.20225000 +v 0.19050000 -0.22375000 0.20975000 +v 0.19050000 0.22975000 0.20225000 +v 0.19050000 0.22975000 0.20975000 +v -0.18925000 -0.22500000 0.20225000 +v -0.18925000 -0.22500000 0.20975000 +v -0.18925000 0.23100000 0.20225000 +v -0.18925000 0.23100000 0.20975000 +v 0.18925000 -0.22500000 0.20225000 +v 0.18925000 -0.22500000 0.20975000 +v 0.18925000 0.23100000 0.20225000 +v 0.18925000 0.23100000 0.20975000 +v -0.18925000 -0.22375000 0.20100000 +v -0.18925000 -0.22375000 0.21100000 +v -0.18925000 0.22975000 0.20100000 +v -0.18925000 0.22975000 0.21100000 +v 0.18925000 -0.22375000 0.20100000 +v 0.18925000 -0.22375000 0.21100000 +v 0.18925000 0.22975000 0.20100000 +v 0.18925000 0.22975000 0.21100000 +f 20 12 4 +f 1 17 9 +f 8 16 24 +f 19 3 11 +f 7 23 15 +f 18 2 10 +f 13 21 5 +f 14 6 22 +f 1 2 3 +f 3 2 4 +f 12 3 4 +f 11 3 12 +f 18 22 20 +f 20 22 24 +f 20 2 18 +f 4 2 20 +f 16 20 24 +f 12 20 16 +f 5 21 23 +f 23 7 5 +f 24 22 8 +f 22 6 8 +f 5 7 8 +f 8 6 5 +f 1 3 19 +f 19 17 1 +f 19 23 21 +f 19 21 17 +f 11 12 15 +f 12 16 15 +f 23 19 15 +f 15 19 11 +f 15 8 7 +f 16 8 15 +f 10 2 1 +f 1 9 10 +f 17 21 13 +f 13 9 17 +f 5 6 14 +f 14 13 5 +f 14 22 18 +f 18 10 14 +f 14 10 9 +f 9 13 14 + diff --git a/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__sampler_can_port.mtl b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__sampler_can_port.mtl new file mode 100644 index 0000000000000000000000000000000000000000..685188e737355f9296d2601915cfbbc87225b3bc --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__sampler_can_port.mtl @@ -0,0 +1,6 @@ +newmtl agilent_1290infinity__sampler_can_port +Kd 0.0350 0.0470 0.0590 +Ka 0 0 0 +Ks 0.05 0.05 0.05 +Ns 20 +d 1 diff --git a/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__sampler_can_port.obj b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__sampler_can_port.obj new file mode 100644 index 0000000000000000000000000000000000000000..3a87acdb3be812dafbb7790c2d71420e76b1562e --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__sampler_can_port.obj @@ -0,0 +1,72 @@ +mtllib agilent_1290infinity__sampler_can_port.mtl +usemtl agilent_1290infinity__sampler_can_port +# https://github.com/mikedh/trimesh +v -0.12200000 0.23350000 0.22300000 +v -0.12200000 0.23350000 0.23700000 +v -0.12200000 0.23650000 0.22300000 +v -0.12200000 0.23650000 0.23700000 +v -0.10800000 0.23350000 0.22300000 +v -0.10800000 0.23350000 0.23700000 +v -0.10800000 0.23650000 0.22300000 +v -0.10800000 0.23650000 0.23700000 +v -0.12150000 0.23300000 0.22300000 +v -0.12150000 0.23300000 0.23700000 +v -0.12150000 0.23700000 0.22300000 +v -0.12150000 0.23700000 0.23700000 +v -0.10850000 0.23300000 0.22300000 +v -0.10850000 0.23300000 0.23700000 +v -0.10850000 0.23700000 0.22300000 +v -0.10850000 0.23700000 0.23700000 +v -0.12150000 0.23350000 0.22250000 +v -0.12150000 0.23350000 0.23750000 +v -0.12150000 0.23650000 0.22250000 +v -0.12150000 0.23650000 0.23750000 +v -0.10850000 0.23350000 0.22250000 +v -0.10850000 0.23350000 0.23750000 +v -0.10850000 0.23650000 0.22250000 +v -0.10850000 0.23650000 0.23750000 +f 16 24 8 +f 1 17 9 +f 20 12 4 +f 7 23 15 +f 19 3 11 +f 18 2 10 +f 13 21 5 +f 6 22 14 +f 1 2 3 +f 3 2 4 +f 16 15 12 +f 12 15 11 +f 12 3 4 +f 11 3 12 +f 4 2 20 +f 20 2 18 +f 16 12 20 +f 20 24 16 +f 7 21 23 +f 5 21 7 +f 7 6 5 +f 7 8 6 +f 7 15 16 +f 16 8 7 +f 11 15 19 +f 15 23 19 +f 23 21 19 +f 19 21 17 +f 1 3 19 +f 19 17 1 +f 22 20 18 +f 24 20 22 +f 6 8 22 +f 22 8 24 +f 10 2 1 +f 1 9 10 +f 17 21 13 +f 13 9 17 +f 14 22 18 +f 18 10 14 +f 5 6 14 +f 14 13 5 +f 14 10 9 +f 9 13 14 + diff --git a/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__sampler_door.mtl b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__sampler_door.mtl new file mode 100644 index 0000000000000000000000000000000000000000..63e9996b0a89b79b599105c5a7d33fe7f8ef9191 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__sampler_door.mtl @@ -0,0 +1,6 @@ +newmtl agilent_1290infinity__sampler_door +Kd 0.1400 0.1700 0.2000 +Ka 0 0 0 +Ks 0.05 0.05 0.05 +Ns 20 +d 1 diff --git a/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__sampler_door.obj b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__sampler_door.obj new file mode 100644 index 0000000000000000000000000000000000000000..e3fb94c5e26f556dd0c84bc205d357698c8bdebf --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__sampler_door.obj @@ -0,0 +1,72 @@ +mtllib agilent_1290infinity__sampler_door.mtl +usemtl agilent_1290infinity__sampler_door +# https://github.com/mikedh/trimesh +v -0.12900000 -0.00487500 0.00162500 +v -0.12900000 -0.00487500 0.26037500 +v -0.12900000 0.00487500 0.00162500 +v -0.12900000 0.00487500 0.26037500 +v 0.00000000 -0.00487500 0.00162500 +v 0.00000000 -0.00487500 0.26037500 +v 0.00000000 0.00487500 0.00162500 +v 0.00000000 0.00487500 0.26037500 +v -0.12737500 -0.00650000 0.00162500 +v -0.12737500 -0.00650000 0.26037500 +v -0.12737500 0.00650000 0.00162500 +v -0.12737500 0.00650000 0.26037500 +v -0.00162500 -0.00650000 0.00162500 +v -0.00162500 -0.00650000 0.26037500 +v -0.00162500 0.00650000 0.00162500 +v -0.00162500 0.00650000 0.26037500 +v -0.12737500 -0.00487500 0.00000000 +v -0.12737500 -0.00487500 0.26200000 +v -0.12737500 0.00487500 0.00000000 +v -0.12737500 0.00487500 0.26200000 +v -0.00162500 -0.00487500 0.00000000 +v -0.00162500 -0.00487500 0.26200000 +v -0.00162500 0.00487500 0.00000000 +v -0.00162500 0.00487500 0.26200000 +f 16 24 8 +f 1 17 9 +f 20 12 4 +f 7 23 15 +f 19 3 11 +f 18 2 10 +f 13 21 5 +f 6 22 14 +f 1 2 3 +f 3 2 4 +f 16 15 12 +f 12 15 11 +f 12 3 4 +f 11 3 12 +f 4 2 20 +f 20 2 18 +f 16 12 20 +f 20 24 16 +f 7 21 23 +f 5 21 7 +f 7 6 5 +f 7 8 6 +f 7 15 16 +f 16 8 7 +f 11 15 19 +f 15 23 19 +f 23 21 19 +f 19 21 17 +f 1 3 19 +f 19 17 1 +f 22 20 18 +f 24 20 22 +f 6 8 22 +f 22 8 24 +f 10 2 1 +f 1 9 10 +f 17 21 13 +f 13 9 17 +f 14 22 18 +f 18 10 14 +f 5 6 14 +f 14 13 5 +f 14 10 9 +f 9 13 14 + diff --git a/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__sampler_fascia.mtl b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__sampler_fascia.mtl new file mode 100644 index 0000000000000000000000000000000000000000..fbbe5ff1dddbd25853edffa34e142dfeb503c756 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__sampler_fascia.mtl @@ -0,0 +1,6 @@ +newmtl agilent_1290infinity__sampler_fascia +Kd 0.8700 0.8800 0.8800 +Ka 0 0 0 +Ks 0.05 0.05 0.05 +Ns 20 +d 1 diff --git a/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__sampler_fascia.obj b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__sampler_fascia.obj new file mode 100644 index 0000000000000000000000000000000000000000..720723688ca2ddba5fad6119f77aa028dc4396dc --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__sampler_fascia.obj @@ -0,0 +1,72 @@ +mtllib agilent_1290infinity__sampler_fascia.mtl +usemtl agilent_1290infinity__sampler_fascia +# https://github.com/mikedh/trimesh +v -0.19200000 -0.23125000 0.48025000 +v -0.19200000 -0.23125000 0.51575000 +v -0.19200000 -0.22075000 0.48025000 +v -0.19200000 -0.22075000 0.51575000 +v 0.19200000 -0.23125000 0.48025000 +v 0.19200000 -0.23125000 0.51575000 +v 0.19200000 -0.22075000 0.48025000 +v 0.19200000 -0.22075000 0.51575000 +v -0.19025000 -0.23300000 0.48025000 +v -0.19025000 -0.23300000 0.51575000 +v -0.19025000 -0.21900000 0.48025000 +v -0.19025000 -0.21900000 0.51575000 +v 0.19025000 -0.23300000 0.48025000 +v 0.19025000 -0.23300000 0.51575000 +v 0.19025000 -0.21900000 0.48025000 +v 0.19025000 -0.21900000 0.51575000 +v -0.19025000 -0.23125000 0.47850000 +v -0.19025000 -0.23125000 0.51750000 +v -0.19025000 -0.22075000 0.47850000 +v -0.19025000 -0.22075000 0.51750000 +v 0.19025000 -0.23125000 0.47850000 +v 0.19025000 -0.23125000 0.51750000 +v 0.19025000 -0.22075000 0.47850000 +v 0.19025000 -0.22075000 0.51750000 +f 1 17 9 +f 20 12 4 +f 7 23 15 +f 19 3 11 +f 24 8 16 +f 14 6 22 +f 18 2 10 +f 13 21 5 +f 1 2 3 +f 3 2 4 +f 16 15 12 +f 12 15 11 +f 12 3 4 +f 11 3 12 +f 4 2 20 +f 20 2 18 +f 7 21 23 +f 5 21 7 +f 7 15 16 +f 16 8 7 +f 11 15 19 +f 15 23 19 +f 23 21 19 +f 19 21 17 +f 1 3 19 +f 19 17 1 +f 5 7 6 +f 6 7 8 +f 24 6 8 +f 22 6 24 +f 16 12 24 +f 12 20 24 +f 24 20 18 +f 18 22 24 +f 10 2 1 +f 1 9 10 +f 10 22 18 +f 10 14 22 +f 5 6 13 +f 6 14 13 +f 17 21 13 +f 13 9 17 +f 13 10 9 +f 14 10 13 + diff --git a/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__sampler_left.mtl b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__sampler_left.mtl new file mode 100644 index 0000000000000000000000000000000000000000..647f8420de12c3db136a5ed63c8f15afc810df18 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__sampler_left.mtl @@ -0,0 +1,6 @@ +newmtl agilent_1290infinity__sampler_left +Kd 0.8700 0.8800 0.8800 +Ka 0 0 0 +Ks 0.05 0.05 0.05 +Ns 20 +d 1 diff --git a/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__sampler_left.obj b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__sampler_left.obj new file mode 100644 index 0000000000000000000000000000000000000000..186a8ef0f49e88ed375981b13d25d9f566c9067f --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__sampler_left.obj @@ -0,0 +1,72 @@ +mtllib agilent_1290infinity__sampler_left.mtl +usemtl agilent_1290infinity__sampler_left +# https://github.com/mikedh/trimesh +v -0.19800000 -0.21900000 0.20650000 +v -0.19800000 -0.21900000 0.51750000 +v -0.19800000 0.23100000 0.20650000 +v -0.19800000 0.23100000 0.51750000 +v -0.18600000 -0.21900000 0.20650000 +v -0.18600000 -0.21900000 0.51750000 +v -0.18600000 0.23100000 0.20650000 +v -0.18600000 0.23100000 0.51750000 +v -0.19650000 -0.22050000 0.20650000 +v -0.19650000 -0.22050000 0.51750000 +v -0.19650000 0.23250000 0.20650000 +v -0.19650000 0.23250000 0.51750000 +v -0.18750000 -0.22050000 0.20650000 +v -0.18750000 -0.22050000 0.51750000 +v -0.18750000 0.23250000 0.20650000 +v -0.18750000 0.23250000 0.51750000 +v -0.19650000 -0.21900000 0.20500000 +v -0.19650000 -0.21900000 0.51900000 +v -0.19650000 0.23100000 0.20500000 +v -0.19650000 0.23100000 0.51900000 +v -0.18750000 -0.21900000 0.20500000 +v -0.18750000 -0.21900000 0.51900000 +v -0.18750000 0.23100000 0.20500000 +v -0.18750000 0.23100000 0.51900000 +f 20 12 4 +f 1 17 9 +f 23 15 7 +f 13 21 5 +f 16 24 8 +f 19 3 11 +f 18 2 10 +f 6 22 14 +f 5 7 6 +f 6 7 8 +f 1 2 3 +f 3 2 4 +f 12 3 4 +f 11 3 12 +f 20 2 18 +f 4 2 20 +f 24 6 8 +f 24 22 6 +f 24 20 18 +f 18 22 24 +f 23 7 5 +f 5 21 23 +f 17 21 13 +f 13 9 17 +f 20 24 16 +f 12 20 16 +f 8 7 16 +f 7 15 16 +f 11 12 16 +f 16 15 11 +f 11 15 19 +f 15 23 19 +f 1 3 19 +f 19 17 1 +f 19 23 21 +f 19 21 17 +f 10 2 1 +f 1 9 10 +f 14 22 18 +f 18 10 14 +f 5 6 14 +f 14 13 5 +f 9 13 14 +f 14 10 9 + diff --git a/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__sampler_partition.mtl b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__sampler_partition.mtl new file mode 100644 index 0000000000000000000000000000000000000000..8c6c33772c74518e919a6e396881d2bd73a1ce9f --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__sampler_partition.mtl @@ -0,0 +1,6 @@ +newmtl agilent_1290infinity__sampler_partition +Kd 0.5500 0.5900 0.6200 +Ka 0 0 0 +Ks 0.05 0.05 0.05 +Ns 20 +d 1 diff --git a/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__sampler_partition.obj b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__sampler_partition.obj new file mode 100644 index 0000000000000000000000000000000000000000..06266779eea458eec2df9bf897080321f66ec134 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__sampler_partition.obj @@ -0,0 +1,72 @@ +mtllib agilent_1290infinity__sampler_partition.mtl +usemtl agilent_1290infinity__sampler_partition +# https://github.com/mikedh/trimesh +v 0.05150000 -0.20387500 0.22162500 +v 0.05150000 -0.20387500 0.47037500 +v 0.05150000 0.20387500 0.22162500 +v 0.05150000 0.20387500 0.47037500 +v 0.06050000 -0.20387500 0.22162500 +v 0.06050000 -0.20387500 0.47037500 +v 0.06050000 0.20387500 0.22162500 +v 0.06050000 0.20387500 0.47037500 +v 0.05262500 -0.20500000 0.22162500 +v 0.05262500 -0.20500000 0.47037500 +v 0.05262500 0.20500000 0.22162500 +v 0.05262500 0.20500000 0.47037500 +v 0.05937500 -0.20500000 0.22162500 +v 0.05937500 -0.20500000 0.47037500 +v 0.05937500 0.20500000 0.22162500 +v 0.05937500 0.20500000 0.47037500 +v 0.05262500 -0.20387500 0.22050000 +v 0.05262500 -0.20387500 0.47150000 +v 0.05262500 0.20387500 0.22050000 +v 0.05262500 0.20387500 0.47150000 +v 0.05937500 -0.20387500 0.22050000 +v 0.05937500 -0.20387500 0.47150000 +v 0.05937500 0.20387500 0.22050000 +v 0.05937500 0.20387500 0.47150000 +f 20 12 4 +f 1 17 9 +f 23 15 7 +f 13 21 5 +f 16 24 8 +f 19 3 11 +f 18 2 10 +f 6 22 14 +f 5 7 6 +f 6 7 8 +f 1 2 3 +f 3 2 4 +f 12 3 4 +f 11 3 12 +f 20 2 18 +f 4 2 20 +f 24 6 8 +f 24 22 6 +f 24 20 18 +f 18 22 24 +f 23 7 5 +f 5 21 23 +f 17 21 13 +f 13 9 17 +f 20 24 16 +f 12 20 16 +f 8 7 16 +f 7 15 16 +f 11 12 16 +f 16 15 11 +f 11 15 19 +f 15 23 19 +f 1 3 19 +f 19 17 1 +f 19 23 21 +f 19 21 17 +f 10 2 1 +f 1 9 10 +f 14 22 18 +f 18 10 14 +f 5 6 14 +f 14 13 5 +f 9 13 14 +f 14 10 9 + diff --git a/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__sampler_power_port.mtl b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__sampler_power_port.mtl new file mode 100644 index 0000000000000000000000000000000000000000..8d7deacab198be69f75a88a13fc613bee09acc19 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__sampler_power_port.mtl @@ -0,0 +1,6 @@ +newmtl agilent_1290infinity__sampler_power_port +Kd 0.0350 0.0470 0.0590 +Ka 0 0 0 +Ks 0.05 0.05 0.05 +Ns 20 +d 1 diff --git a/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__sampler_power_port.obj b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__sampler_power_port.obj new file mode 100644 index 0000000000000000000000000000000000000000..40719f81b929da3a54cdc8ed56ad464f8aed07f0 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__sampler_power_port.obj @@ -0,0 +1,72 @@ +mtllib agilent_1290infinity__sampler_power_port.mtl +usemtl agilent_1290infinity__sampler_power_port +# https://github.com/mikedh/trimesh +v 0.10200000 0.23350000 0.21950000 +v 0.10200000 0.23350000 0.24050000 +v 0.10200000 0.23650000 0.21950000 +v 0.10200000 0.23650000 0.24050000 +v 0.13200000 0.23350000 0.21950000 +v 0.13200000 0.23350000 0.24050000 +v 0.13200000 0.23650000 0.21950000 +v 0.13200000 0.23650000 0.24050000 +v 0.10250000 0.23300000 0.21950000 +v 0.10250000 0.23300000 0.24050000 +v 0.10250000 0.23700000 0.21950000 +v 0.10250000 0.23700000 0.24050000 +v 0.13150000 0.23300000 0.21950000 +v 0.13150000 0.23300000 0.24050000 +v 0.13150000 0.23700000 0.21950000 +v 0.13150000 0.23700000 0.24050000 +v 0.10250000 0.23350000 0.21900000 +v 0.10250000 0.23350000 0.24100000 +v 0.10250000 0.23650000 0.21900000 +v 0.10250000 0.23650000 0.24100000 +v 0.13150000 0.23350000 0.21900000 +v 0.13150000 0.23350000 0.24100000 +v 0.13150000 0.23650000 0.21900000 +v 0.13150000 0.23650000 0.24100000 +f 1 17 9 +f 20 12 4 +f 7 23 15 +f 19 3 11 +f 24 8 16 +f 14 6 22 +f 18 2 10 +f 13 21 5 +f 1 2 3 +f 3 2 4 +f 16 15 12 +f 12 15 11 +f 12 3 4 +f 11 3 12 +f 4 2 20 +f 20 2 18 +f 7 21 23 +f 5 21 7 +f 7 15 16 +f 16 8 7 +f 11 15 19 +f 15 23 19 +f 23 21 19 +f 19 21 17 +f 1 3 19 +f 19 17 1 +f 5 7 6 +f 6 7 8 +f 24 6 8 +f 22 6 24 +f 16 12 24 +f 12 20 24 +f 24 20 18 +f 18 22 24 +f 10 2 1 +f 1 9 10 +f 10 22 18 +f 10 14 22 +f 5 6 13 +f 6 14 13 +f 17 21 13 +f 13 9 17 +f 13 10 9 +f 14 10 13 + diff --git a/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__sampler_power_rocker.mtl b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__sampler_power_rocker.mtl new file mode 100644 index 0000000000000000000000000000000000000000..6e8d99fafbb245a9fcec83931ede3734d6820d7b --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__sampler_power_rocker.mtl @@ -0,0 +1,6 @@ +newmtl agilent_1290infinity__sampler_power_rocker +Kd 0.0350 0.0470 0.0590 +Ka 0 0 0 +Ks 0.05 0.05 0.05 +Ns 20 +d 1 diff --git a/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__sampler_power_rocker.obj b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__sampler_power_rocker.obj new file mode 100644 index 0000000000000000000000000000000000000000..1c47f587a90dc2b30075e8a21cab130284728338 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__sampler_power_rocker.obj @@ -0,0 +1,72 @@ +mtllib agilent_1290infinity__sampler_power_rocker.mtl +usemtl agilent_1290infinity__sampler_power_rocker +# https://github.com/mikedh/trimesh +v -0.17750000 -0.23687500 0.21812500 +v -0.17750000 -0.23687500 0.23187500 +v -0.17750000 -0.23312500 0.21812500 +v -0.17750000 -0.23312500 0.23187500 +v -0.16450000 -0.23687500 0.21812500 +v -0.16450000 -0.23687500 0.23187500 +v -0.16450000 -0.23312500 0.21812500 +v -0.16450000 -0.23312500 0.23187500 +v -0.17687500 -0.23750000 0.21812500 +v -0.17687500 -0.23750000 0.23187500 +v -0.17687500 -0.23250000 0.21812500 +v -0.17687500 -0.23250000 0.23187500 +v -0.16512500 -0.23750000 0.21812500 +v -0.16512500 -0.23750000 0.23187500 +v -0.16512500 -0.23250000 0.21812500 +v -0.16512500 -0.23250000 0.23187500 +v -0.17687500 -0.23687500 0.21750000 +v -0.17687500 -0.23687500 0.23250000 +v -0.17687500 -0.23312500 0.21750000 +v -0.17687500 -0.23312500 0.23250000 +v -0.16512500 -0.23687500 0.21750000 +v -0.16512500 -0.23687500 0.23250000 +v -0.16512500 -0.23312500 0.21750000 +v -0.16512500 -0.23312500 0.23250000 +f 16 24 8 +f 1 17 9 +f 20 12 4 +f 7 23 15 +f 19 3 11 +f 18 2 10 +f 13 21 5 +f 6 22 14 +f 1 2 3 +f 3 2 4 +f 16 15 12 +f 12 15 11 +f 12 3 4 +f 11 3 12 +f 4 2 20 +f 20 2 18 +f 16 12 20 +f 20 24 16 +f 7 21 23 +f 5 21 7 +f 7 6 5 +f 7 8 6 +f 7 15 16 +f 16 8 7 +f 11 15 19 +f 15 23 19 +f 23 21 19 +f 19 21 17 +f 1 3 19 +f 19 17 1 +f 22 20 18 +f 24 20 22 +f 6 8 22 +f 22 8 24 +f 10 2 1 +f 1 9 10 +f 17 21 13 +f 13 9 17 +f 14 22 18 +f 18 10 14 +f 5 6 14 +f 14 13 5 +f 14 10 9 +f 9 13 14 + diff --git a/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__sampler_rear.mtl b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__sampler_rear.mtl new file mode 100644 index 0000000000000000000000000000000000000000..a3c48ef1ef35f612671b2f87f5311898a9651f29 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__sampler_rear.mtl @@ -0,0 +1,6 @@ +newmtl agilent_1290infinity__sampler_rear +Kd 0.5500 0.5900 0.6200 +Ka 0 0 0 +Ks 0.05 0.05 0.05 +Ns 20 +d 1 diff --git a/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__sampler_rear.obj b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__sampler_rear.obj new file mode 100644 index 0000000000000000000000000000000000000000..dd57f81b79d1e907b7e2ce21e375fe054c831233 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__sampler_rear.obj @@ -0,0 +1,72 @@ +mtllib agilent_1290infinity__sampler_rear.mtl +usemtl agilent_1290infinity__sampler_rear +# https://github.com/mikedh/trimesh +v -0.19200000 0.22612500 0.20762500 +v -0.19200000 0.22612500 0.51637500 +v -0.19200000 0.23287500 0.20762500 +v -0.19200000 0.23287500 0.51637500 +v 0.19200000 0.22612500 0.20762500 +v 0.19200000 0.22612500 0.51637500 +v 0.19200000 0.23287500 0.20762500 +v 0.19200000 0.23287500 0.51637500 +v -0.19087500 0.22500000 0.20762500 +v -0.19087500 0.22500000 0.51637500 +v -0.19087500 0.23400000 0.20762500 +v -0.19087500 0.23400000 0.51637500 +v 0.19087500 0.22500000 0.20762500 +v 0.19087500 0.22500000 0.51637500 +v 0.19087500 0.23400000 0.20762500 +v 0.19087500 0.23400000 0.51637500 +v -0.19087500 0.22612500 0.20650000 +v -0.19087500 0.22612500 0.51750000 +v -0.19087500 0.23287500 0.20650000 +v -0.19087500 0.23287500 0.51750000 +v 0.19087500 0.22612500 0.20650000 +v 0.19087500 0.22612500 0.51750000 +v 0.19087500 0.23287500 0.20650000 +v 0.19087500 0.23287500 0.51750000 +f 1 17 9 +f 20 12 4 +f 7 23 15 +f 19 3 11 +f 24 8 16 +f 14 6 22 +f 18 2 10 +f 13 21 5 +f 1 2 3 +f 3 2 4 +f 16 15 12 +f 12 15 11 +f 12 3 4 +f 11 3 12 +f 4 2 20 +f 20 2 18 +f 7 21 23 +f 5 21 7 +f 7 15 16 +f 16 8 7 +f 11 15 19 +f 15 23 19 +f 23 21 19 +f 19 21 17 +f 1 3 19 +f 19 17 1 +f 5 7 6 +f 6 7 8 +f 24 6 8 +f 22 6 24 +f 16 12 24 +f 12 20 24 +f 24 20 18 +f 18 22 24 +f 10 2 1 +f 1 9 10 +f 10 22 18 +f 10 14 22 +f 5 6 13 +f 6 14 13 +f 17 21 13 +f 13 9 17 +f 13 10 9 +f 14 10 13 + diff --git a/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__sampler_right.mtl b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__sampler_right.mtl new file mode 100644 index 0000000000000000000000000000000000000000..0ed71c11f940a071469f7c3dab4dc905e4614a2a --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__sampler_right.mtl @@ -0,0 +1,6 @@ +newmtl agilent_1290infinity__sampler_right +Kd 0.8700 0.8800 0.8800 +Ka 0 0 0 +Ks 0.05 0.05 0.05 +Ns 20 +d 1 diff --git a/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__sampler_right.obj b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__sampler_right.obj new file mode 100644 index 0000000000000000000000000000000000000000..ad2fbe45e9a2c8d2c4f64f582d756c69fe384f87 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__sampler_right.obj @@ -0,0 +1,72 @@ +mtllib agilent_1290infinity__sampler_right.mtl +usemtl agilent_1290infinity__sampler_right +# https://github.com/mikedh/trimesh +v 0.18600000 -0.21900000 0.20650000 +v 0.18600000 -0.21900000 0.51750000 +v 0.18600000 0.23100000 0.20650000 +v 0.18600000 0.23100000 0.51750000 +v 0.19800000 -0.21900000 0.20650000 +v 0.19800000 -0.21900000 0.51750000 +v 0.19800000 0.23100000 0.20650000 +v 0.19800000 0.23100000 0.51750000 +v 0.18750000 -0.22050000 0.20650000 +v 0.18750000 -0.22050000 0.51750000 +v 0.18750000 0.23250000 0.20650000 +v 0.18750000 0.23250000 0.51750000 +v 0.19650000 -0.22050000 0.20650000 +v 0.19650000 -0.22050000 0.51750000 +v 0.19650000 0.23250000 0.20650000 +v 0.19650000 0.23250000 0.51750000 +v 0.18750000 -0.21900000 0.20500000 +v 0.18750000 -0.21900000 0.51900000 +v 0.18750000 0.23100000 0.20500000 +v 0.18750000 0.23100000 0.51900000 +v 0.19650000 -0.21900000 0.20500000 +v 0.19650000 -0.21900000 0.51900000 +v 0.19650000 0.23100000 0.20500000 +v 0.19650000 0.23100000 0.51900000 +f 20 12 4 +f 1 17 9 +f 23 15 7 +f 13 21 5 +f 16 24 8 +f 19 3 11 +f 18 2 10 +f 6 22 14 +f 5 7 6 +f 6 7 8 +f 1 2 3 +f 3 2 4 +f 12 3 4 +f 11 3 12 +f 20 2 18 +f 4 2 20 +f 24 6 8 +f 24 22 6 +f 24 20 18 +f 18 22 24 +f 23 7 5 +f 5 21 23 +f 17 21 13 +f 13 9 17 +f 20 24 16 +f 12 20 16 +f 8 7 16 +f 7 15 16 +f 11 12 16 +f 16 15 11 +f 11 15 19 +f 15 23 19 +f 1 3 19 +f 19 17 1 +f 19 23 21 +f 19 21 17 +f 10 2 1 +f 1 9 10 +f 14 22 18 +f 18 10 14 +f 5 6 14 +f 14 13 5 +f 9 13 14 +f 14 10 9 + diff --git a/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__sampler_top.mtl b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__sampler_top.mtl new file mode 100644 index 0000000000000000000000000000000000000000..e37322ef6dd081d6590be4086654e7a5f3ff32ca --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__sampler_top.mtl @@ -0,0 +1,6 @@ +newmtl agilent_1290infinity__sampler_top +Kd 0.8700 0.8800 0.8800 +Ka 0 0 0 +Ks 0.05 0.05 0.05 +Ns 20 +d 1 diff --git a/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__sampler_top.obj b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__sampler_top.obj new file mode 100644 index 0000000000000000000000000000000000000000..91cf9ad914576ef72be86655336ef6488306717d --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__sampler_top.obj @@ -0,0 +1,72 @@ +mtllib agilent_1290infinity__sampler_top.mtl +usemtl agilent_1290infinity__sampler_top +# https://github.com/mikedh/trimesh +v -0.19050000 -0.22375000 0.51525000 +v -0.19050000 -0.22375000 0.52275000 +v -0.19050000 0.22975000 0.51525000 +v -0.19050000 0.22975000 0.52275000 +v 0.19050000 -0.22375000 0.51525000 +v 0.19050000 -0.22375000 0.52275000 +v 0.19050000 0.22975000 0.51525000 +v 0.19050000 0.22975000 0.52275000 +v -0.18925000 -0.22500000 0.51525000 +v -0.18925000 -0.22500000 0.52275000 +v -0.18925000 0.23100000 0.51525000 +v -0.18925000 0.23100000 0.52275000 +v 0.18925000 -0.22500000 0.51525000 +v 0.18925000 -0.22500000 0.52275000 +v 0.18925000 0.23100000 0.51525000 +v 0.18925000 0.23100000 0.52275000 +v -0.18925000 -0.22375000 0.51400000 +v -0.18925000 -0.22375000 0.52400000 +v -0.18925000 0.22975000 0.51400000 +v -0.18925000 0.22975000 0.52400000 +v 0.18925000 -0.22375000 0.51400000 +v 0.18925000 -0.22375000 0.52400000 +v 0.18925000 0.22975000 0.51400000 +v 0.18925000 0.22975000 0.52400000 +f 20 12 4 +f 1 17 9 +f 8 16 24 +f 19 3 11 +f 7 23 15 +f 18 2 10 +f 13 21 5 +f 14 6 22 +f 1 2 3 +f 3 2 4 +f 12 3 4 +f 11 3 12 +f 18 22 20 +f 20 22 24 +f 20 2 18 +f 4 2 20 +f 16 20 24 +f 12 20 16 +f 5 21 23 +f 23 7 5 +f 24 22 8 +f 22 6 8 +f 5 7 8 +f 8 6 5 +f 1 3 19 +f 19 17 1 +f 19 23 21 +f 19 21 17 +f 11 12 15 +f 12 16 15 +f 23 19 15 +f 15 19 11 +f 15 8 7 +f 16 8 15 +f 10 2 1 +f 1 9 10 +f 17 21 13 +f 13 9 17 +f 5 6 14 +f 14 13 5 +f 14 22 18 +f 18 10 14 +f 14 10 9 +f 9 13 14 + diff --git a/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__sampler_vent_0.mtl b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__sampler_vent_0.mtl new file mode 100644 index 0000000000000000000000000000000000000000..10fd26a00581d9d79d0f99d766ccb781c066b879 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__sampler_vent_0.mtl @@ -0,0 +1,6 @@ +newmtl agilent_1290infinity__sampler_vent_0 +Kd 0.1400 0.1700 0.2000 +Ka 0 0 0 +Ks 0.05 0.05 0.05 +Ns 20 +d 1 diff --git a/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__sampler_vent_0.obj b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__sampler_vent_0.obj new file mode 100644 index 0000000000000000000000000000000000000000..7ce06ad426fe0afd3d2f6d80430311e7c4223a66 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__sampler_vent_0.obj @@ -0,0 +1,72 @@ +mtllib agilent_1290infinity__sampler_vent_0.mtl +usemtl agilent_1290infinity__sampler_vent_0 +# https://github.com/mikedh/trimesh +v 0.19750000 0.04625000 0.24575000 +v 0.19750000 0.04625000 0.24825000 +v 0.19750000 0.06375000 0.24575000 +v 0.19750000 0.06375000 0.24825000 +v 0.19950000 0.04625000 0.24575000 +v 0.19950000 0.04625000 0.24825000 +v 0.19950000 0.06375000 0.24575000 +v 0.19950000 0.06375000 0.24825000 +v 0.19775000 0.04600000 0.24575000 +v 0.19775000 0.04600000 0.24825000 +v 0.19775000 0.06400000 0.24575000 +v 0.19775000 0.06400000 0.24825000 +v 0.19925000 0.04600000 0.24575000 +v 0.19925000 0.04600000 0.24825000 +v 0.19925000 0.06400000 0.24575000 +v 0.19925000 0.06400000 0.24825000 +v 0.19775000 0.04625000 0.24550000 +v 0.19775000 0.04625000 0.24850000 +v 0.19775000 0.06375000 0.24550000 +v 0.19775000 0.06375000 0.24850000 +v 0.19925000 0.04625000 0.24550000 +v 0.19925000 0.04625000 0.24850000 +v 0.19925000 0.06375000 0.24550000 +v 0.19925000 0.06375000 0.24850000 +f 20 12 4 +f 1 17 9 +f 23 15 7 +f 13 21 5 +f 16 24 8 +f 19 3 11 +f 18 2 10 +f 6 22 14 +f 5 7 6 +f 6 7 8 +f 1 2 3 +f 3 2 4 +f 12 3 4 +f 11 3 12 +f 20 2 18 +f 4 2 20 +f 24 6 8 +f 24 22 6 +f 24 20 18 +f 18 22 24 +f 23 7 5 +f 5 21 23 +f 17 21 13 +f 13 9 17 +f 20 24 16 +f 12 20 16 +f 8 7 16 +f 7 15 16 +f 11 12 16 +f 16 15 11 +f 11 15 19 +f 15 23 19 +f 1 3 19 +f 19 17 1 +f 19 23 21 +f 19 21 17 +f 10 2 1 +f 1 9 10 +f 14 22 18 +f 18 10 14 +f 5 6 14 +f 14 13 5 +f 9 13 14 +f 14 10 9 + diff --git a/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__sampler_vent_1.mtl b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__sampler_vent_1.mtl new file mode 100644 index 0000000000000000000000000000000000000000..55ef4ccb8f33bb94e2ca1caaf6f81ce41d8cf5b3 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__sampler_vent_1.mtl @@ -0,0 +1,6 @@ +newmtl agilent_1290infinity__sampler_vent_1 +Kd 0.1400 0.1700 0.2000 +Ka 0 0 0 +Ks 0.05 0.05 0.05 +Ns 20 +d 1 diff --git a/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__sampler_vent_1.obj b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__sampler_vent_1.obj new file mode 100644 index 0000000000000000000000000000000000000000..dfcd4a6e1d5d87658859b802a57d133a2e4856da --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__sampler_vent_1.obj @@ -0,0 +1,72 @@ +mtllib agilent_1290infinity__sampler_vent_1.mtl +usemtl agilent_1290infinity__sampler_vent_1 +# https://github.com/mikedh/trimesh +v 0.19750000 0.06125000 0.24575000 +v 0.19750000 0.06125000 0.24825000 +v 0.19750000 0.07875000 0.24575000 +v 0.19750000 0.07875000 0.24825000 +v 0.19950000 0.06125000 0.24575000 +v 0.19950000 0.06125000 0.24825000 +v 0.19950000 0.07875000 0.24575000 +v 0.19950000 0.07875000 0.24825000 +v 0.19775000 0.06100000 0.24575000 +v 0.19775000 0.06100000 0.24825000 +v 0.19775000 0.07900000 0.24575000 +v 0.19775000 0.07900000 0.24825000 +v 0.19925000 0.06100000 0.24575000 +v 0.19925000 0.06100000 0.24825000 +v 0.19925000 0.07900000 0.24575000 +v 0.19925000 0.07900000 0.24825000 +v 0.19775000 0.06125000 0.24550000 +v 0.19775000 0.06125000 0.24850000 +v 0.19775000 0.07875000 0.24550000 +v 0.19775000 0.07875000 0.24850000 +v 0.19925000 0.06125000 0.24550000 +v 0.19925000 0.06125000 0.24850000 +v 0.19925000 0.07875000 0.24550000 +v 0.19925000 0.07875000 0.24850000 +f 20 12 4 +f 1 17 9 +f 23 15 7 +f 13 21 5 +f 16 24 8 +f 19 3 11 +f 18 2 10 +f 6 22 14 +f 5 7 6 +f 6 7 8 +f 1 2 3 +f 3 2 4 +f 12 3 4 +f 11 3 12 +f 20 2 18 +f 4 2 20 +f 24 6 8 +f 24 22 6 +f 24 20 18 +f 18 22 24 +f 23 7 5 +f 5 21 23 +f 17 21 13 +f 13 9 17 +f 20 24 16 +f 12 20 16 +f 8 7 16 +f 7 15 16 +f 11 12 16 +f 16 15 11 +f 11 15 19 +f 15 23 19 +f 1 3 19 +f 19 17 1 +f 19 23 21 +f 19 21 17 +f 10 2 1 +f 1 9 10 +f 14 22 18 +f 18 10 14 +f 5 6 14 +f 14 13 5 +f 9 13 14 +f 14 10 9 + diff --git a/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__sampler_vent_2.mtl b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__sampler_vent_2.mtl new file mode 100644 index 0000000000000000000000000000000000000000..92a463b5468ac60c6000bebfc422d49c8f77c3fb --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__sampler_vent_2.mtl @@ -0,0 +1,6 @@ +newmtl agilent_1290infinity__sampler_vent_2 +Kd 0.1400 0.1700 0.2000 +Ka 0 0 0 +Ks 0.05 0.05 0.05 +Ns 20 +d 1 diff --git a/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__sampler_vent_2.obj b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__sampler_vent_2.obj new file mode 100644 index 0000000000000000000000000000000000000000..ec5aa60125e69b659e1f886690969988dd00c45f --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__sampler_vent_2.obj @@ -0,0 +1,72 @@ +mtllib agilent_1290infinity__sampler_vent_2.mtl +usemtl agilent_1290infinity__sampler_vent_2 +# https://github.com/mikedh/trimesh +v 0.19750000 0.07625000 0.24575000 +v 0.19750000 0.07625000 0.24825000 +v 0.19750000 0.09375000 0.24575000 +v 0.19750000 0.09375000 0.24825000 +v 0.19950000 0.07625000 0.24575000 +v 0.19950000 0.07625000 0.24825000 +v 0.19950000 0.09375000 0.24575000 +v 0.19950000 0.09375000 0.24825000 +v 0.19775000 0.07600000 0.24575000 +v 0.19775000 0.07600000 0.24825000 +v 0.19775000 0.09400000 0.24575000 +v 0.19775000 0.09400000 0.24825000 +v 0.19925000 0.07600000 0.24575000 +v 0.19925000 0.07600000 0.24825000 +v 0.19925000 0.09400000 0.24575000 +v 0.19925000 0.09400000 0.24825000 +v 0.19775000 0.07625000 0.24550000 +v 0.19775000 0.07625000 0.24850000 +v 0.19775000 0.09375000 0.24550000 +v 0.19775000 0.09375000 0.24850000 +v 0.19925000 0.07625000 0.24550000 +v 0.19925000 0.07625000 0.24850000 +v 0.19925000 0.09375000 0.24550000 +v 0.19925000 0.09375000 0.24850000 +f 20 12 4 +f 1 17 9 +f 23 15 7 +f 13 21 5 +f 16 24 8 +f 19 3 11 +f 18 2 10 +f 6 22 14 +f 5 7 6 +f 6 7 8 +f 1 2 3 +f 3 2 4 +f 12 3 4 +f 11 3 12 +f 20 2 18 +f 4 2 20 +f 24 6 8 +f 24 22 6 +f 24 20 18 +f 18 22 24 +f 23 7 5 +f 5 21 23 +f 17 21 13 +f 13 9 17 +f 20 24 16 +f 12 20 16 +f 8 7 16 +f 7 15 16 +f 11 12 16 +f 16 15 11 +f 11 15 19 +f 15 23 19 +f 1 3 19 +f 19 17 1 +f 19 23 21 +f 19 21 17 +f 10 2 1 +f 1 9 10 +f 14 22 18 +f 18 10 14 +f 5 6 14 +f 14 13 5 +f 9 13 14 +f 14 10 9 + diff --git a/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__sampler_vent_3.mtl b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__sampler_vent_3.mtl new file mode 100644 index 0000000000000000000000000000000000000000..42613c83224ea3db9b31855ff51941d7026594b8 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__sampler_vent_3.mtl @@ -0,0 +1,6 @@ +newmtl agilent_1290infinity__sampler_vent_3 +Kd 0.1400 0.1700 0.2000 +Ka 0 0 0 +Ks 0.05 0.05 0.05 +Ns 20 +d 1 diff --git a/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__sampler_vent_3.obj b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__sampler_vent_3.obj new file mode 100644 index 0000000000000000000000000000000000000000..21a8ff26af6e4ddb5c73c0c4bf598294ec04c7d9 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__sampler_vent_3.obj @@ -0,0 +1,72 @@ +mtllib agilent_1290infinity__sampler_vent_3.mtl +usemtl agilent_1290infinity__sampler_vent_3 +# https://github.com/mikedh/trimesh +v 0.19750000 0.09125000 0.24575000 +v 0.19750000 0.09125000 0.24825000 +v 0.19750000 0.10875000 0.24575000 +v 0.19750000 0.10875000 0.24825000 +v 0.19950000 0.09125000 0.24575000 +v 0.19950000 0.09125000 0.24825000 +v 0.19950000 0.10875000 0.24575000 +v 0.19950000 0.10875000 0.24825000 +v 0.19775000 0.09100000 0.24575000 +v 0.19775000 0.09100000 0.24825000 +v 0.19775000 0.10900000 0.24575000 +v 0.19775000 0.10900000 0.24825000 +v 0.19925000 0.09100000 0.24575000 +v 0.19925000 0.09100000 0.24825000 +v 0.19925000 0.10900000 0.24575000 +v 0.19925000 0.10900000 0.24825000 +v 0.19775000 0.09125000 0.24550000 +v 0.19775000 0.09125000 0.24850000 +v 0.19775000 0.10875000 0.24550000 +v 0.19775000 0.10875000 0.24850000 +v 0.19925000 0.09125000 0.24550000 +v 0.19925000 0.09125000 0.24850000 +v 0.19925000 0.10875000 0.24550000 +v 0.19925000 0.10875000 0.24850000 +f 20 12 4 +f 1 17 9 +f 23 15 7 +f 13 21 5 +f 16 24 8 +f 19 3 11 +f 18 2 10 +f 6 22 14 +f 5 7 6 +f 6 7 8 +f 1 2 3 +f 3 2 4 +f 12 3 4 +f 11 3 12 +f 20 2 18 +f 4 2 20 +f 24 6 8 +f 24 22 6 +f 24 20 18 +f 18 22 24 +f 23 7 5 +f 5 21 23 +f 17 21 13 +f 13 9 17 +f 20 24 16 +f 12 20 16 +f 8 7 16 +f 7 15 16 +f 11 12 16 +f 16 15 11 +f 11 15 19 +f 15 23 19 +f 1 3 19 +f 19 17 1 +f 19 23 21 +f 19 21 17 +f 10 2 1 +f 1 9 10 +f 14 22 18 +f 18 10 14 +f 5 6 14 +f 14 13 5 +f 9 13 14 +f 14 10 9 + diff --git a/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__sampler_vent_4.mtl b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__sampler_vent_4.mtl new file mode 100644 index 0000000000000000000000000000000000000000..60e04dad46064c3ed59cbe0a7eab0ea1d5bb2fae --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__sampler_vent_4.mtl @@ -0,0 +1,6 @@ +newmtl agilent_1290infinity__sampler_vent_4 +Kd 0.1400 0.1700 0.2000 +Ka 0 0 0 +Ks 0.05 0.05 0.05 +Ns 20 +d 1 diff --git a/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__sampler_vent_4.obj b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__sampler_vent_4.obj new file mode 100644 index 0000000000000000000000000000000000000000..aca48f3ff77b856d4a6f2a802bd844602e68e33e --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__sampler_vent_4.obj @@ -0,0 +1,72 @@ +mtllib agilent_1290infinity__sampler_vent_4.mtl +usemtl agilent_1290infinity__sampler_vent_4 +# https://github.com/mikedh/trimesh +v 0.19750000 0.10625000 0.24575000 +v 0.19750000 0.10625000 0.24825000 +v 0.19750000 0.12375000 0.24575000 +v 0.19750000 0.12375000 0.24825000 +v 0.19950000 0.10625000 0.24575000 +v 0.19950000 0.10625000 0.24825000 +v 0.19950000 0.12375000 0.24575000 +v 0.19950000 0.12375000 0.24825000 +v 0.19775000 0.10600000 0.24575000 +v 0.19775000 0.10600000 0.24825000 +v 0.19775000 0.12400000 0.24575000 +v 0.19775000 0.12400000 0.24825000 +v 0.19925000 0.10600000 0.24575000 +v 0.19925000 0.10600000 0.24825000 +v 0.19925000 0.12400000 0.24575000 +v 0.19925000 0.12400000 0.24825000 +v 0.19775000 0.10625000 0.24550000 +v 0.19775000 0.10625000 0.24850000 +v 0.19775000 0.12375000 0.24550000 +v 0.19775000 0.12375000 0.24850000 +v 0.19925000 0.10625000 0.24550000 +v 0.19925000 0.10625000 0.24850000 +v 0.19925000 0.12375000 0.24550000 +v 0.19925000 0.12375000 0.24850000 +f 20 12 4 +f 1 17 9 +f 23 15 7 +f 13 21 5 +f 16 24 8 +f 19 3 11 +f 18 2 10 +f 6 22 14 +f 5 7 6 +f 6 7 8 +f 1 2 3 +f 3 2 4 +f 12 3 4 +f 11 3 12 +f 20 2 18 +f 4 2 20 +f 24 6 8 +f 24 22 6 +f 24 20 18 +f 18 22 24 +f 23 7 5 +f 5 21 23 +f 17 21 13 +f 13 9 17 +f 20 24 16 +f 12 20 16 +f 8 7 16 +f 7 15 16 +f 11 12 16 +f 16 15 11 +f 11 15 19 +f 15 23 19 +f 1 3 19 +f 19 17 1 +f 19 23 21 +f 19 21 17 +f 10 2 1 +f 1 9 10 +f 14 22 18 +f 18 10 14 +f 5 6 14 +f 14 13 5 +f 9 13 14 +f 14 10 9 + diff --git a/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__sampler_vent_5.mtl b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__sampler_vent_5.mtl new file mode 100644 index 0000000000000000000000000000000000000000..e9baa30ef6ff4e095374f5ddb9176a4f8848613b --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__sampler_vent_5.mtl @@ -0,0 +1,6 @@ +newmtl agilent_1290infinity__sampler_vent_5 +Kd 0.1400 0.1700 0.2000 +Ka 0 0 0 +Ks 0.05 0.05 0.05 +Ns 20 +d 1 diff --git a/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__sampler_vent_5.obj b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__sampler_vent_5.obj new file mode 100644 index 0000000000000000000000000000000000000000..c22b18beb621b2ccee370ca47408d464fd1144bd --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__sampler_vent_5.obj @@ -0,0 +1,72 @@ +mtllib agilent_1290infinity__sampler_vent_5.mtl +usemtl agilent_1290infinity__sampler_vent_5 +# https://github.com/mikedh/trimesh +v 0.19750000 0.12125000 0.24575000 +v 0.19750000 0.12125000 0.24825000 +v 0.19750000 0.13875000 0.24575000 +v 0.19750000 0.13875000 0.24825000 +v 0.19950000 0.12125000 0.24575000 +v 0.19950000 0.12125000 0.24825000 +v 0.19950000 0.13875000 0.24575000 +v 0.19950000 0.13875000 0.24825000 +v 0.19775000 0.12100000 0.24575000 +v 0.19775000 0.12100000 0.24825000 +v 0.19775000 0.13900000 0.24575000 +v 0.19775000 0.13900000 0.24825000 +v 0.19925000 0.12100000 0.24575000 +v 0.19925000 0.12100000 0.24825000 +v 0.19925000 0.13900000 0.24575000 +v 0.19925000 0.13900000 0.24825000 +v 0.19775000 0.12125000 0.24550000 +v 0.19775000 0.12125000 0.24850000 +v 0.19775000 0.13875000 0.24550000 +v 0.19775000 0.13875000 0.24850000 +v 0.19925000 0.12125000 0.24550000 +v 0.19925000 0.12125000 0.24850000 +v 0.19925000 0.13875000 0.24550000 +v 0.19925000 0.13875000 0.24850000 +f 20 12 4 +f 1 17 9 +f 23 15 7 +f 13 21 5 +f 16 24 8 +f 19 3 11 +f 18 2 10 +f 6 22 14 +f 5 7 6 +f 6 7 8 +f 1 2 3 +f 3 2 4 +f 12 3 4 +f 11 3 12 +f 20 2 18 +f 4 2 20 +f 24 6 8 +f 24 22 6 +f 24 20 18 +f 18 22 24 +f 23 7 5 +f 5 21 23 +f 17 21 13 +f 13 9 17 +f 20 24 16 +f 12 20 16 +f 8 7 16 +f 7 15 16 +f 11 12 16 +f 16 15 11 +f 11 15 19 +f 15 23 19 +f 1 3 19 +f 19 17 1 +f 19 23 21 +f 19 21 17 +f 10 2 1 +f 1 9 10 +f 14 22 18 +f 18 10 14 +f 5 6 14 +f 14 13 5 +f 9 13 14 +f 14 10 9 + diff --git a/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__sampler_vent_6.mtl b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__sampler_vent_6.mtl new file mode 100644 index 0000000000000000000000000000000000000000..e88b6c364140ace9c218bfdd156ba0929792e62b --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__sampler_vent_6.mtl @@ -0,0 +1,6 @@ +newmtl agilent_1290infinity__sampler_vent_6 +Kd 0.1400 0.1700 0.2000 +Ka 0 0 0 +Ks 0.05 0.05 0.05 +Ns 20 +d 1 diff --git a/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__sampler_vent_6.obj b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__sampler_vent_6.obj new file mode 100644 index 0000000000000000000000000000000000000000..b61de7d1ece84a67f3052495132a5225f8849e78 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__sampler_vent_6.obj @@ -0,0 +1,72 @@ +mtllib agilent_1290infinity__sampler_vent_6.mtl +usemtl agilent_1290infinity__sampler_vent_6 +# https://github.com/mikedh/trimesh +v 0.19750000 0.13625000 0.24575000 +v 0.19750000 0.13625000 0.24825000 +v 0.19750000 0.15375000 0.24575000 +v 0.19750000 0.15375000 0.24825000 +v 0.19950000 0.13625000 0.24575000 +v 0.19950000 0.13625000 0.24825000 +v 0.19950000 0.15375000 0.24575000 +v 0.19950000 0.15375000 0.24825000 +v 0.19775000 0.13600000 0.24575000 +v 0.19775000 0.13600000 0.24825000 +v 0.19775000 0.15400000 0.24575000 +v 0.19775000 0.15400000 0.24825000 +v 0.19925000 0.13600000 0.24575000 +v 0.19925000 0.13600000 0.24825000 +v 0.19925000 0.15400000 0.24575000 +v 0.19925000 0.15400000 0.24825000 +v 0.19775000 0.13625000 0.24550000 +v 0.19775000 0.13625000 0.24850000 +v 0.19775000 0.15375000 0.24550000 +v 0.19775000 0.15375000 0.24850000 +v 0.19925000 0.13625000 0.24550000 +v 0.19925000 0.13625000 0.24850000 +v 0.19925000 0.15375000 0.24550000 +v 0.19925000 0.15375000 0.24850000 +f 20 12 4 +f 1 17 9 +f 23 15 7 +f 13 21 5 +f 16 24 8 +f 19 3 11 +f 18 2 10 +f 6 22 14 +f 5 7 6 +f 6 7 8 +f 1 2 3 +f 3 2 4 +f 12 3 4 +f 11 3 12 +f 20 2 18 +f 4 2 20 +f 24 6 8 +f 24 22 6 +f 24 20 18 +f 18 22 24 +f 23 7 5 +f 5 21 23 +f 17 21 13 +f 13 9 17 +f 20 24 16 +f 12 20 16 +f 8 7 16 +f 7 15 16 +f 11 12 16 +f 16 15 11 +f 11 15 19 +f 15 23 19 +f 1 3 19 +f 19 17 1 +f 19 23 21 +f 19 21 17 +f 10 2 1 +f 1 9 10 +f 14 22 18 +f 18 10 14 +f 5 6 14 +f 14 13 5 +f 9 13 14 +f 14 10 9 + diff --git a/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__sampler_vent_7.mtl b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__sampler_vent_7.mtl new file mode 100644 index 0000000000000000000000000000000000000000..31f64b073a28aa4a4e2c46c3e06d358e7f949de2 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__sampler_vent_7.mtl @@ -0,0 +1,6 @@ +newmtl agilent_1290infinity__sampler_vent_7 +Kd 0.1400 0.1700 0.2000 +Ka 0 0 0 +Ks 0.05 0.05 0.05 +Ns 20 +d 1 diff --git a/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__sampler_vent_7.obj b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__sampler_vent_7.obj new file mode 100644 index 0000000000000000000000000000000000000000..11268a4a9f80ad26edd14886e04026dc10c4ac0e --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__sampler_vent_7.obj @@ -0,0 +1,72 @@ +mtllib agilent_1290infinity__sampler_vent_7.mtl +usemtl agilent_1290infinity__sampler_vent_7 +# https://github.com/mikedh/trimesh +v 0.19750000 0.15125000 0.24575000 +v 0.19750000 0.15125000 0.24825000 +v 0.19750000 0.16875000 0.24575000 +v 0.19750000 0.16875000 0.24825000 +v 0.19950000 0.15125000 0.24575000 +v 0.19950000 0.15125000 0.24825000 +v 0.19950000 0.16875000 0.24575000 +v 0.19950000 0.16875000 0.24825000 +v 0.19775000 0.15100000 0.24575000 +v 0.19775000 0.15100000 0.24825000 +v 0.19775000 0.16900000 0.24575000 +v 0.19775000 0.16900000 0.24825000 +v 0.19925000 0.15100000 0.24575000 +v 0.19925000 0.15100000 0.24825000 +v 0.19925000 0.16900000 0.24575000 +v 0.19925000 0.16900000 0.24825000 +v 0.19775000 0.15125000 0.24550000 +v 0.19775000 0.15125000 0.24850000 +v 0.19775000 0.16875000 0.24550000 +v 0.19775000 0.16875000 0.24850000 +v 0.19925000 0.15125000 0.24550000 +v 0.19925000 0.15125000 0.24850000 +v 0.19925000 0.16875000 0.24550000 +v 0.19925000 0.16875000 0.24850000 +f 20 12 4 +f 1 17 9 +f 23 15 7 +f 13 21 5 +f 16 24 8 +f 19 3 11 +f 18 2 10 +f 6 22 14 +f 5 7 6 +f 6 7 8 +f 1 2 3 +f 3 2 4 +f 12 3 4 +f 11 3 12 +f 20 2 18 +f 4 2 20 +f 24 6 8 +f 24 22 6 +f 24 20 18 +f 18 22 24 +f 23 7 5 +f 5 21 23 +f 17 21 13 +f 13 9 17 +f 20 24 16 +f 12 20 16 +f 8 7 16 +f 7 15 16 +f 11 12 16 +f 16 15 11 +f 11 15 19 +f 15 23 19 +f 1 3 19 +f 19 17 1 +f 19 23 21 +f 19 21 17 +f 10 2 1 +f 1 9 10 +f 14 22 18 +f 18 10 14 +f 5 6 14 +f 14 13 5 +f 9 13 14 +f 14 10 9 + diff --git a/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__solvent_port_1.mtl b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__solvent_port_1.mtl new file mode 100644 index 0000000000000000000000000000000000000000..39321c6596342458d4820772613edb877c292758 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__solvent_port_1.mtl @@ -0,0 +1,6 @@ +newmtl agilent_1290infinity__solvent_port_1 +Kd 0.0350 0.0470 0.0590 +Ka 0 0 0 +Ks 0.05 0.05 0.05 +Ns 20 +d 1 diff --git a/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__solvent_port_1.obj b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__solvent_port_1.obj new file mode 100644 index 0000000000000000000000000000000000000000..74743c301af9dadee1b268eea481c4a859414a1a --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__solvent_port_1.obj @@ -0,0 +1,294 @@ +mtllib agilent_1290infinity__solvent_port_1.mtl +usemtl agilent_1290infinity__solvent_port_1 +# https://github.com/mikedh/trimesh +v -0.08000000 -0.18400000 0.88200000 +v -0.07550000 -0.18400000 0.88200000 +v -0.07550000 -0.18400000 0.89400000 +v -0.08000000 -0.18400000 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new file mode 100644 index 0000000000000000000000000000000000000000..df5883f379ee6575b0d26e9e5d44f00f1fcffe1b --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__solvent_port_2.mtl @@ -0,0 +1,6 @@ +newmtl agilent_1290infinity__solvent_port_2 +Kd 0.0350 0.0470 0.0590 +Ka 0 0 0 +Ks 0.05 0.05 0.05 +Ns 20 +d 1 diff --git a/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__solvent_port_2.obj b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__solvent_port_2.obj new file mode 100644 index 0000000000000000000000000000000000000000..168d899cfe118919fb16d78cfa972770b47187cb --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__solvent_port_2.obj @@ -0,0 +1,294 @@ +mtllib agilent_1290infinity__solvent_port_2.mtl +usemtl agilent_1290infinity__solvent_port_2 +# https://github.com/mikedh/trimesh +v 0.08000000 -0.18400000 0.88200000 +v 0.08450000 -0.18400000 0.88200000 +v 0.08450000 -0.18400000 0.89400000 +v 0.08000000 -0.18400000 0.89400000 +v 0.08446150 -0.18341263 0.88200000 +v 0.08446150 -0.18341263 0.89400000 +v 0.08434667 -0.18283531 0.88200000 +v 0.08434667 -0.18283531 0.89400000 +v 0.08415746 -0.18227792 0.88200000 +v 0.08415746 -0.18227792 0.89400000 +v 0.08389711 -0.18175000 0.88200000 +v 0.08389711 -0.18175000 0.89400000 +v 0.08357009 -0.18126057 0.88200000 +v 0.08357009 -0.18126057 0.89400000 +v 0.08318198 -0.18081802 0.88200000 +v 0.08318198 -0.18081802 0.89400000 +v 0.08273943 -0.18042991 0.88200000 +v 0.08273943 -0.18042991 0.89400000 +v 0.08225000 -0.18010289 0.88200000 +v 0.08225000 -0.18010289 0.89400000 +v 0.08172208 -0.17984254 0.88200000 +v 0.08172208 -0.17984254 0.89400000 +v 0.08116469 -0.17965333 0.88200000 +v 0.08116469 -0.17965333 0.89400000 +v 0.08058737 -0.17953850 0.88200000 +v 0.08058737 -0.17953850 0.89400000 +v 0.08000000 -0.17950000 0.88200000 +v 0.08000000 -0.17950000 0.89400000 +v 0.07941263 -0.17953850 0.88200000 +v 0.07941263 -0.17953850 0.89400000 +v 0.07883531 -0.17965333 0.88200000 +v 0.07883531 -0.17965333 0.89400000 +v 0.07827792 -0.17984254 0.88200000 +v 0.07827792 -0.17984254 0.89400000 +v 0.07775000 -0.18010289 0.88200000 +v 0.07775000 -0.18010289 0.89400000 +v 0.07726057 -0.18042991 0.88200000 +v 0.07726057 -0.18042991 0.89400000 +v 0.07681802 -0.18081802 0.88200000 +v 0.07681802 -0.18081802 0.89400000 +v 0.07642991 -0.18126057 0.88200000 +v 0.07642991 -0.18126057 0.89400000 +v 0.07610289 -0.18175000 0.88200000 +v 0.07610289 -0.18175000 0.89400000 +v 0.07584254 -0.18227792 0.88200000 +v 0.07584254 -0.18227792 0.89400000 +v 0.07565333 -0.18283531 0.88200000 +v 0.07565333 -0.18283531 0.89400000 +v 0.07553850 -0.18341263 0.88200000 +v 0.07553850 -0.18341263 0.89400000 +v 0.07550000 -0.18400000 0.88200000 +v 0.07550000 -0.18400000 0.89400000 +v 0.07553850 -0.18458737 0.88200000 +v 0.07553850 -0.18458737 0.89400000 +v 0.07565333 -0.18516469 0.88200000 +v 0.07565333 -0.18516469 0.89400000 +v 0.07584254 -0.18572208 0.88200000 +v 0.07584254 -0.18572208 0.89400000 +v 0.07610289 -0.18625000 0.88200000 +v 0.07610289 -0.18625000 0.89400000 +v 0.07642991 -0.18673943 0.88200000 +v 0.07642991 -0.18673943 0.89400000 +v 0.07681802 -0.18718198 0.88200000 +v 0.07681802 -0.18718198 0.89400000 +v 0.07726057 -0.18757009 0.88200000 +v 0.07726057 -0.18757009 0.89400000 +v 0.07775000 -0.18789711 0.88200000 +v 0.07775000 -0.18789711 0.89400000 +v 0.07827792 -0.18815746 0.88200000 +v 0.07827792 -0.18815746 0.89400000 +v 0.07883531 -0.18834667 0.88200000 +v 0.07883531 -0.18834667 0.89400000 +v 0.07941263 -0.18846150 0.88200000 +v 0.07941263 -0.18846150 0.89400000 +v 0.08000000 -0.18850000 0.88200000 +v 0.08000000 -0.18850000 0.89400000 +v 0.08058737 -0.18846150 0.88200000 +v 0.08058737 -0.18846150 0.89400000 +v 0.08116469 -0.18834667 0.88200000 +v 0.08116469 -0.18834667 0.89400000 +v 0.08172208 -0.18815746 0.88200000 +v 0.08172208 -0.18815746 0.89400000 +v 0.08225000 -0.18789711 0.88200000 +v 0.08225000 -0.18789711 0.89400000 +v 0.08273943 -0.18757009 0.88200000 +v 0.08273943 -0.18757009 0.89400000 +v 0.08318198 -0.18718198 0.88200000 +v 0.08318198 -0.18718198 0.89400000 +v 0.08357009 -0.18673943 0.88200000 +v 0.08357009 -0.18673943 0.89400000 +v 0.08389711 -0.18625000 0.88200000 +v 0.08389711 -0.18625000 0.89400000 +v 0.08415746 -0.18572208 0.88200000 +v 0.08415746 -0.18572208 0.89400000 +v 0.08434667 -0.18516469 0.88200000 +v 0.08434667 -0.18516469 0.89400000 +v 0.08446150 -0.18458737 0.88200000 +v 0.08446150 -0.18458737 0.89400000 +f 2 1 5 +f 2 5 3 +f 3 5 6 +f 3 6 4 +f 5 1 7 +f 5 7 6 +f 6 7 8 +f 6 8 4 +f 7 1 9 +f 7 9 8 +f 8 9 10 +f 8 10 4 +f 9 1 11 +f 9 11 10 +f 10 11 12 +f 10 12 4 +f 11 1 13 +f 11 13 12 +f 12 13 14 +f 12 14 4 +f 13 1 15 +f 13 15 14 +f 14 15 16 +f 14 16 4 +f 15 1 17 +f 15 17 16 +f 16 17 18 +f 16 18 4 +f 17 1 19 +f 17 19 18 +f 18 19 20 +f 18 20 4 +f 19 1 21 +f 19 21 20 +f 20 21 22 +f 20 22 4 +f 21 1 23 +f 21 23 22 +f 22 23 24 +f 22 24 4 +f 23 1 25 +f 23 25 24 +f 24 25 26 +f 24 26 4 +f 25 1 27 +f 25 27 26 +f 26 27 28 +f 26 28 4 +f 27 1 29 +f 27 29 28 +f 28 29 30 +f 28 30 4 +f 29 1 31 +f 29 31 30 +f 30 31 32 +f 30 32 4 +f 31 1 33 +f 31 33 32 +f 32 33 34 +f 32 34 4 +f 33 1 35 +f 33 35 34 +f 34 35 36 +f 34 36 4 +f 35 1 37 +f 35 37 36 +f 36 37 38 +f 36 38 4 +f 37 1 39 +f 37 39 38 +f 38 39 40 +f 38 40 4 +f 39 1 41 +f 39 41 40 +f 40 41 42 +f 40 42 4 +f 41 1 43 +f 41 43 42 +f 42 43 44 +f 42 44 4 +f 43 1 45 +f 43 45 44 +f 44 45 46 +f 44 46 4 +f 45 1 47 +f 45 47 46 +f 46 47 48 +f 46 48 4 +f 47 1 49 +f 47 49 48 +f 48 49 50 +f 48 50 4 +f 49 1 51 +f 49 51 50 +f 50 51 52 +f 50 52 4 +f 51 1 53 +f 51 53 52 +f 52 53 54 +f 52 54 4 +f 53 1 55 +f 53 55 54 +f 54 55 56 +f 54 56 4 +f 55 1 57 +f 55 57 56 +f 56 57 58 +f 56 58 4 +f 57 1 59 +f 57 59 58 +f 58 59 60 +f 58 60 4 +f 59 1 61 +f 59 61 60 +f 60 61 62 +f 60 62 4 +f 61 1 63 +f 61 63 62 +f 62 63 64 +f 62 64 4 +f 63 1 65 +f 63 65 64 +f 64 65 66 +f 64 66 4 +f 65 1 67 +f 65 67 66 +f 66 67 68 +f 66 68 4 +f 67 1 69 +f 67 69 68 +f 68 69 70 +f 68 70 4 +f 69 1 71 +f 69 71 70 +f 70 71 72 +f 70 72 4 +f 71 1 73 +f 71 73 72 +f 72 73 74 +f 72 74 4 +f 73 1 75 +f 73 75 74 +f 74 75 76 +f 74 76 4 +f 75 1 77 +f 75 77 76 +f 76 77 78 +f 76 78 4 +f 77 1 79 +f 77 79 78 +f 78 79 80 +f 78 80 4 +f 79 1 81 +f 79 81 80 +f 80 81 82 +f 80 82 4 +f 81 1 83 +f 81 83 82 +f 82 83 84 +f 82 84 4 +f 83 1 85 +f 83 85 84 +f 84 85 86 +f 84 86 4 +f 85 1 87 +f 85 87 86 +f 86 87 88 +f 86 88 4 +f 87 1 89 +f 87 89 88 +f 88 89 90 +f 88 90 4 +f 89 1 91 +f 89 91 90 +f 90 91 92 +f 90 92 4 +f 91 1 93 +f 91 93 92 +f 92 93 94 +f 92 94 4 +f 93 1 95 +f 93 95 94 +f 94 95 96 +f 94 96 4 +f 95 1 97 +f 95 97 96 +f 96 97 98 +f 96 98 4 +f 97 1 2 +f 97 2 98 +f 98 2 3 +f 98 3 4 + diff --git a/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__tray_front.mtl b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__tray_front.mtl new file mode 100644 index 0000000000000000000000000000000000000000..4cf6cc684da48a622997183951d430e3dcd3eebc --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__tray_front.mtl @@ -0,0 +1,6 @@ +newmtl agilent_1290infinity__tray_front +Kd 0.8700 0.8800 0.8800 +Ka 0 0 0 +Ks 0.05 0.05 0.05 +Ns 20 +d 1 diff --git a/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__tray_front.obj b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__tray_front.obj new file mode 100644 index 0000000000000000000000000000000000000000..5ce7c34ae2cc564f0b961d36327a453aeefe676a --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__tray_front.obj @@ -0,0 +1,72 @@ +mtllib agilent_1290infinity__tray_front.mtl +usemtl agilent_1290infinity__tray_front +# https://github.com/mikedh/trimesh +v -0.19800000 -0.20850000 0.87850000 +v -0.19800000 -0.20850000 0.89850000 +v -0.19800000 -0.19950000 0.87850000 +v -0.19800000 -0.19950000 0.89850000 +v 0.19800000 -0.20850000 0.87850000 +v 0.19800000 -0.20850000 0.89850000 +v 0.19800000 -0.19950000 0.87850000 +v 0.19800000 -0.19950000 0.89850000 +v -0.19650000 -0.21000000 0.87850000 +v -0.19650000 -0.21000000 0.89850000 +v -0.19650000 -0.19800000 0.87850000 +v -0.19650000 -0.19800000 0.89850000 +v 0.19650000 -0.21000000 0.87850000 +v 0.19650000 -0.21000000 0.89850000 +v 0.19650000 -0.19800000 0.87850000 +v 0.19650000 -0.19800000 0.89850000 +v -0.19650000 -0.20850000 0.87700000 +v -0.19650000 -0.20850000 0.90000000 +v -0.19650000 -0.19950000 0.87700000 +v -0.19650000 -0.19950000 0.90000000 +v 0.19650000 -0.20850000 0.87700000 +v 0.19650000 -0.20850000 0.90000000 +v 0.19650000 -0.19950000 0.87700000 +v 0.19650000 -0.19950000 0.90000000 +f 1 17 9 +f 20 12 4 +f 7 23 15 +f 19 3 11 +f 24 8 16 +f 14 6 22 +f 18 2 10 +f 13 21 5 +f 1 2 3 +f 3 2 4 +f 16 15 12 +f 12 15 11 +f 12 3 4 +f 11 3 12 +f 4 2 20 +f 20 2 18 +f 7 21 23 +f 5 21 7 +f 7 15 16 +f 16 8 7 +f 11 15 19 +f 15 23 19 +f 23 21 19 +f 19 21 17 +f 1 3 19 +f 19 17 1 +f 5 7 6 +f 6 7 8 +f 24 6 8 +f 22 6 24 +f 16 12 24 +f 12 20 24 +f 24 20 18 +f 18 22 24 +f 10 2 1 +f 1 9 10 +f 10 22 18 +f 10 14 22 +f 5 6 13 +f 6 14 13 +f 17 21 13 +f 13 9 17 +f 13 10 9 +f 14 10 13 + diff --git a/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__tray_rear.mtl b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__tray_rear.mtl new file mode 100644 index 0000000000000000000000000000000000000000..64d80a6a573cc49677af4b2ab7538e052c6136db --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__tray_rear.mtl @@ -0,0 +1,6 @@ +newmtl agilent_1290infinity__tray_rear +Kd 0.8700 0.8800 0.8800 +Ka 0 0 0 +Ks 0.05 0.05 0.05 +Ns 20 +d 1 diff --git a/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__tray_rear.obj b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__tray_rear.obj new file mode 100644 index 0000000000000000000000000000000000000000..22e78d68913530f7c04bfb141c5c577bf97cc41e --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__tray_rear.obj @@ -0,0 +1,72 @@ +mtllib agilent_1290infinity__tray_rear.mtl +usemtl agilent_1290infinity__tray_rear +# https://github.com/mikedh/trimesh +v -0.19800000 0.19950000 0.87850000 +v -0.19800000 0.19950000 0.89850000 +v -0.19800000 0.20850000 0.87850000 +v -0.19800000 0.20850000 0.89850000 +v 0.19800000 0.19950000 0.87850000 +v 0.19800000 0.19950000 0.89850000 +v 0.19800000 0.20850000 0.87850000 +v 0.19800000 0.20850000 0.89850000 +v -0.19650000 0.19800000 0.87850000 +v -0.19650000 0.19800000 0.89850000 +v -0.19650000 0.21000000 0.87850000 +v -0.19650000 0.21000000 0.89850000 +v 0.19650000 0.19800000 0.87850000 +v 0.19650000 0.19800000 0.89850000 +v 0.19650000 0.21000000 0.87850000 +v 0.19650000 0.21000000 0.89850000 +v -0.19650000 0.19950000 0.87700000 +v -0.19650000 0.19950000 0.90000000 +v -0.19650000 0.20850000 0.87700000 +v -0.19650000 0.20850000 0.90000000 +v 0.19650000 0.19950000 0.87700000 +v 0.19650000 0.19950000 0.90000000 +v 0.19650000 0.20850000 0.87700000 +v 0.19650000 0.20850000 0.90000000 +f 1 17 9 +f 20 12 4 +f 7 23 15 +f 19 3 11 +f 24 8 16 +f 14 6 22 +f 18 2 10 +f 13 21 5 +f 1 2 3 +f 3 2 4 +f 16 15 12 +f 12 15 11 +f 12 3 4 +f 11 3 12 +f 4 2 20 +f 20 2 18 +f 7 21 23 +f 5 21 7 +f 7 15 16 +f 16 8 7 +f 11 15 19 +f 15 23 19 +f 23 21 19 +f 19 21 17 +f 1 3 19 +f 19 17 1 +f 5 7 6 +f 6 7 8 +f 24 6 8 +f 22 6 24 +f 16 12 24 +f 12 20 24 +f 24 20 18 +f 18 22 24 +f 10 2 1 +f 1 9 10 +f 10 22 18 +f 10 14 22 +f 5 6 13 +f 6 14 13 +f 17 21 13 +f 13 9 17 +f 13 10 9 +f 14 10 13 + diff --git a/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__tray_side_0_192.mtl b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__tray_side_0_192.mtl new file mode 100644 index 0000000000000000000000000000000000000000..78fb0083e5e105adb5cb97adebfa31c49fd43d3a --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__tray_side_0_192.mtl @@ -0,0 +1,6 @@ +newmtl agilent_1290infinity__tray_side_0_192 +Kd 0.8700 0.8800 0.8800 +Ka 0 0 0 +Ks 0.05 0.05 0.05 +Ns 20 +d 1 diff --git a/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__tray_side_0_192.obj b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__tray_side_0_192.obj new file mode 100644 index 0000000000000000000000000000000000000000..5583a79dd2bd2b13c47888d8b5bbe16808c57ae6 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__tray_side_0_192.obj @@ -0,0 +1,72 @@ +mtllib agilent_1290infinity__tray_side_0_192.mtl +usemtl agilent_1290infinity__tray_side_0_192 +# https://github.com/mikedh/trimesh +v 0.18600000 -0.20850000 0.87850000 +v 0.18600000 -0.20850000 0.89850000 +v 0.18600000 0.20850000 0.87850000 +v 0.18600000 0.20850000 0.89850000 +v 0.19800000 -0.20850000 0.87850000 +v 0.19800000 -0.20850000 0.89850000 +v 0.19800000 0.20850000 0.87850000 +v 0.19800000 0.20850000 0.89850000 +v 0.18750000 -0.21000000 0.87850000 +v 0.18750000 -0.21000000 0.89850000 +v 0.18750000 0.21000000 0.87850000 +v 0.18750000 0.21000000 0.89850000 +v 0.19650000 -0.21000000 0.87850000 +v 0.19650000 -0.21000000 0.89850000 +v 0.19650000 0.21000000 0.87850000 +v 0.19650000 0.21000000 0.89850000 +v 0.18750000 -0.20850000 0.87700000 +v 0.18750000 -0.20850000 0.90000000 +v 0.18750000 0.20850000 0.87700000 +v 0.18750000 0.20850000 0.90000000 +v 0.19650000 -0.20850000 0.87700000 +v 0.19650000 -0.20850000 0.90000000 +v 0.19650000 0.20850000 0.87700000 +v 0.19650000 0.20850000 0.90000000 +f 20 12 4 +f 1 17 9 +f 23 15 7 +f 13 21 5 +f 16 24 8 +f 19 3 11 +f 18 2 10 +f 6 22 14 +f 5 7 6 +f 6 7 8 +f 1 2 3 +f 3 2 4 +f 12 3 4 +f 11 3 12 +f 20 2 18 +f 4 2 20 +f 24 6 8 +f 24 22 6 +f 24 20 18 +f 18 22 24 +f 23 7 5 +f 5 21 23 +f 17 21 13 +f 13 9 17 +f 20 24 16 +f 12 20 16 +f 8 7 16 +f 7 15 16 +f 11 12 16 +f 16 15 11 +f 11 15 19 +f 15 23 19 +f 1 3 19 +f 19 17 1 +f 19 23 21 +f 19 21 17 +f 10 2 1 +f 1 9 10 +f 14 22 18 +f 18 10 14 +f 5 6 14 +f 14 13 5 +f 9 13 14 +f 14 10 9 + diff --git a/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__tray_side_m0_192.mtl b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__tray_side_m0_192.mtl new file mode 100644 index 0000000000000000000000000000000000000000..25740eefa4c6ed1fa88800c461decba2e7dae677 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__tray_side_m0_192.mtl @@ -0,0 +1,6 @@ +newmtl agilent_1290infinity__tray_side_m0_192 +Kd 0.8700 0.8800 0.8800 +Ka 0 0 0 +Ks 0.05 0.05 0.05 +Ns 20 +d 1 diff --git a/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__tray_side_m0_192.obj b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__tray_side_m0_192.obj new file mode 100644 index 0000000000000000000000000000000000000000..ca4055bd40d3878bc57962f1e9d4c4059c7342b8 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__tray_side_m0_192.obj @@ -0,0 +1,72 @@ +mtllib agilent_1290infinity__tray_side_m0_192.mtl +usemtl agilent_1290infinity__tray_side_m0_192 +# https://github.com/mikedh/trimesh +v -0.19800000 -0.20850000 0.87850000 +v -0.19800000 -0.20850000 0.89850000 +v -0.19800000 0.20850000 0.87850000 +v -0.19800000 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23 +f 17 21 13 +f 13 9 17 +f 20 24 16 +f 12 20 16 +f 8 7 16 +f 7 15 16 +f 11 12 16 +f 16 15 11 +f 11 15 19 +f 15 23 19 +f 1 3 19 +f 19 17 1 +f 19 23 21 +f 19 21 17 +f 10 2 1 +f 1 9 10 +f 14 22 18 +f 18 10 14 +f 5 6 14 +f 14 13 5 +f 9 13 14 +f 14 10 9 + diff --git a/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__vial_socket_0_0.mtl b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__vial_socket_0_0.mtl new file mode 100644 index 0000000000000000000000000000000000000000..03c1250307a8c4d481367fe468b586ae3401e397 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__vial_socket_0_0.mtl @@ -0,0 +1,6 @@ +newmtl agilent_1290infinity__vial_socket_0_0 +Kd 0.0350 0.0470 0.0590 +Ka 0 0 0 +Ks 0.05 0.05 0.05 +Ns 20 +d 1 diff --git a/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__vial_socket_0_0.obj b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__vial_socket_0_0.obj new file mode 100644 index 0000000000000000000000000000000000000000..f1be9e9a6d72a563f8fad6d8b3a21cb6dd927db6 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__vial_socket_0_0.obj @@ -0,0 +1,294 @@ +mtllib agilent_1290infinity__vial_socket_0_0.mtl +usemtl agilent_1290infinity__vial_socket_0_0 +# https://github.com/mikedh/trimesh +v -0.09000000 0.04000000 0.01700000 +v -0.08300000 0.04000000 0.01700000 +v -0.08300000 0.04000000 0.02100000 +v -0.09000000 0.04000000 0.02100000 +v -0.08305989 0.04091368 0.01700000 +v -0.08305989 0.04091368 0.02100000 +v -0.08323852 0.04181173 0.01700000 +v -0.08323852 0.04181173 0.02100000 +v -0.08353284 0.04267878 0.01700000 +v -0.08353284 0.04267878 0.02100000 +v -0.08393782 0.04350000 0.01700000 +v -0.08393782 0.04350000 0.02100000 +v -0.08444653 0.04426133 0.01700000 +v -0.08444653 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a/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__vial_socket_0_1.obj b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__vial_socket_0_1.obj new file mode 100644 index 0000000000000000000000000000000000000000..ec0e271944c894967ed2f1a9a5f588c4520c486e --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__vial_socket_0_1.obj @@ -0,0 +1,294 @@ +mtllib agilent_1290infinity__vial_socket_0_1.mtl +usemtl agilent_1290infinity__vial_socket_0_1 +# https://github.com/mikedh/trimesh +v -0.05400000 0.04000000 0.01700000 +v -0.04700000 0.04000000 0.01700000 +v -0.04700000 0.04000000 0.02100000 +v -0.05400000 0.04000000 0.02100000 +v -0.04705989 0.04091368 0.01700000 +v -0.04705989 0.04091368 0.02100000 +v -0.04723852 0.04181173 0.01700000 +v -0.04723852 0.04181173 0.02100000 +v -0.04753284 0.04267878 0.01700000 +v -0.04753284 0.04267878 0.02100000 +v -0.04793782 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0.05 0.05 +Ns 20 +d 1 diff --git a/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__vial_socket_0_2.obj b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__vial_socket_0_2.obj new file mode 100644 index 0000000000000000000000000000000000000000..486b7e2e1133ebebc6cbefb00801b1fb6c331365 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__vial_socket_0_2.obj @@ -0,0 +1,294 @@ +mtllib agilent_1290infinity__vial_socket_0_2.mtl +usemtl agilent_1290infinity__vial_socket_0_2 +# https://github.com/mikedh/trimesh +v -0.01800000 0.04000000 0.01700000 +v -0.01100000 0.04000000 0.01700000 +v -0.01100000 0.04000000 0.02100000 +v -0.01800000 0.04000000 0.02100000 +v -0.01105989 0.04091368 0.01700000 +v -0.01105989 0.04091368 0.02100000 +v -0.01123852 0.04181173 0.01700000 +v -0.01123852 0.04181173 0.02100000 +v -0.01153284 0.04267878 0.01700000 +v -0.01153284 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a/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__vial_socket_0_5.obj b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__vial_socket_0_5.obj new file mode 100644 index 0000000000000000000000000000000000000000..5e2ac79c9fa65ef05e12a797154e0609270565e0 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__vial_socket_0_5.obj @@ -0,0 +1,294 @@ +mtllib agilent_1290infinity__vial_socket_0_5.mtl +usemtl agilent_1290infinity__vial_socket_0_5 +# https://github.com/mikedh/trimesh +v 0.09000000 0.04000000 0.01700000 +v 0.09700000 0.04000000 0.01700000 +v 0.09700000 0.04000000 0.02100000 +v 0.09000000 0.04000000 0.02100000 +v 0.09694011 0.04091368 0.01700000 +v 0.09694011 0.04091368 0.02100000 +v 0.09676148 0.04181173 0.01700000 +v 0.09676148 0.04181173 0.02100000 +v 0.09646716 0.04267878 0.01700000 +v 0.09646716 0.04267878 0.02100000 +v 0.09606218 0.04350000 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a/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__vial_socket_1_0.obj b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__vial_socket_1_0.obj new file mode 100644 index 0000000000000000000000000000000000000000..67b2f9e76fec6c72a8775aed732112f5c0a354e2 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__vial_socket_1_0.obj @@ -0,0 +1,294 @@ +mtllib agilent_1290infinity__vial_socket_1_0.mtl +usemtl agilent_1290infinity__vial_socket_1_0 +# https://github.com/mikedh/trimesh +v -0.09000000 0.11000000 0.01700000 +v -0.08300000 0.11000000 0.01700000 +v -0.08300000 0.11000000 0.02100000 +v -0.09000000 0.11000000 0.02100000 +v -0.08305989 0.11091368 0.01700000 +v -0.08305989 0.11091368 0.02100000 +v -0.08323852 0.11181173 0.01700000 +v -0.08323852 0.11181173 0.02100000 +v -0.08353284 0.11267878 0.01700000 +v -0.08353284 0.11267878 0.02100000 +v -0.08393782 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0.05 0.05 +Ns 20 +d 1 diff --git a/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__vial_socket_1_1.obj b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__vial_socket_1_1.obj new file mode 100644 index 0000000000000000000000000000000000000000..84bb0c4ca0974a75564e7047eeb3d1b228bfd785 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__vial_socket_1_1.obj @@ -0,0 +1,294 @@ +mtllib agilent_1290infinity__vial_socket_1_1.mtl +usemtl agilent_1290infinity__vial_socket_1_1 +# https://github.com/mikedh/trimesh +v -0.05400000 0.11000000 0.01700000 +v -0.04700000 0.11000000 0.01700000 +v -0.04700000 0.11000000 0.02100000 +v -0.05400000 0.11000000 0.02100000 +v -0.04705989 0.11091368 0.01700000 +v -0.04705989 0.11091368 0.02100000 +v -0.04723852 0.11181173 0.01700000 +v -0.04723852 0.11181173 0.02100000 +v -0.04753284 0.11267878 0.01700000 +v -0.04753284 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0.0470 0.0590 +Ka 0 0 0 +Ks 0.05 0.05 0.05 +Ns 20 +d 1 diff --git a/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__vial_socket_1_2.obj b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__vial_socket_1_2.obj new file mode 100644 index 0000000000000000000000000000000000000000..85faa4c7a22969e6e892748a887dee3cf990a1d8 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__vial_socket_1_2.obj @@ -0,0 +1,294 @@ +mtllib agilent_1290infinity__vial_socket_1_2.mtl +usemtl agilent_1290infinity__vial_socket_1_2 +# https://github.com/mikedh/trimesh +v -0.01800000 0.11000000 0.01700000 +v -0.01100000 0.11000000 0.01700000 +v -0.01100000 0.11000000 0.02100000 +v -0.01800000 0.11000000 0.02100000 +v -0.01105989 0.11091368 0.01700000 +v -0.01105989 0.11091368 0.02100000 +v -0.01123852 0.11181173 0.01700000 +v -0.01123852 0.11181173 0.02100000 +v -0.01153284 0.11267878 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agilent_1290infinity__vial_socket_1_3 +Kd 0.0350 0.0470 0.0590 +Ka 0 0 0 +Ks 0.05 0.05 0.05 +Ns 20 +d 1 diff --git a/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__vial_socket_1_3.obj b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__vial_socket_1_3.obj new file mode 100644 index 0000000000000000000000000000000000000000..0e16265e807cd8061e8515eda345ec6097be1b54 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__vial_socket_1_3.obj @@ -0,0 +1,294 @@ +mtllib agilent_1290infinity__vial_socket_1_3.mtl +usemtl agilent_1290infinity__vial_socket_1_3 +# https://github.com/mikedh/trimesh +v 0.01800000 0.11000000 0.01700000 +v 0.02500000 0.11000000 0.01700000 +v 0.02500000 0.11000000 0.02100000 +v 0.01800000 0.11000000 0.02100000 +v 0.02494011 0.11091368 0.01700000 +v 0.02494011 0.11091368 0.02100000 +v 0.02476148 0.11181173 0.01700000 +v 0.02476148 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0.0590 +Ka 0 0 0 +Ks 0.05 0.05 0.05 +Ns 20 +d 1 diff --git a/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__vial_socket_1_4.obj b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__vial_socket_1_4.obj new file mode 100644 index 0000000000000000000000000000000000000000..b2619367064e8738a6b3b910941119a7baea9651 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__vial_socket_1_4.obj @@ -0,0 +1,294 @@ +mtllib agilent_1290infinity__vial_socket_1_4.mtl +usemtl agilent_1290infinity__vial_socket_1_4 +# https://github.com/mikedh/trimesh +v 0.05400000 0.11000000 0.01700000 +v 0.06100000 0.11000000 0.01700000 +v 0.06100000 0.11000000 0.02100000 +v 0.05400000 0.11000000 0.02100000 +v 0.06094011 0.11091368 0.01700000 +v 0.06094011 0.11091368 0.02100000 +v 0.06076148 0.11181173 0.01700000 +v 0.06076148 0.11181173 0.02100000 +v 0.06046716 0.11267878 0.01700000 +v 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a/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__vial_socket_1_5.obj b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__vial_socket_1_5.obj new file mode 100644 index 0000000000000000000000000000000000000000..2bfd389d61baf72f5689a73c648694b12f38ee36 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__vial_socket_1_5.obj @@ -0,0 +1,294 @@ +mtllib agilent_1290infinity__vial_socket_1_5.mtl +usemtl agilent_1290infinity__vial_socket_1_5 +# https://github.com/mikedh/trimesh +v 0.09000000 0.11000000 0.01700000 +v 0.09700000 0.11000000 0.01700000 +v 0.09700000 0.11000000 0.02100000 +v 0.09000000 0.11000000 0.02100000 +v 0.09694011 0.11091368 0.01700000 +v 0.09694011 0.11091368 0.02100000 +v 0.09676148 0.11181173 0.01700000 +v 0.09676148 0.11181173 0.02100000 +v 0.09646716 0.11267878 0.01700000 +v 0.09646716 0.11267878 0.02100000 +v 0.09606218 0.11350000 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a/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__vial_socket_2_0.obj b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__vial_socket_2_0.obj new file mode 100644 index 0000000000000000000000000000000000000000..29684a2a98034bf6f3a01a74f2f27d5e7118f7ea --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__vial_socket_2_0.obj @@ -0,0 +1,294 @@ +mtllib agilent_1290infinity__vial_socket_2_0.mtl +usemtl agilent_1290infinity__vial_socket_2_0 +# https://github.com/mikedh/trimesh +v -0.09000000 0.18000000 0.01700000 +v -0.08300000 0.18000000 0.01700000 +v -0.08300000 0.18000000 0.02100000 +v -0.09000000 0.18000000 0.02100000 +v -0.08305989 0.18091368 0.01700000 +v -0.08305989 0.18091368 0.02100000 +v -0.08323852 0.18181173 0.01700000 +v -0.08323852 0.18181173 0.02100000 +v -0.08353284 0.18267878 0.01700000 +v -0.08353284 0.18267878 0.02100000 +v -0.08393782 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0.0470 0.0590 +Ka 0 0 0 +Ks 0.05 0.05 0.05 +Ns 20 +d 1 diff --git a/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__vial_socket_2_2.obj b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__vial_socket_2_2.obj new file mode 100644 index 0000000000000000000000000000000000000000..1a633f4deb466bc3fec51fb2a1ce99f5de2f790c --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__vial_socket_2_2.obj @@ -0,0 +1,294 @@ +mtllib agilent_1290infinity__vial_socket_2_2.mtl +usemtl agilent_1290infinity__vial_socket_2_2 +# https://github.com/mikedh/trimesh +v -0.01800000 0.18000000 0.01700000 +v -0.01100000 0.18000000 0.01700000 +v -0.01100000 0.18000000 0.02100000 +v -0.01800000 0.18000000 0.02100000 +v -0.01105989 0.18091368 0.01700000 +v -0.01105989 0.18091368 0.02100000 +v -0.01123852 0.18181173 0.01700000 +v -0.01123852 0.18181173 0.02100000 +v -0.01153284 0.18267878 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0.0590 +Ka 0 0 0 +Ks 0.05 0.05 0.05 +Ns 20 +d 1 diff --git a/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__vial_socket_2_4.obj b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__vial_socket_2_4.obj new file mode 100644 index 0000000000000000000000000000000000000000..b0e69300cfb55c2e6a07ae08b125304e8ccc6e44 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__vial_socket_2_4.obj @@ -0,0 +1,294 @@ +mtllib agilent_1290infinity__vial_socket_2_4.mtl +usemtl agilent_1290infinity__vial_socket_2_4 +# https://github.com/mikedh/trimesh +v 0.05400000 0.18000000 0.01700000 +v 0.06100000 0.18000000 0.01700000 +v 0.06100000 0.18000000 0.02100000 +v 0.05400000 0.18000000 0.02100000 +v 0.06094011 0.18091368 0.01700000 +v 0.06094011 0.18091368 0.02100000 +v 0.06076148 0.18181173 0.01700000 +v 0.06076148 0.18181173 0.02100000 +v 0.06046716 0.18267878 0.01700000 +v 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a/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__vial_socket_2_5.obj b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__vial_socket_2_5.obj new file mode 100644 index 0000000000000000000000000000000000000000..5796c1422bb4452d65080a38fac9e4e2034734a3 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__vial_socket_2_5.obj @@ -0,0 +1,294 @@ +mtllib agilent_1290infinity__vial_socket_2_5.mtl +usemtl agilent_1290infinity__vial_socket_2_5 +# https://github.com/mikedh/trimesh +v 0.09000000 0.18000000 0.01700000 +v 0.09700000 0.18000000 0.01700000 +v 0.09700000 0.18000000 0.02100000 +v 0.09000000 0.18000000 0.02100000 +v 0.09694011 0.18091368 0.01700000 +v 0.09694011 0.18091368 0.02100000 +v 0.09676148 0.18181173 0.01700000 +v 0.09676148 0.18181173 0.02100000 +v 0.09646716 0.18267878 0.01700000 +v 0.09646716 0.18267878 0.02100000 +v 0.09606218 0.18350000 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a/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__vial_socket_3_0.obj b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__vial_socket_3_0.obj new file mode 100644 index 0000000000000000000000000000000000000000..53d812c3ca045916060213df83b517222756855b --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__vial_socket_3_0.obj @@ -0,0 +1,294 @@ +mtllib agilent_1290infinity__vial_socket_3_0.mtl +usemtl agilent_1290infinity__vial_socket_3_0 +# https://github.com/mikedh/trimesh +v -0.09000000 0.25000000 0.01700000 +v -0.08300000 0.25000000 0.01700000 +v -0.08300000 0.25000000 0.02100000 +v -0.09000000 0.25000000 0.02100000 +v -0.08305989 0.25091368 0.01700000 +v -0.08305989 0.25091368 0.02100000 +v -0.08323852 0.25181173 0.01700000 +v -0.08323852 0.25181173 0.02100000 +v -0.08353284 0.25267878 0.01700000 +v -0.08353284 0.25267878 0.02100000 +v -0.08393782 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0.05 0.05 +Ns 20 +d 1 diff --git a/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__vial_socket_3_1.obj b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__vial_socket_3_1.obj new file mode 100644 index 0000000000000000000000000000000000000000..2c1fce542f8b197eed380a7e92c2e1ceb6f98e0c --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__vial_socket_3_1.obj @@ -0,0 +1,294 @@ +mtllib agilent_1290infinity__vial_socket_3_1.mtl +usemtl agilent_1290infinity__vial_socket_3_1 +# https://github.com/mikedh/trimesh +v -0.05400000 0.25000000 0.01700000 +v -0.04700000 0.25000000 0.01700000 +v -0.04700000 0.25000000 0.02100000 +v -0.05400000 0.25000000 0.02100000 +v -0.04705989 0.25091368 0.01700000 +v -0.04705989 0.25091368 0.02100000 +v -0.04723852 0.25181173 0.01700000 +v -0.04723852 0.25181173 0.02100000 +v -0.04753284 0.25267878 0.01700000 +v -0.04753284 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0.0470 0.0590 +Ka 0 0 0 +Ks 0.05 0.05 0.05 +Ns 20 +d 1 diff --git a/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__vial_socket_3_2.obj b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__vial_socket_3_2.obj new file mode 100644 index 0000000000000000000000000000000000000000..90cfff03311d23ffd272ea3c1f1a7fb373378fcb --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__vial_socket_3_2.obj @@ -0,0 +1,294 @@ +mtllib agilent_1290infinity__vial_socket_3_2.mtl +usemtl agilent_1290infinity__vial_socket_3_2 +# https://github.com/mikedh/trimesh +v -0.01800000 0.25000000 0.01700000 +v -0.01100000 0.25000000 0.01700000 +v -0.01100000 0.25000000 0.02100000 +v -0.01800000 0.25000000 0.02100000 +v -0.01105989 0.25091368 0.01700000 +v -0.01105989 0.25091368 0.02100000 +v -0.01123852 0.25181173 0.01700000 +v -0.01123852 0.25181173 0.02100000 +v -0.01153284 0.25267878 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a/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__vial_socket_3_5.obj b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__vial_socket_3_5.obj new file mode 100644 index 0000000000000000000000000000000000000000..24f9239eb36573b898bed87939ddbef132fbab01 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__vial_socket_3_5.obj @@ -0,0 +1,294 @@ +mtllib agilent_1290infinity__vial_socket_3_5.mtl +usemtl agilent_1290infinity__vial_socket_3_5 +# https://github.com/mikedh/trimesh +v 0.09000000 0.25000000 0.01700000 +v 0.09700000 0.25000000 0.01700000 +v 0.09700000 0.25000000 0.02100000 +v 0.09000000 0.25000000 0.02100000 +v 0.09694011 0.25091368 0.01700000 +v 0.09694011 0.25091368 0.02100000 +v 0.09676148 0.25181173 0.01700000 +v 0.09676148 0.25181173 0.02100000 +v 0.09646716 0.25267878 0.01700000 +v 0.09646716 0.25267878 0.02100000 +v 0.09606218 0.25350000 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a/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__zone_divider.obj b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__zone_divider.obj new file mode 100644 index 0000000000000000000000000000000000000000..29dd2ed38c45ea7007725973510da5e1b256ccc6 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/agilent_1290infinity/meshes/agilent_1290infinity__zone_divider.obj @@ -0,0 +1,72 @@ +mtllib agilent_1290infinity__zone_divider.mtl +usemtl agilent_1290infinity__zone_divider +# https://github.com/mikedh/trimesh +v -0.00450000 -0.16537500 0.53562500 +v -0.00450000 -0.16537500 0.64637500 +v -0.00450000 -0.12662500 0.53562500 +v -0.00450000 -0.12662500 0.64637500 +v 0.00450000 -0.16537500 0.53562500 +v 0.00450000 -0.16537500 0.64637500 +v 0.00450000 -0.12662500 0.53562500 +v 0.00450000 -0.12662500 0.64637500 +v -0.00337500 -0.16650000 0.53562500 +v -0.00337500 -0.16650000 0.64637500 +v -0.00337500 -0.12550000 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a/assets/expansion_batch04/t3_analytical/elementar_isoprimeprecision/meshes/elementar_isoprimeprecision__amplifier.mtl b/assets/expansion_batch04/t3_analytical/elementar_isoprimeprecision/meshes/elementar_isoprimeprecision__amplifier.mtl new file mode 100644 index 0000000000000000000000000000000000000000..4b2f87373b1add88924c9035c9ff9f22967d80b8 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/elementar_isoprimeprecision/meshes/elementar_isoprimeprecision__amplifier.mtl @@ -0,0 +1,9 @@ +newmtl elementar_isoprimeprecision__amplifier +Kd 1.0000 1.0000 1.0000 +Ka 0 0 0 +Ks 0.465 0.465 0.465 +Ns 20 +d 1 +Pm 0.850 +Pr 0.320 +map_Kd ../textures/brushed.png diff --git a/assets/expansion_batch04/t3_analytical/elementar_isoprimeprecision/meshes/elementar_isoprimeprecision__amplifier.obj b/assets/expansion_batch04/t3_analytical/elementar_isoprimeprecision/meshes/elementar_isoprimeprecision__amplifier.obj new file mode 100644 index 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b/assets/expansion_batch04/t3_analytical/elementar_isoprimeprecision/meshes/elementar_isoprimeprecision__amplifier_screws.mtl new file mode 100644 index 0000000000000000000000000000000000000000..116d6a55e0c36caebadecc834770ae3a32ac080e --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/elementar_isoprimeprecision/meshes/elementar_isoprimeprecision__amplifier_screws.mtl @@ -0,0 +1,8 @@ +newmtl elementar_isoprimeprecision__amplifier_screws +Kd 0.2717 0.2717 0.2934 +Ka 0 0 0 +Ks 0.090 0.090 0.090 +Ns 20 +d 1 +Pm 0.100 +Pr 0.500 diff --git a/assets/expansion_batch04/t3_analytical/elementar_isoprimeprecision/meshes/elementar_isoprimeprecision__amplifier_screws.obj b/assets/expansion_batch04/t3_analytical/elementar_isoprimeprecision/meshes/elementar_isoprimeprecision__amplifier_screws.obj new file mode 100644 index 0000000000000000000000000000000000000000..97b13e96e9ac3d3d81091a97e0b93fe5de44b255 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/elementar_isoprimeprecision/meshes/elementar_isoprimeprecision__amplifier_screws.obj @@ -0,0 +1,118 @@ +mtllib elementar_isoprimeprecision__amplifier_screws.mtl +usemtl elementar_isoprimeprecision__amplifier_screws +# https://github.com/mikedh/trimesh +v -0.12200000 -0.15300000 0.40200000 +v -0.11900000 -0.15300000 0.40200000 +v -0.11900000 -0.14900000 0.40200000 +v -0.12200000 -0.14900000 0.40200000 +v -0.12050000 -0.15300000 0.39940192 +v -0.12050000 -0.14900000 0.39940192 +v -0.12350000 -0.15300000 0.39940192 +v -0.12350000 -0.14900000 0.39940192 +v -0.12500000 -0.15300000 0.40200000 +v -0.12500000 -0.14900000 0.40200000 +v -0.12350000 -0.15300000 0.40459808 +v -0.12350000 -0.14900000 0.40459808 +v -0.12050000 -0.15300000 0.40459808 +v -0.12050000 -0.14900000 0.40459808 +v -0.12200000 -0.15300000 0.50200000 +v -0.11900000 -0.15300000 0.50200000 +v -0.11900000 -0.14900000 0.50200000 +v -0.12200000 -0.14900000 0.50200000 +v -0.12050000 -0.15300000 0.49940192 +v -0.12050000 -0.14900000 0.49940192 +v -0.12350000 -0.15300000 0.49940192 +v -0.12350000 -0.14900000 0.49940192 +v -0.12500000 -0.15300000 0.50200000 +v -0.12500000 -0.14900000 0.50200000 +v -0.12350000 -0.15300000 0.50459808 +v -0.12350000 -0.14900000 0.50459808 +v -0.12050000 -0.15300000 0.50459808 +v -0.12050000 -0.14900000 0.50459808 +v -0.20200000 -0.15300000 0.52600000 +v -0.19900000 -0.15300000 0.52600000 +v -0.19900000 -0.14900000 0.52600000 +v -0.20200000 -0.14900000 0.52600000 +v -0.20050000 -0.15300000 0.52340192 +v -0.20050000 -0.14900000 0.52340192 +v -0.20350000 -0.15300000 0.52340192 +v -0.20350000 -0.14900000 0.52340192 +v -0.20500000 -0.15300000 0.52600000 +v -0.20500000 -0.14900000 0.52600000 +v -0.20350000 -0.15300000 0.52859808 +v -0.20350000 -0.14900000 0.52859808 +v -0.20050000 -0.15300000 0.52859808 +v -0.20050000 -0.14900000 0.52859808 +f 2 1 5 +f 2 5 3 +f 3 5 6 +f 3 6 4 +f 5 1 7 +f 5 7 6 +f 6 7 8 +f 6 8 4 +f 7 1 9 +f 7 9 8 +f 8 9 10 +f 8 10 4 +f 9 1 11 +f 9 11 10 +f 10 11 12 +f 10 12 4 +f 11 1 13 +f 11 13 12 +f 12 13 14 +f 12 14 4 +f 13 1 2 +f 13 2 14 +f 14 2 3 +f 14 3 4 +f 16 15 19 +f 16 19 17 +f 17 19 20 +f 17 20 18 +f 19 15 21 +f 19 21 20 +f 20 21 22 +f 20 22 18 +f 21 15 23 +f 21 23 22 +f 22 23 24 +f 22 24 18 +f 23 15 25 +f 23 25 24 +f 24 25 26 +f 24 26 18 +f 25 15 27 +f 25 27 26 +f 26 27 28 +f 26 28 18 +f 27 15 16 +f 27 16 28 +f 28 16 17 +f 28 17 18 +f 30 29 33 +f 30 33 31 +f 31 33 34 +f 31 34 32 +f 33 29 35 +f 33 35 34 +f 34 35 36 +f 34 36 32 +f 35 29 37 +f 35 37 36 +f 36 37 38 +f 36 38 32 +f 37 29 39 +f 37 39 38 +f 38 39 40 +f 38 40 32 +f 39 29 41 +f 39 41 40 +f 40 41 42 +f 40 42 32 +f 41 29 30 +f 41 30 42 +f 42 30 31 +f 42 31 32 + diff --git a/assets/expansion_batch04/t3_analytical/elementar_isoprimeprecision/meshes/elementar_isoprimeprecision__band.mtl b/assets/expansion_batch04/t3_analytical/elementar_isoprimeprecision/meshes/elementar_isoprimeprecision__band.mtl new file mode 100644 index 0000000000000000000000000000000000000000..2d0699ed8f631ec8f9e98391fcf2741315ea14eb --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/elementar_isoprimeprecision/meshes/elementar_isoprimeprecision__band.mtl @@ -0,0 +1,8 @@ +newmtl elementar_isoprimeprecision__band +Kd 0.2717 0.2717 0.2934 +Ka 0 0 0 +Ks 0.090 0.090 0.090 +Ns 20 +d 1 +Pm 0.100 +Pr 0.500 diff --git a/assets/expansion_batch04/t3_analytical/elementar_isoprimeprecision/meshes/elementar_isoprimeprecision__band.obj b/assets/expansion_batch04/t3_analytical/elementar_isoprimeprecision/meshes/elementar_isoprimeprecision__band.obj new file mode 100644 index 0000000000000000000000000000000000000000..493d470e65508678d13c567dafdb58cc8cbc0391 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/elementar_isoprimeprecision/meshes/elementar_isoprimeprecision__band.obj @@ -0,0 +1,24 @@ +mtllib elementar_isoprimeprecision__band.mtl +usemtl elementar_isoprimeprecision__band +# https://github.com/mikedh/trimesh +v -0.29450000 -0.22700000 0.32200000 +v -0.29450000 -0.22700000 0.36050000 +v -0.29450000 -0.19700000 0.32200000 +v -0.29450000 -0.19700000 0.36050000 +v 0.29450000 -0.22700000 0.32200000 +v 0.29450000 -0.22700000 0.36050000 +v 0.29450000 -0.19700000 0.32200000 +v 0.29450000 -0.19700000 0.36050000 +f 2 4 1 +f 5 2 1 +f 1 4 3 +f 3 5 1 +f 2 8 4 +f 6 2 5 +f 6 8 2 +f 4 8 3 +f 7 5 3 +f 3 8 7 +f 7 6 5 +f 8 6 7 + diff --git a/assets/expansion_batch04/t3_analytical/elementar_isoprimeprecision/meshes/elementar_isoprimeprecision__band_face.mtl b/assets/expansion_batch04/t3_analytical/elementar_isoprimeprecision/meshes/elementar_isoprimeprecision__band_face.mtl new file mode 100644 index 0000000000000000000000000000000000000000..de165711549d8038d13b5618a88144e56190e8ab --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/elementar_isoprimeprecision/meshes/elementar_isoprimeprecision__band_face.mtl @@ -0,0 +1,9 @@ +newmtl elementar_isoprimeprecision__band_face +Kd 1.0000 1.0000 1.0000 +Ka 0 0 0 +Ks 0.040 0.040 0.040 +Ns 20 +d 1 +Pm 0.000 +Pr 0.450 +map_Kd ../textures/band.png diff --git a/assets/expansion_batch04/t3_analytical/elementar_isoprimeprecision/meshes/elementar_isoprimeprecision__band_face.obj b/assets/expansion_batch04/t3_analytical/elementar_isoprimeprecision/meshes/elementar_isoprimeprecision__band_face.obj new file mode 100644 index 0000000000000000000000000000000000000000..55f13fe749e4c28dd66adac58b61430f7446ca2a --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/elementar_isoprimeprecision/meshes/elementar_isoprimeprecision__band_face.obj @@ -0,0 +1,14 @@ +mtllib elementar_isoprimeprecision__band_face.mtl +usemtl elementar_isoprimeprecision__band_face +# https://github.com/mikedh/trimesh +v -0.29450000 -0.22760000 0.32200000 +v 0.29450000 -0.22760000 0.32200000 +v 0.29450000 -0.22760000 0.36100000 +v -0.29450000 -0.22760000 0.36100000 +vt 0.00000000 0.00000000 +vt 1.00000000 0.00000000 +vt 1.00000000 1.00000000 +vt 0.00000000 1.00000000 +f 1/1 2/2 3/3 +f 1/1 3/3 4/4 + diff --git a/assets/expansion_batch04/t3_analytical/elementar_isoprimeprecision/meshes/elementar_isoprimeprecision__capillaries.mtl b/assets/expansion_batch04/t3_analytical/elementar_isoprimeprecision/meshes/elementar_isoprimeprecision__capillaries.mtl new file mode 100644 index 0000000000000000000000000000000000000000..588ca4304ebaedf3bccd9dd9b8cbbceed9d1f184 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/elementar_isoprimeprecision/meshes/elementar_isoprimeprecision__capillaries.mtl @@ -0,0 +1,8 @@ +newmtl elementar_isoprimeprecision__capillaries +Kd 0.8323 0.8379 0.8489 +Ka 0 0 0 +Ks 0.490 0.490 0.490 +Ns 20 +d 1 +Pm 0.900 +Pr 0.280 diff --git a/assets/expansion_batch04/t3_analytical/elementar_isoprimeprecision/meshes/elementar_isoprimeprecision__capillaries.obj b/assets/expansion_batch04/t3_analytical/elementar_isoprimeprecision/meshes/elementar_isoprimeprecision__capillaries.obj new file mode 100644 index 0000000000000000000000000000000000000000..ead1d5d49b7a369884c51361fea003fb49355482 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/elementar_isoprimeprecision/meshes/elementar_isoprimeprecision__capillaries.obj @@ -0,0 +1,1268 @@ +mtllib elementar_isoprimeprecision__capillaries.mtl +usemtl elementar_isoprimeprecision__capillaries +# https://github.com/mikedh/trimesh +v 0.21559596 -0.14895845 0.45200000 +v 0.21513008 -0.14895592 0.45142296 +v 0.21461451 -0.14935220 0.45106632 +v 0.21424619 -0.14999591 0.45106632 +v 0.21416580 -0.15064119 0.45142296 +v 0.21440404 -0.15104155 0.45200000 +v 0.21486992 -0.15104408 0.45257704 +v 0.21538549 -0.15064780 0.45293368 +v 0.21575381 -0.15000409 0.45293368 +v 0.21583420 -0.14935881 0.45257704 +v 0.21486671 -0.14856284 0.45257887 +v 0.21443973 -0.14857844 0.45197267 +v 0.21400980 -0.14901289 0.45155261 +v 0.21374114 -0.14970024 0.45147915 +v 0.21373636 -0.15037795 0.45178033 +v 0.21399729 -0.15078716 0.45234113 +v 0.21442427 -0.15077156 0.45294733 +v 0.21485420 -0.15033711 0.45336739 +v 0.21512286 -0.14964976 0.45344085 +v 0.21512764 -0.14897205 0.45313967 +v 0.21392741 -0.14844620 0.45314855 +v 0.21355957 -0.14847379 0.45250515 +v 0.21325912 -0.14893154 0.45200493 +v 0.21314082 -0.14964463 0.45183896 +v 0.21324986 -0.15034067 0.45207063 +v 0.21354459 -0.15075380 0.45261145 +v 0.21391243 -0.15072621 0.45325485 +v 0.21421288 -0.15026846 0.45375507 +v 0.21433118 -0.14955537 0.45392104 +v 0.21422214 -0.14885933 0.45368937 +v 0.21308322 -0.14847066 0.45360660 +v 0.21272330 -0.14849840 0.45295875 +v 0.21244004 -0.14895647 0.45244888 +v 0.21234164 -0.14966989 0.45227175 +v 0.21246567 -0.15036617 0.45249501 +v 0.21276478 -0.15077934 0.45303340 +v 0.21312470 -0.15075160 0.45368125 +v 0.21340796 -0.15029353 0.45419112 +v 0.21350636 -0.14958011 0.45436825 +v 0.21338233 -0.14888383 0.45414499 +v 0.21228873 -0.14845324 0.45405477 +v 0.21189875 -0.14847955 0.45342449 +v 0.21155051 -0.14893383 0.45295291 +v 0.21137701 -0.14964257 0.45282018 +v 0.21144453 -0.15033505 0.45307698 +v 0.21172727 -0.15074676 0.45362523 +v 0.21211725 -0.15072045 0.45425551 +v 0.21246549 -0.15026617 0.45472709 +v 0.21263899 -0.14955743 0.45485982 +v 0.21257147 -0.14886495 0.45460302 +v 0.21147761 -0.14827711 0.45458076 +v 0.21103844 -0.14829261 0.45398333 +v 0.21058459 -0.14872154 0.45358325 +v 0.21028941 -0.14940008 0.45353334 +v 0.21026565 -0.15006903 0.45385266 +v 0.21052239 -0.15047289 0.45441924 +v 0.21096156 -0.15045739 0.45501667 +v 0.21141541 -0.15002846 0.45541675 +v 0.21171059 -0.14934992 0.45546666 +v 0.21173435 -0.14868097 0.45514734 +v 0.21057872 -0.14780498 0.45528643 +v 0.21009165 -0.14779635 0.45472722 +v 0.20953596 -0.14817108 0.45440971 +v 0.20912390 -0.14878603 0.45445518 +v 0.20901287 -0.14940633 0.45484626 +v 0.20924528 -0.14979502 0.45543357 +v 0.20973235 -0.14980365 0.45599278 +v 0.21028804 -0.14942892 0.45631029 +v 0.21070010 -0.14881397 0.45626482 +v 0.21081113 -0.14819367 0.45587374 +v 0.20955795 -0.14685683 0.45627224 +v 0.20903623 -0.14681747 0.45574660 +v 0.20840747 -0.14712476 0.45550110 +v 0.20791184 -0.14766132 0.45562950 +v 0.20773865 -0.14822220 0.45608277 +v 0.20795405 -0.14859317 0.45668776 +v 0.20847577 -0.14863253 0.45721340 +v 0.20910453 -0.14832524 0.45745890 +v 0.20960016 -0.14778868 0.45733050 +v 0.20977335 -0.14722780 0.45687723 +v 0.20842874 -0.14525005 0.45761210 +v 0.20788568 -0.14518155 0.45711167 +v 0.20721211 -0.14542567 0.45692000 +v 0.20666531 -0.14588917 0.45711030 +v 0.20645414 -0.14639500 0.45760987 +v 0.20665926 -0.14674995 0.45822790 +v 0.20720232 -0.14681845 0.45872833 +v 0.20787589 -0.14657433 0.45892000 +v 0.20842269 -0.14611083 0.45872970 +v 0.20863386 -0.14560500 0.45823013 +v 0.20722087 -0.14282201 0.45936139 +v 0.20666538 -0.14272938 0.45887881 +v 0.20596574 -0.14292156 0.45872518 +v 0.20538919 -0.14332513 0.45895918 +v 0.20515596 -0.14378595 0.45949142 +v 0.20535513 -0.14412799 0.46011861 +v 0.20591062 -0.14422062 0.46060119 +v 0.20661026 -0.14402844 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a/assets/expansion_batch04/t3_analytical/elementar_isoprimeprecision/meshes/elementar_isoprimeprecision__chassis.obj b/assets/expansion_batch04/t3_analytical/elementar_isoprimeprecision/meshes/elementar_isoprimeprecision__chassis.obj new file mode 100644 index 0000000000000000000000000000000000000000..037c5b09fb6ad10c67b2c7e4ee06807072cdd70d --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/elementar_isoprimeprecision/meshes/elementar_isoprimeprecision__chassis.obj @@ -0,0 +1,488 @@ +mtllib elementar_isoprimeprecision__chassis.mtl +usemtl elementar_isoprimeprecision__chassis +# https://github.com/mikedh/trimesh +v -0.29350000 0.22800100 0.01200000 +v -0.29353841 0.22839099 0.01200000 +v -0.29365216 0.22876598 0.01200000 +v -0.29383689 0.22911158 0.01200000 +v -0.29408549 0.22941451 0.01200000 +v -0.29438842 0.22966311 0.01200000 +v -0.29473402 0.22984784 0.01200000 +v -0.29510901 0.22996159 0.01200000 +v -0.29549900 0.23000000 0.01200000 +v -0.29550100 0.23000000 0.01200000 +v 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0000000000000000000000000000000000000000..b8a8eaaa6662f46fac7a237de3d01b558bc5e8f5 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/elementar_isoprimeprecision/meshes/elementar_isoprimeprecision__deck.mtl @@ -0,0 +1,8 @@ +newmtl elementar_isoprimeprecision__deck +Kd 0.9063 0.9113 0.9163 +Ka 0 0 0 +Ks 0.040 0.040 0.040 +Ns 20 +d 1 +Pm 0.000 +Pr 0.450 diff --git a/assets/expansion_batch04/t3_analytical/elementar_isoprimeprecision/meshes/elementar_isoprimeprecision__deck.obj b/assets/expansion_batch04/t3_analytical/elementar_isoprimeprecision/meshes/elementar_isoprimeprecision__deck.obj new file mode 100644 index 0000000000000000000000000000000000000000..f55291cc7f3f1585d8b886fa7e34142c0f621dc8 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/elementar_isoprimeprecision/meshes/elementar_isoprimeprecision__deck.obj @@ -0,0 +1,44 @@ +mtllib elementar_isoprimeprecision__deck.mtl +usemtl elementar_isoprimeprecision__deck +# https://github.com/mikedh/trimesh +v -0.27350000 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b/assets/expansion_batch04/t3_analytical/elementar_isoprimeprecision/meshes/elementar_isoprimeprecision__electronics.mtl new file mode 100644 index 0000000000000000000000000000000000000000..f8d6188de7c76e6f83fd7216e71a3fe73f65ecfd --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/elementar_isoprimeprecision/meshes/elementar_isoprimeprecision__electronics.mtl @@ -0,0 +1,8 @@ +newmtl elementar_isoprimeprecision__electronics +Kd 0.5838 0.5926 0.6097 +Ka 0 0 0 +Ks 0.190 0.190 0.190 +Ns 20 +d 1 +Pm 0.300 +Pr 0.500 diff --git a/assets/expansion_batch04/t3_analytical/elementar_isoprimeprecision/meshes/elementar_isoprimeprecision__electronics.obj b/assets/expansion_batch04/t3_analytical/elementar_isoprimeprecision/meshes/elementar_isoprimeprecision__electronics.obj new file mode 100644 index 0000000000000000000000000000000000000000..feed768d146a918217085f494e6af58771b44f80 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/elementar_isoprimeprecision/meshes/elementar_isoprimeprecision__electronics.obj @@ -0,0 +1,124 @@ +mtllib elementar_isoprimeprecision__electronics.mtl +usemtl elementar_isoprimeprecision__electronics +# https://github.com/mikedh/trimesh +v -0.26750000 -0.12000000 0.03000000 +v -0.26750000 -0.12000000 0.30000000 +v -0.26750000 0.18000000 0.03000000 +v -0.26750000 0.18000000 0.30000000 +v -0.04000000 -0.12000000 0.03000000 +v -0.04000000 -0.12000000 0.30000000 +v -0.04000000 0.18000000 0.03000000 +v -0.04000000 0.18000000 0.30000000 +v -0.25750000 -0.11000000 0.04000000 +v -0.25750000 -0.11000000 0.29000000 +v -0.25750000 0.17000000 0.04000000 +v -0.25750000 0.17000000 0.29000000 +v -0.25550000 -0.11000000 0.04000000 +v -0.25550000 -0.11000000 0.29000000 +v -0.25550000 0.17000000 0.04000000 +v -0.25550000 0.17000000 0.29000000 +v -0.21250000 -0.11000000 0.04000000 +v -0.21250000 -0.11000000 0.29000000 +v -0.21250000 0.17000000 0.04000000 +v 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a/assets/expansion_batch04/t3_analytical/elementar_isoprimeprecision/meshes/elementar_isoprimeprecision__electronics_boards.mtl b/assets/expansion_batch04/t3_analytical/elementar_isoprimeprecision/meshes/elementar_isoprimeprecision__electronics_boards.mtl new file mode 100644 index 0000000000000000000000000000000000000000..76d2c219c5883c6d901e820a5997f18922e12301 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/elementar_isoprimeprecision/meshes/elementar_isoprimeprecision__electronics_boards.mtl @@ -0,0 +1,8 @@ +newmtl elementar_isoprimeprecision__electronics_boards +Kd 0.3133 0.5657 0.3811 +Ka 0 0 0 +Ks 0.090 0.090 0.090 +Ns 20 +d 1 +Pm 0.100 +Pr 0.600 diff --git a/assets/expansion_batch04/t3_analytical/elementar_isoprimeprecision/meshes/elementar_isoprimeprecision__electronics_boards.obj b/assets/expansion_batch04/t3_analytical/elementar_isoprimeprecision/meshes/elementar_isoprimeprecision__electronics_boards.obj new file mode 100644 index 0000000000000000000000000000000000000000..83f506c9b3896a08bdd4a4858881e6ffeae4716c --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/elementar_isoprimeprecision/meshes/elementar_isoprimeprecision__electronics_boards.obj @@ -0,0 +1,84 @@ +mtllib elementar_isoprimeprecision__electronics_boards.mtl +usemtl elementar_isoprimeprecision__electronics_boards +# https://github.com/mikedh/trimesh +v -0.24750000 -0.10000000 0.05000000 +v -0.24750000 -0.10000000 0.28000000 +v -0.24750000 0.16000000 0.05000000 +v -0.24750000 0.16000000 0.28000000 +v -0.24550000 -0.10000000 0.05000000 +v -0.24550000 -0.10000000 0.28000000 +v -0.24550000 0.16000000 0.05000000 +v -0.24550000 0.16000000 0.28000000 +v -0.20250000 -0.10000000 0.05000000 +v -0.20250000 -0.10000000 0.28000000 +v -0.20250000 0.16000000 0.05000000 +v -0.20250000 0.16000000 0.28000000 +v -0.20050000 -0.10000000 0.05000000 +v -0.20050000 -0.10000000 0.28000000 +v -0.20050000 0.16000000 0.05000000 +v -0.20050000 0.16000000 0.28000000 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-0.28333333 1.30666667 +vt -0.06666667 1.68333333 +vt -0.28333333 1.68333333 +vt -0.06666667 1.49500000 +vt -0.28333333 1.68333333 +vt -0.50000000 1.68333333 +vt -0.28333333 1.49500000 +vt -0.06666667 1.49500000 +vt -0.28333333 1.49500000 +vt -0.06666667 1.30666667 +vt -0.28333333 1.68333333 +vt -0.28333333 1.49500000 +vt -0.06666667 1.49500000 +f 1/1 2/2 3/3 +f 4/4 5/5 6/6 +f 7/7 8/8 9/9 +f 10/10 11/11 12/12 +f 13/13 14/14 15/15 +f 16/16 17/17 18/18 +f 19/19 20/20 21/21 +f 22/22 23/23 24/24 +f 25/25 26/26 27/27 +f 28/28 29/29 30/30 +f 31/31 32/32 33/33 +f 34/34 35/35 36/36 +f 37/37 38/38 39/39 +f 40/40 41/41 42/42 +f 43/43 44/44 45/45 +f 46/46 47/47 48/48 +f 49/49 50/50 51/51 +f 52/52 53/53 54/54 +f 55/55 56/56 57/57 +f 58/58 59/59 60/60 +f 61/61 62/62 63/63 +f 64/64 65/65 66/66 +f 67/67 68/68 69/69 +f 70/70 71/71 72/72 +f 73/73 74/74 75/75 +f 76/76 77/77 78/78 +f 79/79 80/80 81/81 +f 82/82 83/83 84/84 +f 85/85 86/86 87/87 +f 88/88 89/89 90/90 +f 91/91 92/92 93/93 +f 94/94 95/95 96/96 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1.0000 1.0000 1.0000 +Ka 0 0 0 +Ks 0.415 0.415 0.415 +Ns 20 +d 1 +Pm 0.750 +Pr 0.320 +map_Kd ../textures/front.png diff --git a/assets/expansion_batch04/t3_analytical/elementar_isoprimeprecision/meshes/elementar_isoprimeprecision__front_face.obj b/assets/expansion_batch04/t3_analytical/elementar_isoprimeprecision/meshes/elementar_isoprimeprecision__front_face.obj new file mode 100644 index 0000000000000000000000000000000000000000..93530b7d18adc2493e7df63e704c013b6ef56751 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/elementar_isoprimeprecision/meshes/elementar_isoprimeprecision__front_face.obj @@ -0,0 +1,14 @@ +mtllib elementar_isoprimeprecision__front_face.mtl +usemtl elementar_isoprimeprecision__front_face +# https://github.com/mikedh/trimesh +v -0.29350000 -0.23060000 0.01200000 +v 0.29350000 -0.23060000 0.01200000 +v 0.29350000 -0.23060000 0.32200000 +v -0.29350000 -0.23060000 0.32200000 +vt 0.00000000 0.00000000 +vt 1.00000000 0.00000000 +vt 1.00000000 1.00000000 +vt 0.00000000 1.00000000 +f 1/1 2/2 3/3 +f 1/1 3/3 4/4 + diff --git a/assets/expansion_batch04/t3_analytical/elementar_isoprimeprecision/meshes/elementar_isoprimeprecision__front_panel.mtl b/assets/expansion_batch04/t3_analytical/elementar_isoprimeprecision/meshes/elementar_isoprimeprecision__front_panel.mtl new file mode 100644 index 0000000000000000000000000000000000000000..d31b656c0fb12e777f9448faa550f07362533f5d --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/elementar_isoprimeprecision/meshes/elementar_isoprimeprecision__front_panel.mtl @@ -0,0 +1,8 @@ +newmtl elementar_isoprimeprecision__front_panel +Kd 0.8323 0.8379 0.8489 +Ka 0 0 0 +Ks 0.490 0.490 0.490 +Ns 20 +d 1 +Pm 0.900 +Pr 0.280 diff --git a/assets/expansion_batch04/t3_analytical/elementar_isoprimeprecision/meshes/elementar_isoprimeprecision__front_panel.obj b/assets/expansion_batch04/t3_analytical/elementar_isoprimeprecision/meshes/elementar_isoprimeprecision__front_panel.obj new file mode 100644 index 0000000000000000000000000000000000000000..71f777ed3a94c7fca3e23236ebcb84ad2b67d248 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/elementar_isoprimeprecision/meshes/elementar_isoprimeprecision__front_panel.obj @@ -0,0 +1,216 @@ +mtllib elementar_isoprimeprecision__front_panel.mtl +usemtl elementar_isoprimeprecision__front_panel +# https://github.com/mikedh/trimesh +v 0.29550000 -0.23000000 0.01500000 +v 0.29546157 -0.23000000 0.01460982 +v 0.29534776 -0.23000000 0.01423463 +v 0.29516294 -0.23000000 0.01388886 +v 0.29491421 -0.23000000 0.01358579 +v 0.29461114 -0.23000000 0.01333706 +v 0.29426537 -0.23000000 0.01315224 +v 0.29389018 -0.23000000 0.01303843 +v 0.29350000 -0.23000000 0.01300000 +v -0.29350000 -0.23000000 0.01300000 +v -0.29389018 -0.23000000 0.01303843 +v -0.29426537 -0.23000000 0.01315224 +v -0.29461114 -0.23000000 0.01333706 +v -0.29491421 -0.23000000 0.01358579 +v -0.29516294 -0.23000000 0.01388886 +v -0.29534776 -0.23000000 0.01423463 +v -0.29546157 -0.23000000 0.01460982 +v -0.29550000 -0.23000000 0.01500000 +v -0.29550000 -0.23000000 0.32000000 +v -0.29546157 -0.23000000 0.32039018 +v -0.29534776 -0.23000000 0.32076537 +v -0.29516294 -0.23000000 0.32111114 +v -0.29491421 -0.23000000 0.32141421 +v -0.29461114 -0.23000000 0.32166294 +v -0.29426537 -0.23000000 0.32184776 +v -0.29389018 -0.23000000 0.32196157 +v -0.29350000 -0.23000000 0.32200000 +v 0.29350000 -0.23000000 0.32200000 +v 0.29389018 -0.23000000 0.32196157 +v 0.29426537 -0.23000000 0.32184776 +v 0.29461114 -0.23000000 0.32166294 +v 0.29491421 -0.23000000 0.32141421 +v 0.29516294 -0.23000000 0.32111114 +v 0.29534776 -0.23000000 0.32076537 +v 0.29546157 -0.23000000 0.32039018 +v 0.29550000 -0.23000000 0.32000000 +v 0.29550000 -0.22000000 0.01500000 +v 0.29546157 -0.22000000 0.01460982 +v 0.29534776 -0.22000000 0.01423463 +v 0.29516294 -0.22000000 0.01388886 +v 0.29491421 -0.22000000 0.01358579 +v 0.29461114 -0.22000000 0.01333706 +v 0.29426537 -0.22000000 0.01315224 +v 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-0.22000000 0.32076537 +v 0.29546157 -0.22000000 0.32039018 +v 0.29550000 -0.22000000 0.32000000 +f 2 1 36 +f 72 37 38 +f 3 2 36 +f 72 38 39 +f 4 3 36 +f 72 39 40 +f 5 4 36 +f 72 40 41 +f 6 5 36 +f 72 41 42 +f 7 6 36 +f 72 42 43 +f 8 7 36 +f 72 43 44 +f 9 8 36 +f 72 44 45 +f 10 9 36 +f 72 45 46 +f 11 10 36 +f 72 46 47 +f 12 11 36 +f 72 47 48 +f 13 12 36 +f 72 48 49 +f 14 13 36 +f 72 49 50 +f 15 14 36 +f 72 50 51 +f 16 15 36 +f 72 51 52 +f 17 16 36 +f 72 52 53 +f 18 17 36 +f 72 53 54 +f 19 18 36 +f 72 54 55 +f 20 19 36 +f 72 55 56 +f 21 20 36 +f 72 56 57 +f 22 21 36 +f 72 57 58 +f 23 22 36 +f 72 58 59 +f 24 23 36 +f 72 59 60 +f 25 24 36 +f 72 60 61 +f 26 25 36 +f 72 61 62 +f 27 26 36 +f 72 62 63 +f 28 27 36 +f 72 63 64 +f 29 28 36 +f 72 64 65 +f 30 29 36 +f 72 65 66 +f 31 30 36 +f 72 66 67 +f 32 31 36 +f 72 67 68 +f 33 32 36 +f 72 68 69 +f 34 33 36 +f 72 69 70 +f 36 35 34 +f 70 71 72 +f 1 2 38 +f 1 38 37 +f 2 3 39 +f 2 39 38 +f 3 4 40 +f 3 40 39 +f 4 5 41 +f 4 41 40 +f 5 6 42 +f 5 42 41 +f 6 7 43 +f 6 43 42 +f 7 8 44 +f 7 44 43 +f 8 9 45 +f 8 45 44 +f 9 10 46 +f 9 46 45 +f 10 11 47 +f 10 47 46 +f 11 12 48 +f 11 48 47 +f 12 13 49 +f 12 49 48 +f 13 14 50 +f 13 50 49 +f 14 15 51 +f 14 51 50 +f 15 16 52 +f 15 52 51 +f 16 17 53 +f 16 53 52 +f 17 18 54 +f 17 54 53 +f 18 19 55 +f 18 55 54 +f 19 20 56 +f 19 56 55 +f 20 21 57 +f 20 57 56 +f 21 22 58 +f 21 58 57 +f 22 23 59 +f 22 59 58 +f 23 24 60 +f 23 60 59 +f 24 25 61 +f 24 61 60 +f 25 26 62 +f 25 62 61 +f 26 27 63 +f 26 63 62 +f 27 28 64 +f 27 64 63 +f 28 29 65 +f 28 65 64 +f 29 30 66 +f 29 66 65 +f 30 31 67 +f 30 67 66 +f 31 32 68 +f 31 68 67 +f 32 33 69 +f 32 69 68 +f 33 34 70 +f 33 70 69 +f 34 35 71 +f 34 71 70 +f 35 36 72 +f 35 72 71 +f 36 1 37 +f 36 37 72 + diff --git a/assets/expansion_batch04/t3_analytical/elementar_isoprimeprecision/meshes/elementar_isoprimeprecision__hood.mtl b/assets/expansion_batch04/t3_analytical/elementar_isoprimeprecision/meshes/elementar_isoprimeprecision__hood.mtl new file mode 100644 index 0000000000000000000000000000000000000000..4759ef2261a660b0d01c80a7983252e1686cf073 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/elementar_isoprimeprecision/meshes/elementar_isoprimeprecision__hood.mtl @@ -0,0 +1,8 @@ +newmtl elementar_isoprimeprecision__hood +Kd 0.2934 0.3133 0.3492 +Ka 0 0 0 +Ks 0.040 0.040 0.040 +Ns 20 +Pm 0.000 +Pr 0.050 +d 0.620 diff --git a/assets/expansion_batch04/t3_analytical/elementar_isoprimeprecision/meshes/elementar_isoprimeprecision__hood.obj b/assets/expansion_batch04/t3_analytical/elementar_isoprimeprecision/meshes/elementar_isoprimeprecision__hood.obj new file mode 100644 index 0000000000000000000000000000000000000000..65e0e5d397f97c95f4876de1b9288fad6af00e4c --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/elementar_isoprimeprecision/meshes/elementar_isoprimeprecision__hood.obj @@ -0,0 +1,84 @@ +mtllib elementar_isoprimeprecision__hood.mtl +usemtl elementar_isoprimeprecision__hood +# https://github.com/mikedh/trimesh +v -0.29550000 -0.43000000 -0.25200000 +v -0.29550000 -0.43000000 0.00100000 +v -0.29550000 -0.42500000 -0.25200000 +v -0.29550000 -0.42500000 0.00100000 +v 0.29550000 -0.43000000 -0.25200000 +v 0.29550000 -0.43000000 0.00100000 +v 0.29550000 -0.42500000 -0.25200000 +v 0.29550000 -0.42500000 0.00100000 +v -0.29550000 -0.43000000 0.00100000 +v -0.29550000 -0.43000000 0.00600000 +v -0.29550000 0.00000000 0.00100000 +v -0.29550000 0.00000000 0.00600000 +v 0.29550000 -0.43000000 0.00100000 +v 0.29550000 -0.43000000 0.00600000 +v 0.29550000 0.00000000 0.00100000 +v 0.29550000 0.00000000 0.00600000 +v -0.29550000 -0.43000000 -0.28300000 +v -0.29550000 -0.43000000 0.00100000 +v -0.29550000 0.00000000 -0.28300000 +v -0.29550000 0.00000000 0.00100000 +v -0.29050000 -0.43000000 -0.28300000 +v -0.29050000 -0.43000000 0.00100000 +v -0.29050000 0.00000000 -0.28300000 +v -0.29050000 0.00000000 0.00100000 +v 0.29050000 -0.43000000 -0.28300000 +v 0.29050000 -0.43000000 0.00100000 +v 0.29050000 0.00000000 -0.28300000 +v 0.29050000 0.00000000 0.00100000 +v 0.29550000 -0.43000000 -0.28300000 +v 0.29550000 -0.43000000 0.00100000 +v 0.29550000 0.00000000 -0.28300000 +v 0.29550000 0.00000000 0.00100000 +f 2 4 1 +f 5 2 1 +f 1 4 3 +f 3 5 1 +f 2 8 4 +f 6 2 5 +f 6 8 2 +f 4 8 3 +f 7 5 3 +f 3 8 7 +f 7 6 5 +f 8 6 7 +f 10 12 9 +f 13 10 9 +f 9 12 11 +f 11 13 9 +f 10 16 12 +f 14 10 13 +f 14 16 10 +f 12 16 11 +f 15 13 11 +f 11 16 15 +f 15 14 13 +f 16 14 15 +f 18 20 17 +f 21 18 17 +f 17 20 19 +f 19 21 17 +f 18 24 20 +f 22 18 21 +f 22 24 18 +f 20 24 19 +f 23 21 19 +f 19 24 23 +f 23 22 21 +f 24 22 23 +f 26 28 25 +f 29 26 25 +f 25 28 27 +f 27 29 25 +f 26 32 28 +f 30 26 29 +f 30 32 26 +f 28 32 27 +f 31 29 27 +f 27 32 31 +f 31 30 29 +f 32 30 31 + diff --git a/assets/expansion_batch04/t3_analytical/elementar_isoprimeprecision/meshes/elementar_isoprimeprecision__hood_frame.mtl b/assets/expansion_batch04/t3_analytical/elementar_isoprimeprecision/meshes/elementar_isoprimeprecision__hood_frame.mtl new file mode 100644 index 0000000000000000000000000000000000000000..da01d3d4188a66b008206f57c736a10230a6df88 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/elementar_isoprimeprecision/meshes/elementar_isoprimeprecision__hood_frame.mtl @@ -0,0 +1,8 @@ +newmtl elementar_isoprimeprecision__hood_frame +Kd 0.9261 0.9309 0.9357 +Ka 0 0 0 +Ks 0.040 0.040 0.040 +Ns 20 +d 1 +Pm 0.000 +Pr 0.450 diff --git a/assets/expansion_batch04/t3_analytical/elementar_isoprimeprecision/meshes/elementar_isoprimeprecision__hood_frame.obj b/assets/expansion_batch04/t3_analytical/elementar_isoprimeprecision/meshes/elementar_isoprimeprecision__hood_frame.obj new file mode 100644 index 0000000000000000000000000000000000000000..4567569ec50343a7df6daaf1b9a9b5b3177da636 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/elementar_isoprimeprecision/meshes/elementar_isoprimeprecision__hood_frame.obj @@ -0,0 +1,460 @@ +mtllib elementar_isoprimeprecision__hood_frame.mtl +usemtl elementar_isoprimeprecision__hood_frame +# https://github.com/mikedh/trimesh +v -0.29500000 -0.41200000 -0.25100000 +v -0.29500000 -0.41205764 -0.25041473 +v -0.29500000 -0.41222836 -0.24985195 +v -0.29500000 -0.41250559 -0.24933329 +v -0.29500000 -0.41287868 -0.24887868 +v -0.29500000 -0.41333329 -0.24850559 +v -0.29500000 -0.41385195 -0.24822836 +v -0.29500000 -0.41441473 -0.24805764 +v -0.29500000 -0.41500000 -0.24800000 +v -0.29500000 -0.43100000 -0.24800000 +v -0.29500000 -0.43158527 -0.24805764 +v -0.29500000 -0.43214805 -0.24822836 +v -0.29500000 -0.43266671 -0.24850559 +v -0.29500000 -0.43312132 -0.24887868 +v -0.29500000 -0.43349441 -0.24933329 +v -0.29500000 -0.43377164 -0.24985195 +v -0.29500000 -0.43394236 -0.25041473 +v -0.29500000 -0.43400000 -0.25100000 +v -0.29500000 -0.43400000 -0.27940000 +v -0.29500000 -0.43394236 -0.27998527 +v -0.29500000 -0.43377164 -0.28054805 +v -0.29500000 -0.43349441 -0.28106671 +v -0.29500000 -0.43312132 -0.28152132 +v -0.29500000 -0.43266671 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b/assets/expansion_batch04/t3_analytical/elementar_isoprimeprecision/meshes/elementar_isoprimeprecision__hood_trim.obj @@ -0,0 +1,84 @@ +mtllib elementar_isoprimeprecision__hood_trim.mtl +usemtl elementar_isoprimeprecision__hood_trim +# https://github.com/mikedh/trimesh +v -0.29500000 -0.43200000 -0.00200000 +v -0.29500000 -0.43200000 0.00540000 +v -0.29500000 -0.42600000 -0.00200000 +v -0.29500000 -0.42600000 0.00540000 +v 0.29500000 -0.43200000 -0.00200000 +v 0.29500000 -0.43200000 0.00540000 +v 0.29500000 -0.42600000 -0.00200000 +v 0.29500000 -0.42600000 0.00540000 +v -0.29500000 -0.43200000 -0.24740000 +v -0.29500000 -0.43200000 0.00540000 +v -0.29500000 -0.42200000 -0.24740000 +v -0.29500000 -0.42200000 0.00540000 +v -0.28750000 -0.43200000 -0.24740000 +v -0.28750000 -0.43200000 0.00540000 +v -0.28750000 -0.42200000 -0.24740000 +v -0.28750000 -0.42200000 0.00540000 +v 0.28750000 -0.43200000 -0.24740000 +v 0.28750000 -0.43200000 0.00540000 +v 0.28750000 -0.42200000 -0.24740000 +v 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b/assets/expansion_batch04/t3_analytical/elementar_isoprimeprecision/meshes/elementar_isoprimeprecision__led_amber.mtl @@ -0,0 +1,8 @@ +newmtl elementar_isoprimeprecision__led_amber +Kd 0.5838 0.5926 0.5926 +Ka 0 0 0 +Ks 0.040 0.040 0.040 +Ns 20 +d 1 +Pm 0.000 +Pr 0.300 diff --git a/assets/expansion_batch04/t3_analytical/elementar_isoprimeprecision/meshes/elementar_isoprimeprecision__led_amber.obj b/assets/expansion_batch04/t3_analytical/elementar_isoprimeprecision/meshes/elementar_isoprimeprecision__led_amber.obj new file mode 100644 index 0000000000000000000000000000000000000000..286f97de4210797e9bd9309948051932286dd3f0 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/elementar_isoprimeprecision/meshes/elementar_isoprimeprecision__led_amber.obj @@ -0,0 +1,150 @@ +mtllib elementar_isoprimeprecision__led_amber.mtl +usemtl elementar_isoprimeprecision__led_amber +# https://github.com/mikedh/trimesh +v 0.15000000 -0.23075000 0.34150000 +v 0.15420000 -0.23075000 0.34150000 +v 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b/assets/expansion_batch04/t3_analytical/elementar_isoprimeprecision/meshes/elementar_isoprimeprecision__led_green.mtl new file mode 100644 index 0000000000000000000000000000000000000000..5e8f98fbc6561a96b864d416e8ed8881a0a4cebf --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/elementar_isoprimeprecision/meshes/elementar_isoprimeprecision__led_green.mtl @@ -0,0 +1,8 @@ +newmtl elementar_isoprimeprecision__led_green +Kd 0.5838 0.5926 0.5926 +Ka 0 0 0 +Ks 0.040 0.040 0.040 +Ns 20 +d 1 +Pm 0.000 +Pr 0.300 diff --git a/assets/expansion_batch04/t3_analytical/elementar_isoprimeprecision/meshes/elementar_isoprimeprecision__led_green.obj b/assets/expansion_batch04/t3_analytical/elementar_isoprimeprecision/meshes/elementar_isoprimeprecision__led_green.obj new file mode 100644 index 0000000000000000000000000000000000000000..3cab5181ec3189fe75d7bbc172c0e30cb9498b38 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/elementar_isoprimeprecision/meshes/elementar_isoprimeprecision__led_green.obj @@ -0,0 +1,150 @@ +mtllib elementar_isoprimeprecision__led_green.mtl +usemtl elementar_isoprimeprecision__led_green +# https://github.com/mikedh/trimesh +v 0.13900000 -0.23075000 0.34150000 +v 0.14320000 -0.23075000 0.34150000 +v 0.14320000 -0.22925000 0.34150000 +v 0.13900000 -0.22925000 0.34150000 +v 0.14305689 -0.23075000 0.34041296 +v 0.14305689 -0.22925000 0.34041296 +v 0.14263731 -0.23075000 0.33940000 +v 0.14263731 -0.22925000 0.33940000 +v 0.14196985 -0.23075000 0.33853015 +v 0.14196985 -0.22925000 0.33853015 +v 0.14110000 -0.23075000 0.33786269 +v 0.14110000 -0.22925000 0.33786269 +v 0.14008704 -0.23075000 0.33744311 +v 0.14008704 -0.22925000 0.33744311 +v 0.13900000 -0.23075000 0.33730000 +v 0.13900000 -0.22925000 0.33730000 +v 0.13791296 -0.23075000 0.33744311 +v 0.13791296 -0.22925000 0.33744311 +v 0.13690000 -0.23075000 0.33786269 +v 0.13690000 -0.22925000 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0.34360000 +v 0.14263731 -0.22925000 0.34360000 +v 0.14305689 -0.23075000 0.34258704 +v 0.14305689 -0.22925000 0.34258704 +f 2 1 5 +f 2 5 3 +f 3 5 6 +f 3 6 4 +f 5 1 7 +f 5 7 6 +f 6 7 8 +f 6 8 4 +f 7 1 9 +f 7 9 8 +f 8 9 10 +f 8 10 4 +f 9 1 11 +f 9 11 10 +f 10 11 12 +f 10 12 4 +f 11 1 13 +f 11 13 12 +f 12 13 14 +f 12 14 4 +f 13 1 15 +f 13 15 14 +f 14 15 16 +f 14 16 4 +f 15 1 17 +f 15 17 16 +f 16 17 18 +f 16 18 4 +f 17 1 19 +f 17 19 18 +f 18 19 20 +f 18 20 4 +f 19 1 21 +f 19 21 20 +f 20 21 22 +f 20 22 4 +f 21 1 23 +f 21 23 22 +f 22 23 24 +f 22 24 4 +f 23 1 25 +f 23 25 24 +f 24 25 26 +f 24 26 4 +f 25 1 27 +f 25 27 26 +f 26 27 28 +f 26 28 4 +f 27 1 29 +f 27 29 28 +f 28 29 30 +f 28 30 4 +f 29 1 31 +f 29 31 30 +f 30 31 32 +f 30 32 4 +f 31 1 33 +f 31 33 32 +f 32 33 34 +f 32 34 4 +f 33 1 35 +f 33 35 34 +f 34 35 36 +f 34 36 4 +f 35 1 37 +f 35 37 36 +f 36 37 38 +f 36 38 4 +f 37 1 39 +f 37 39 38 +f 38 39 40 +f 38 40 4 +f 39 1 41 +f 39 41 40 +f 40 41 42 +f 40 42 4 +f 41 1 43 +f 41 43 42 +f 42 43 44 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b/assets/expansion_batch04/t3_analytical/elementar_isoprimeprecision/meshes/elementar_isoprimeprecision__led_red.obj new file mode 100644 index 0000000000000000000000000000000000000000..1dc5fe139984261ac8ecd64fb27c041d7853e48c --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/elementar_isoprimeprecision/meshes/elementar_isoprimeprecision__led_red.obj @@ -0,0 +1,150 @@ +mtllib elementar_isoprimeprecision__led_red.mtl +usemtl elementar_isoprimeprecision__led_red +# https://github.com/mikedh/trimesh +v 0.16100000 -0.23075000 0.34150000 +v 0.16520000 -0.23075000 0.34150000 +v 0.16520000 -0.22925000 0.34150000 +v 0.16100000 -0.22925000 0.34150000 +v 0.16505689 -0.23075000 0.34041296 +v 0.16505689 -0.22925000 0.34041296 +v 0.16463731 -0.23075000 0.33940000 +v 0.16463731 -0.22925000 0.33940000 +v 0.16396985 -0.23075000 0.33853015 +v 0.16396985 -0.22925000 0.33853015 +v 0.16310000 -0.23075000 0.33786269 +v 0.16310000 -0.22925000 0.33786269 +v 0.16208704 -0.23075000 0.33744311 +v 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32 +f 32 33 34 +f 32 34 4 +f 33 1 35 +f 33 35 34 +f 34 35 36 +f 34 36 4 +f 35 1 37 +f 35 37 36 +f 36 37 38 +f 36 38 4 +f 37 1 39 +f 37 39 38 +f 38 39 40 +f 38 40 4 +f 39 1 41 +f 39 41 40 +f 40 41 42 +f 40 42 4 +f 41 1 43 +f 41 43 42 +f 42 43 44 +f 42 44 4 +f 43 1 45 +f 43 45 44 +f 44 45 46 +f 44 46 4 +f 45 1 47 +f 45 47 46 +f 46 47 48 +f 46 48 4 +f 47 1 49 +f 47 49 48 +f 48 49 50 +f 48 50 4 +f 49 1 2 +f 49 2 50 +f 50 2 3 +f 50 3 4 + diff --git a/assets/expansion_batch04/t3_analytical/elementar_isoprimeprecision/meshes/elementar_isoprimeprecision__magnet.mtl b/assets/expansion_batch04/t3_analytical/elementar_isoprimeprecision/meshes/elementar_isoprimeprecision__magnet.mtl new file mode 100644 index 0000000000000000000000000000000000000000..e279de1be36a7c019a954b3c215ad94f0d2a3dad --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/elementar_isoprimeprecision/meshes/elementar_isoprimeprecision__magnet.mtl @@ -0,0 +1,8 @@ +newmtl elementar_isoprimeprecision__magnet +Kd 0.8323 0.8379 0.8489 +Ka 0 0 0 +Ks 0.490 0.490 0.490 +Ns 20 +d 1 +Pm 0.900 +Pr 0.280 diff --git a/assets/expansion_batch04/t3_analytical/elementar_isoprimeprecision/meshes/elementar_isoprimeprecision__magnet.obj b/assets/expansion_batch04/t3_analytical/elementar_isoprimeprecision/meshes/elementar_isoprimeprecision__magnet.obj new file mode 100644 index 0000000000000000000000000000000000000000..de341d9ef60e019da57b16461f8e34fdabae85d6 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/elementar_isoprimeprecision/meshes/elementar_isoprimeprecision__magnet.obj @@ -0,0 +1,354 @@ +mtllib elementar_isoprimeprecision__magnet.mtl +usemtl elementar_isoprimeprecision__magnet +# https://github.com/mikedh/trimesh +v -0.08700000 -0.02000000 0.39200000 +v -0.08700000 -0.02000000 0.61500000 +v -0.08700000 0.15000000 0.39200000 +v -0.08700000 0.15000000 0.61500000 +v -0.05200000 -0.02000000 0.39200000 +v -0.05200000 -0.02000000 0.61500000 +v -0.05200000 0.15000000 0.39200000 +v -0.05200000 0.15000000 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28 + diff --git a/assets/expansion_batch04/t3_analytical/elementar_isoprimeprecision/meshes/elementar_isoprimeprecision__magnet_cap.mtl b/assets/expansion_batch04/t3_analytical/elementar_isoprimeprecision/meshes/elementar_isoprimeprecision__magnet_cap.mtl new file mode 100644 index 0000000000000000000000000000000000000000..838fa29ac0668485c6a62fb45dd36cc08f7edda1 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/elementar_isoprimeprecision/meshes/elementar_isoprimeprecision__magnet_cap.mtl @@ -0,0 +1,8 @@ +newmtl elementar_isoprimeprecision__magnet_cap +Kd 0.9063 0.3133 0.2478 +Ka 0 0 0 +Ks 0.040 0.040 0.040 +Ns 20 +d 1 +Pm 0.000 +Pr 0.350 diff --git a/assets/expansion_batch04/t3_analytical/elementar_isoprimeprecision/meshes/elementar_isoprimeprecision__magnet_cap.obj b/assets/expansion_batch04/t3_analytical/elementar_isoprimeprecision/meshes/elementar_isoprimeprecision__magnet_cap.obj new file mode 100644 index 0000000000000000000000000000000000000000..6cda1bf55a9c9e270a336b36cf6600495f11bfc5 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/elementar_isoprimeprecision/meshes/elementar_isoprimeprecision__magnet_cap.obj @@ -0,0 +1,584 @@ +mtllib elementar_isoprimeprecision__magnet_cap.mtl +usemtl elementar_isoprimeprecision__magnet_cap +# https://github.com/mikedh/trimesh +v -0.15000000 0.08200000 0.57800000 +v -0.15000000 0.08200000 0.54400000 +v -0.09200000 0.08200000 0.54400000 +v -0.09200000 0.08200000 0.57800000 +v -0.15000000 0.08643789 0.54429087 +v -0.09200000 0.08643789 0.54429087 +v -0.15000000 0.09079985 0.54515852 +v -0.09200000 0.09079985 0.54515852 +v -0.15000000 0.09501124 0.54658810 +v -0.09200000 0.09501124 0.54658810 +v -0.15000000 0.09900000 0.54855514 +v -0.09200000 0.09900000 0.54855514 +v -0.15000000 0.10269789 0.55102599 +v -0.09200000 0.10269789 0.55102599 +v -0.15000000 0.10604163 0.55395837 +v -0.09200000 0.10604163 0.55395837 +v -0.15000000 0.10897401 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b/assets/expansion_batch04/t3_analytical/elementar_isoprimeprecision/meshes/elementar_isoprimeprecision__needle_grip.mtl @@ -0,0 +1,8 @@ +newmtl elementar_isoprimeprecision__needle_grip +Kd 0.2717 0.2717 0.2934 +Ka 0 0 0 +Ks 0.090 0.090 0.090 +Ns 20 +d 1 +Pm 0.100 +Pr 0.500 diff --git a/assets/expansion_batch04/t3_analytical/elementar_isoprimeprecision/meshes/elementar_isoprimeprecision__needle_grip.obj b/assets/expansion_batch04/t3_analytical/elementar_isoprimeprecision/meshes/elementar_isoprimeprecision__needle_grip.obj new file mode 100644 index 0000000000000000000000000000000000000000..6fc58c3687bd0564016cc6c1bf473462544c86cf --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/elementar_isoprimeprecision/meshes/elementar_isoprimeprecision__needle_grip.obj @@ -0,0 +1,576 @@ +mtllib elementar_isoprimeprecision__needle_grip.mtl +usemtl elementar_isoprimeprecision__needle_grip +# https://github.com/mikedh/trimesh +v 0.26900000 -0.15000000 0.44100000 +v 0.26900000 -0.14928057 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b/assets/expansion_batch04/t3_analytical/elementar_isoprimeprecision/meshes/elementar_isoprimeprecision__needle_valve.obj new file mode 100644 index 0000000000000000000000000000000000000000..b73331973758743be3b58dc776828e7f8c1210b1 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/elementar_isoprimeprecision/meshes/elementar_isoprimeprecision__needle_valve.obj @@ -0,0 +1,234 @@ +mtllib elementar_isoprimeprecision__needle_valve.mtl +usemtl elementar_isoprimeprecision__needle_valve +# https://github.com/mikedh/trimesh +v 0.24300000 -0.16200000 0.43200000 +v 0.24300000 -0.16200000 0.46400000 +v 0.24300000 -0.13800000 0.43200000 +v 0.24300000 -0.13800000 0.46400000 +v 0.26700000 -0.16200000 0.43200000 +v 0.26700000 -0.16200000 0.46400000 +v 0.26700000 -0.13800000 0.43200000 +v 0.26700000 -0.13800000 0.46400000 +v 0.21500000 -0.15000000 0.45200000 +v 0.21500000 -0.15000000 0.44600000 +v 0.24500000 -0.15000000 0.44600000 +v 0.24500000 -0.15000000 0.45200000 +v 0.21500000 -0.14480385 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a/assets/expansion_batch04/t3_analytical/elementar_isoprimeprecision/meshes/elementar_isoprimeprecision__power_bezel.obj b/assets/expansion_batch04/t3_analytical/elementar_isoprimeprecision/meshes/elementar_isoprimeprecision__power_bezel.obj new file mode 100644 index 0000000000000000000000000000000000000000..f984cf0e194128fbc9ebd815bec062a5a80c05da --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/elementar_isoprimeprecision/meshes/elementar_isoprimeprecision__power_bezel.obj @@ -0,0 +1,216 @@ +mtllib elementar_isoprimeprecision__power_bezel.mtl +usemtl elementar_isoprimeprecision__power_bezel +# https://github.com/mikedh/trimesh +v -0.18400000 0.21400000 0.11100000 +v -0.18403843 0.21400000 0.11060982 +v -0.18415224 0.21400000 0.11023463 +v -0.18433706 0.21400000 0.10988886 +v -0.18458579 0.21400000 0.10958579 +v -0.18488886 0.21400000 0.10933706 +v -0.18523463 0.21400000 0.10915224 +v -0.18560982 0.21400000 0.10903843 +v -0.18600000 0.21400000 0.10900000 +v -0.21400000 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a/assets/expansion_batch04/t3_analytical/elementar_isoprimeprecision/meshes/elementar_isoprimeprecision__power_switch.mtl b/assets/expansion_batch04/t3_analytical/elementar_isoprimeprecision/meshes/elementar_isoprimeprecision__power_switch.mtl new file mode 100644 index 0000000000000000000000000000000000000000..ad9d31cdfd47541d475ad08b2241c576985e7833 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/elementar_isoprimeprecision/meshes/elementar_isoprimeprecision__power_switch.mtl @@ -0,0 +1,8 @@ +newmtl elementar_isoprimeprecision__power_switch +Kd 0.2717 0.2717 0.2934 +Ka 0 0 0 +Ks 0.090 0.090 0.090 +Ns 20 +d 1 +Pm 0.100 +Pr 0.500 diff --git a/assets/expansion_batch04/t3_analytical/elementar_isoprimeprecision/meshes/elementar_isoprimeprecision__power_switch.obj b/assets/expansion_batch04/t3_analytical/elementar_isoprimeprecision/meshes/elementar_isoprimeprecision__power_switch.obj new file mode 100644 index 0000000000000000000000000000000000000000..664e80792c17461c291a1f795918387bc9771a4b --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/elementar_isoprimeprecision/meshes/elementar_isoprimeprecision__power_switch.obj @@ -0,0 +1,216 @@ +mtllib elementar_isoprimeprecision__power_switch.mtl +usemtl elementar_isoprimeprecision__power_switch +# https://github.com/mikedh/trimesh +v 0.01200000 -0.00400000 -0.00600000 +v 0.01196157 -0.00400000 -0.00639018 +v 0.01184776 -0.00400000 -0.00676537 +v 0.01166294 -0.00400000 -0.00711114 +v 0.01141421 -0.00400000 -0.00741421 +v 0.01111114 -0.00400000 -0.00766294 +v 0.01076537 -0.00400000 -0.00784776 +v 0.01039018 -0.00400000 -0.00796157 +v 0.01000000 -0.00400000 -0.00800000 +v -0.01000000 -0.00400000 -0.00800000 +v -0.01039018 -0.00400000 -0.00796157 +v -0.01076537 -0.00400000 -0.00784776 +v -0.01111114 -0.00400000 -0.00766294 +v -0.01141421 -0.00400000 -0.00741421 +v -0.01166294 -0.00400000 -0.00711114 +v -0.01184776 -0.00400000 -0.00676537 +v -0.01196157 -0.00400000 -0.00639018 +v -0.01200000 -0.00400000 -0.00600000 +v -0.01200000 -0.00400000 0.00600000 +v -0.01196157 -0.00400000 0.00639018 +v -0.01184776 -0.00400000 0.00676537 +v -0.01166294 -0.00400000 0.00711114 +v -0.01141421 -0.00400000 0.00741421 +v -0.01111114 -0.00400000 0.00766294 +v -0.01076537 -0.00400000 0.00784776 +v -0.01039018 -0.00400000 0.00796157 +v -0.01000000 -0.00400000 0.00800000 +v 0.01000000 -0.00400000 0.00800000 +v 0.01039018 -0.00400000 0.00796157 +v 0.01076537 -0.00400000 0.00784776 +v 0.01111114 -0.00400000 0.00766294 +v 0.01141421 -0.00400000 0.00741421 +v 0.01166294 -0.00400000 0.00711114 +v 0.01184776 -0.00400000 0.00676537 +v 0.01196157 -0.00400000 0.00639018 +v 0.01200000 -0.00400000 0.00600000 +v 0.01200000 0.00400000 -0.00600000 +v 0.01196157 0.00400000 -0.00639018 +v 0.01184776 0.00400000 -0.00676537 +v 0.01166294 0.00400000 -0.00711114 +v 0.01141421 0.00400000 -0.00741421 +v 0.01111114 0.00400000 -0.00766294 +v 0.01076537 0.00400000 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0.00400000 0.00676537 +v 0.01196157 0.00400000 0.00639018 +v 0.01200000 0.00400000 0.00600000 +f 2 1 36 +f 72 37 38 +f 3 2 36 +f 72 38 39 +f 4 3 36 +f 72 39 40 +f 5 4 36 +f 72 40 41 +f 6 5 36 +f 72 41 42 +f 7 6 36 +f 72 42 43 +f 8 7 36 +f 72 43 44 +f 9 8 36 +f 72 44 45 +f 10 9 36 +f 72 45 46 +f 11 10 36 +f 72 46 47 +f 12 11 36 +f 72 47 48 +f 13 12 36 +f 72 48 49 +f 14 13 36 +f 72 49 50 +f 15 14 36 +f 72 50 51 +f 16 15 36 +f 72 51 52 +f 17 16 36 +f 72 52 53 +f 18 17 36 +f 72 53 54 +f 19 18 36 +f 72 54 55 +f 20 19 36 +f 72 55 56 +f 21 20 36 +f 72 56 57 +f 22 21 36 +f 72 57 58 +f 23 22 36 +f 72 58 59 +f 24 23 36 +f 72 59 60 +f 25 24 36 +f 72 60 61 +f 26 25 36 +f 72 61 62 +f 27 26 36 +f 72 62 63 +f 28 27 36 +f 72 63 64 +f 29 28 36 +f 72 64 65 +f 30 29 36 +f 72 65 66 +f 31 30 36 +f 72 66 67 +f 32 31 36 +f 72 67 68 +f 33 32 36 +f 72 68 69 +f 34 33 36 +f 72 69 70 +f 36 35 34 +f 70 71 72 +f 1 2 38 +f 1 38 37 +f 2 3 39 +f 2 39 38 +f 3 4 40 +f 3 40 39 +f 4 5 41 +f 4 41 40 +f 5 6 42 +f 5 42 41 +f 6 7 43 +f 6 43 42 +f 7 8 44 +f 7 44 43 +f 8 9 45 +f 8 45 44 +f 9 10 46 +f 9 46 45 +f 10 11 47 +f 10 47 46 +f 11 12 48 +f 11 48 47 +f 12 13 49 +f 12 49 48 +f 13 14 50 +f 13 50 49 +f 14 15 51 +f 14 51 50 +f 15 16 52 +f 15 52 51 +f 16 17 53 +f 16 53 52 +f 17 18 54 +f 17 54 53 +f 18 19 55 +f 18 55 54 +f 19 20 56 +f 19 56 55 +f 20 21 57 +f 20 57 56 +f 21 22 58 +f 21 58 57 +f 22 23 59 +f 22 59 58 +f 23 24 60 +f 23 60 59 +f 24 25 61 +f 24 61 60 +f 25 26 62 +f 25 62 61 +f 26 27 63 +f 26 63 62 +f 27 28 64 +f 27 64 63 +f 28 29 65 +f 28 65 64 +f 29 30 66 +f 29 66 65 +f 30 31 67 +f 30 67 66 +f 31 32 68 +f 31 68 67 +f 32 33 69 +f 32 69 68 +f 33 34 70 +f 33 70 69 +f 34 35 71 +f 34 71 70 +f 35 36 72 +f 35 72 71 +f 36 1 37 +f 36 37 72 + diff --git a/assets/expansion_batch04/t3_analytical/elementar_isoprimeprecision/meshes/elementar_isoprimeprecision__rear_connections.mtl b/assets/expansion_batch04/t3_analytical/elementar_isoprimeprecision/meshes/elementar_isoprimeprecision__rear_connections.mtl new file mode 100644 index 0000000000000000000000000000000000000000..798233d7cd157fb0efe10c4978c0143210180499 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/elementar_isoprimeprecision/meshes/elementar_isoprimeprecision__rear_connections.mtl @@ -0,0 +1,8 @@ +newmtl elementar_isoprimeprecision__rear_connections +Kd 0.2717 0.2717 0.2934 +Ka 0 0 0 +Ks 0.090 0.090 0.090 +Ns 20 +d 1 +Pm 0.100 +Pr 0.500 diff --git a/assets/expansion_batch04/t3_analytical/elementar_isoprimeprecision/meshes/elementar_isoprimeprecision__rear_connections.obj b/assets/expansion_batch04/t3_analytical/elementar_isoprimeprecision/meshes/elementar_isoprimeprecision__rear_connections.obj new file mode 100644 index 0000000000000000000000000000000000000000..96a6879ba0f4c0dbddb83d89ae736cf9b88ed1df --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/elementar_isoprimeprecision/meshes/elementar_isoprimeprecision__rear_connections.obj @@ -0,0 +1,478 @@ +mtllib 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b/assets/expansion_batch04/t3_analytical/elementar_isoprimeprecision/meshes/elementar_isoprimeprecision__rear_face.obj new file mode 100644 index 0000000000000000000000000000000000000000..cf0cac064538638daede1c91387754129d37b4e3 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/elementar_isoprimeprecision/meshes/elementar_isoprimeprecision__rear_face.obj @@ -0,0 +1,14 @@ +mtllib elementar_isoprimeprecision__rear_face.mtl +usemtl elementar_isoprimeprecision__rear_face +# https://github.com/mikedh/trimesh +v 0.29150000 0.21460000 0.02000000 +v -0.29150000 0.21460000 0.02000000 +v -0.29150000 0.21460000 0.34000000 +v 0.29150000 0.21460000 0.34000000 +vt 0.00000000 0.00000000 +vt 1.00000000 0.00000000 +vt 1.00000000 1.00000000 +vt 0.00000000 1.00000000 +f 1/1 2/2 3/3 +f 1/1 3/3 4/4 + diff --git a/assets/expansion_batch04/t3_analytical/elementar_isoprimeprecision/meshes/elementar_isoprimeprecision__rear_panel.mtl b/assets/expansion_batch04/t3_analytical/elementar_isoprimeprecision/meshes/elementar_isoprimeprecision__rear_panel.mtl new file mode 100644 index 0000000000000000000000000000000000000000..70fcceb707af2e3e0e65c22c5c47502f8ebddf4b --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/elementar_isoprimeprecision/meshes/elementar_isoprimeprecision__rear_panel.mtl @@ -0,0 +1,8 @@ +newmtl elementar_isoprimeprecision__rear_panel +Kd 0.9063 0.9113 0.9163 +Ka 0 0 0 +Ks 0.040 0.040 0.040 +Ns 20 +d 1 +Pm 0.000 +Pr 0.450 diff --git a/assets/expansion_batch04/t3_analytical/elementar_isoprimeprecision/meshes/elementar_isoprimeprecision__rear_panel.obj b/assets/expansion_batch04/t3_analytical/elementar_isoprimeprecision/meshes/elementar_isoprimeprecision__rear_panel.obj new file mode 100644 index 0000000000000000000000000000000000000000..4ee939ea965d4983f79c2996a1ffff7960472e42 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/elementar_isoprimeprecision/meshes/elementar_isoprimeprecision__rear_panel.obj @@ -0,0 +1,44 @@ +mtllib elementar_isoprimeprecision__rear_panel.mtl +usemtl elementar_isoprimeprecision__rear_panel +# https://github.com/mikedh/trimesh +v -0.29300000 0.21000000 0.01650000 +v -0.29300000 0.21000000 0.64000000 +v -0.29300000 0.21400000 0.01650000 +v -0.29300000 0.21400000 0.64000000 +v 0.29300000 0.21000000 0.01650000 +v 0.29300000 0.21000000 0.64000000 +v 0.29300000 0.21400000 0.01650000 +v 0.29300000 0.21400000 0.64000000 +v -0.29300000 0.21450000 0.01650000 +v -0.29300000 0.21450000 0.02200000 +v -0.29300000 0.23000000 0.01650000 +v -0.29300000 0.23000000 0.02200000 +v 0.29300000 0.21450000 0.01650000 +v 0.29300000 0.21450000 0.02200000 +v 0.29300000 0.23000000 0.01650000 +v 0.29300000 0.23000000 0.02200000 +f 2 4 1 +f 5 2 1 +f 1 4 3 +f 3 5 1 +f 2 8 4 +f 6 2 5 +f 6 8 2 +f 4 8 3 +f 7 5 3 +f 3 8 7 +f 7 6 5 +f 8 6 7 +f 10 12 9 +f 13 10 9 +f 9 12 11 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b/assets/expansion_batch04/t3_analytical/elementar_isoprimeprecision/meshes/elementar_isoprimeprecision__source_hardware.obj new file mode 100644 index 0000000000000000000000000000000000000000..a2237d2a5642e43f8e2b158d556c8df980aa50a0 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/elementar_isoprimeprecision/meshes/elementar_isoprimeprecision__source_hardware.obj @@ -0,0 +1,1012 @@ +mtllib elementar_isoprimeprecision__source_hardware.mtl +usemtl elementar_isoprimeprecision__source_hardware +# https://github.com/mikedh/trimesh +v 0.17300000 -0.13300000 0.42200000 +v 0.17650000 -0.13300000 0.42200000 +v 0.17650000 -0.12900000 0.42200000 +v 0.17300000 -0.12900000 0.42200000 +v 0.17475000 -0.13300000 0.41896891 +v 0.17475000 -0.12900000 0.41896891 +v 0.17125000 -0.13300000 0.41896891 +v 0.17125000 -0.12900000 0.41896891 +v 0.16950000 -0.13300000 0.42200000 +v 0.16950000 -0.12900000 0.42200000 +v 0.17125000 -0.13300000 0.42503109 +v 0.17125000 -0.12900000 0.42503109 +v 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0.2934 +Ka 0 0 0 +Ks 0.090 0.090 0.090 +Ns 20 +d 1 +Pm 0.100 +Pr 0.500 diff --git a/assets/expansion_batch04/t3_analytical/elementar_isoprimeprecision/meshes/elementar_isoprimeprecision__status_led.obj b/assets/expansion_batch04/t3_analytical/elementar_isoprimeprecision/meshes/elementar_isoprimeprecision__status_led.obj new file mode 100644 index 0000000000000000000000000000000000000000..53c03cb8d2b96ac89eec2af56f3da0e0d426ab61 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/elementar_isoprimeprecision/meshes/elementar_isoprimeprecision__status_led.obj @@ -0,0 +1,216 @@ +mtllib elementar_isoprimeprecision__status_led.mtl +usemtl elementar_isoprimeprecision__status_led +# https://github.com/mikedh/trimesh +v 0.17100000 -0.22950000 0.33500000 +v 0.17094236 -0.22950000 0.33441473 +v 0.17077164 -0.22950000 0.33385195 +v 0.17049441 -0.22950000 0.33333329 +v 0.17012132 -0.22950000 0.33287868 +v 0.16966671 -0.22950000 0.33250559 +v 0.16914805 -0.22950000 0.33222836 +v 0.16858527 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72 71 +f 36 1 37 +f 36 37 72 + diff --git a/assets/expansion_batch04/t3_analytical/elementar_isoprimeprecision/meshes/elementar_isoprimeprecision__turbo_pump.mtl b/assets/expansion_batch04/t3_analytical/elementar_isoprimeprecision/meshes/elementar_isoprimeprecision__turbo_pump.mtl new file mode 100644 index 0000000000000000000000000000000000000000..c31b45c0299176fc1dc28ef91fb8a97fd6ea774b --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/elementar_isoprimeprecision/meshes/elementar_isoprimeprecision__turbo_pump.mtl @@ -0,0 +1,8 @@ +newmtl elementar_isoprimeprecision__turbo_pump +Kd 0.8323 0.8379 0.8489 +Ka 0 0 0 +Ks 0.490 0.490 0.490 +Ns 20 +d 1 +Pm 0.900 +Pr 0.280 diff --git a/assets/expansion_batch04/t3_analytical/elementar_isoprimeprecision/meshes/elementar_isoprimeprecision__turbo_pump.obj b/assets/expansion_batch04/t3_analytical/elementar_isoprimeprecision/meshes/elementar_isoprimeprecision__turbo_pump.obj new file mode 100644 index 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b/assets/expansion_batch04/t3_analytical/leco_onh836/meshes/leco_onh836__body.obj @@ -0,0 +1,104 @@ +mtllib leco_onh836__body.mtl +usemtl leco_onh836__body +# https://github.com/mikedh/trimesh +v -0.34700000 -0.37100000 0.03500000 +v -0.34700000 -0.37100000 0.06500000 +v -0.34700000 0.37100000 0.03500000 +v -0.34700000 0.37100000 0.06500000 +v 0.34700000 -0.37100000 0.03500000 +v 0.34700000 -0.37100000 0.06500000 +v 0.34700000 0.37100000 0.03500000 +v 0.34700000 0.37100000 0.06500000 +v -0.32700000 -0.35750000 0.00000000 +v -0.32700000 -0.35750000 0.03500000 +v -0.32700000 -0.28250000 0.00000000 +v -0.32700000 -0.28250000 0.03500000 +v -0.27700000 -0.35750000 0.00000000 +v -0.27700000 -0.35750000 0.03500000 +v -0.27700000 -0.28250000 0.00000000 +v -0.27700000 -0.28250000 0.03500000 +v -0.32700000 0.28250000 0.00000000 +v -0.32700000 0.28250000 0.03500000 +v -0.32700000 0.35750000 0.00000000 +v -0.32700000 0.35750000 0.03500000 +v -0.27700000 0.28250000 0.00000000 +v -0.27700000 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a/assets/expansion_batch04/t3_analytical/leco_onh836/meshes/leco_onh836__cabinet_internal_partition.obj b/assets/expansion_batch04/t3_analytical/leco_onh836/meshes/leco_onh836__cabinet_internal_partition.obj new file mode 100644 index 0000000000000000000000000000000000000000..d9e408022dc4c12abe67a6728bd6948b72715ea5 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/leco_onh836/meshes/leco_onh836__cabinet_internal_partition.obj @@ -0,0 +1,164 @@ +mtllib leco_onh836__cabinet_internal_partition.mtl +usemtl leco_onh836__cabinet_internal_partition +# https://github.com/mikedh/trimesh +v 0.04200000 -0.37400000 0.06500000 +v 0.04200000 -0.37400000 0.52800000 +v 0.04200000 -0.22900000 0.06500000 +v 0.04200000 -0.22900000 0.52800000 +v 0.04700000 -0.37400000 0.06500000 +v 0.04700000 -0.37400000 0.52800000 +v 0.04700000 -0.22900000 0.06500000 +v 0.04700000 -0.22900000 0.52800000 +v 0.04200000 -0.37400000 0.52800000 +v 0.04200000 -0.37400000 0.55000000 +v 0.04200000 -0.22900000 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mode 100644 index 0000000000000000000000000000000000000000..039e9efa354680148af8ec016c64813ef1681831 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/leco_onh836/meshes/leco_onh836__co_detector_optical_heads.obj @@ -0,0 +1,44 @@ +mtllib leco_onh836__co_detector_optical_heads.mtl +usemtl leco_onh836__co_detector_optical_heads +# https://github.com/mikedh/trimesh +v -0.31250000 -0.14450000 0.49600000 +v -0.31250000 -0.14450000 0.53200000 +v -0.31250000 -0.11150000 0.49600000 +v -0.31250000 -0.11150000 0.53200000 +v -0.30150000 -0.14450000 0.49600000 +v -0.30150000 -0.14450000 0.53200000 +v -0.30150000 -0.11150000 0.49600000 +v -0.30150000 -0.11150000 0.53200000 +v -0.26250000 -0.14450000 0.49600000 +v -0.26250000 -0.14450000 0.53200000 +v -0.26250000 -0.11150000 0.49600000 +v -0.26250000 -0.11150000 0.53200000 +v -0.25150000 -0.14450000 0.49600000 +v -0.25150000 -0.14450000 0.53200000 +v -0.25150000 -0.11150000 0.49600000 +v -0.25150000 -0.11150000 0.53200000 +f 2 4 1 +f 5 2 1 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b/assets/expansion_batch04/t3_analytical/leco_onh836/meshes/leco_onh836__control_port.obj @@ -0,0 +1,184 @@ +mtllib leco_onh836__control_port.mtl +usemtl leco_onh836__control_port +# https://github.com/mikedh/trimesh +v -0.01500000 -0.00600000 -0.01150000 +v -0.01500000 -0.00600000 -0.00700000 +v -0.01500000 0.00000000 -0.01150000 +v -0.01500000 0.00000000 -0.00700000 +v -0.01020000 -0.00600000 -0.01150000 +v -0.01020000 -0.00600000 -0.00700000 +v -0.01020000 0.00000000 -0.01150000 +v -0.01020000 0.00000000 -0.00700000 +v -0.01500000 -0.00600000 -0.00700000 +v -0.01500000 -0.00600000 0.00700000 +v -0.01500000 0.00000000 -0.00700000 +v -0.01500000 0.00000000 0.00700000 +v -0.01020000 -0.00600000 -0.00700000 +v -0.01020000 -0.00600000 0.00700000 +v -0.01020000 0.00000000 -0.00700000 +v -0.01020000 0.00000000 0.00700000 +v -0.01500000 -0.00600000 0.00700000 +v -0.01500000 -0.00600000 0.01150000 +v -0.01500000 0.00000000 0.00700000 +v -0.01500000 0.00000000 0.01150000 +v -0.01020000 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a/assets/expansion_batch04/t3_analytical/leco_onh836/meshes/leco_onh836__coolant_pump.mtl b/assets/expansion_batch04/t3_analytical/leco_onh836/meshes/leco_onh836__coolant_pump.mtl new file mode 100644 index 0000000000000000000000000000000000000000..1aa6deca2682bcee5af4b6f9ca1756d9e6351097 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/leco_onh836/meshes/leco_onh836__coolant_pump.mtl @@ -0,0 +1,6 @@ +newmtl leco_onh836__coolant_pump +Kd 0.1200 0.1300 0.1400 +Ka 0 0 0 +Ks 0.05 0.05 0.05 +Ns 20 +d 1 diff --git a/assets/expansion_batch04/t3_analytical/leco_onh836/meshes/leco_onh836__coolant_pump.obj b/assets/expansion_batch04/t3_analytical/leco_onh836/meshes/leco_onh836__coolant_pump.obj new file mode 100644 index 0000000000000000000000000000000000000000..4abbf3b2785b550eb763f1f3049597372db90b7b --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/leco_onh836/meshes/leco_onh836__coolant_pump.obj @@ -0,0 +1,314 @@ +mtllib leco_onh836__coolant_pump.mtl +usemtl leco_onh836__coolant_pump +# https://github.com/mikedh/trimesh +v -0.03700000 0.00000000 -0.00000000 +v -0.03700000 0.00000000 -0.02900000 +v 0.03700000 0.00000000 -0.02900000 +v 0.03700000 0.00000000 0.00000000 +v -0.03700000 0.00378526 -0.02875190 +v 0.03700000 0.00378526 -0.02875190 +v -0.03700000 0.00750575 -0.02801185 +v 0.03700000 0.00750575 -0.02801185 +v -0.03700000 0.01109782 -0.02679251 +v 0.03700000 0.01109782 -0.02679251 +v -0.03700000 0.01450000 -0.02511474 +v 0.03700000 0.01450000 -0.02511474 +v -0.03700000 0.01765408 -0.02300725 +v 0.03700000 0.01765408 -0.02300725 +v -0.03700000 0.02050610 -0.02050610 +v 0.03700000 0.02050610 -0.02050610 +v -0.03700000 0.02300725 -0.01765408 +v 0.03700000 0.02300725 -0.01765408 +v -0.03700000 0.02511474 -0.01450000 +v 0.03700000 0.02511474 -0.01450000 +v -0.03700000 0.02679251 -0.01109782 +v 0.03700000 0.02679251 -0.01109782 +v -0.03700000 0.02801185 -0.00750575 +v 0.03700000 0.02801185 -0.00750575 +v -0.03700000 0.02875190 -0.00378526 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a/assets/expansion_batch04/t3_analytical/leco_onh836/meshes/leco_onh836__coolant_reservoir.obj b/assets/expansion_batch04/t3_analytical/leco_onh836/meshes/leco_onh836__coolant_reservoir.obj new file mode 100644 index 0000000000000000000000000000000000000000..f038dcc21d43981e0a7523e52f4f4541fe2e4e5d --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/leco_onh836/meshes/leco_onh836__coolant_reservoir.obj @@ -0,0 +1,24 @@ +mtllib leco_onh836__coolant_reservoir.mtl +usemtl leco_onh836__coolant_reservoir +# https://github.com/mikedh/trimesh +v -0.08000000 -0.07000000 -0.06500000 +v -0.08000000 -0.07000000 0.06500000 +v -0.08000000 0.07000000 -0.06500000 +v -0.08000000 0.07000000 0.06500000 +v 0.08000000 -0.07000000 -0.06500000 +v 0.08000000 -0.07000000 0.06500000 +v 0.08000000 0.07000000 -0.06500000 +v 0.08000000 0.07000000 0.06500000 +f 2 4 1 +f 5 2 1 +f 1 4 3 +f 3 5 1 +f 2 8 4 +f 6 2 5 +f 6 8 2 +f 4 8 3 +f 7 5 3 +f 3 8 7 +f 7 6 5 +f 8 6 7 + diff --git a/assets/expansion_batch04/t3_analytical/leco_onh836/meshes/leco_onh836__cooling_fan_frame_0.mtl b/assets/expansion_batch04/t3_analytical/leco_onh836/meshes/leco_onh836__cooling_fan_frame_0.mtl new file mode 100644 index 0000000000000000000000000000000000000000..251ee5d71b82d00a5b9ec51bc387dc5e055dcb8f --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/leco_onh836/meshes/leco_onh836__cooling_fan_frame_0.mtl @@ -0,0 +1,6 @@ +newmtl leco_onh836__cooling_fan_frame_0 +Kd 0.1200 0.1300 0.1400 +Ka 0 0 0 +Ks 0.05 0.05 0.05 +Ns 20 +d 1 diff --git a/assets/expansion_batch04/t3_analytical/leco_onh836/meshes/leco_onh836__cooling_fan_frame_0.obj b/assets/expansion_batch04/t3_analytical/leco_onh836/meshes/leco_onh836__cooling_fan_frame_0.obj new file mode 100644 index 0000000000000000000000000000000000000000..cfa8334f4f556ecdf2ad0208af5ce783acaed0dc --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/leco_onh836/meshes/leco_onh836__cooling_fan_frame_0.obj @@ -0,0 +1,772 @@ +mtllib 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--git a/assets/expansion_batch04/t3_analytical/leco_onh836/meshes/leco_onh836__cover_socket_mount_0.mtl b/assets/expansion_batch04/t3_analytical/leco_onh836/meshes/leco_onh836__cover_socket_mount_0.mtl new file mode 100644 index 0000000000000000000000000000000000000000..39974d9eecb9a8483b12cf6bffc5f6a9b7e7bbf2 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/leco_onh836/meshes/leco_onh836__cover_socket_mount_0.mtl @@ -0,0 +1,6 @@ +newmtl leco_onh836__cover_socket_mount_0 +Kd 0.6000 0.6400 0.6800 +Ka 0 0 0 +Ks 0.05 0.05 0.05 +Ns 20 +d 1 diff --git a/assets/expansion_batch04/t3_analytical/leco_onh836/meshes/leco_onh836__cover_socket_mount_0.obj b/assets/expansion_batch04/t3_analytical/leco_onh836/meshes/leco_onh836__cover_socket_mount_0.obj new file mode 100644 index 0000000000000000000000000000000000000000..ce98ddd5360883fec911729e8f8ea47c1d86c593 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/leco_onh836/meshes/leco_onh836__cover_socket_mount_0.obj @@ -0,0 +1,24 @@ +mtllib leco_onh836__cover_socket_mount_0.mtl +usemtl leco_onh836__cover_socket_mount_0 +# https://github.com/mikedh/trimesh +v -0.01600000 -0.00900000 -0.01100000 +v -0.01600000 -0.00900000 0.01100000 +v -0.01600000 0.00900000 -0.01100000 +v -0.01600000 0.00900000 0.01100000 +v 0.01600000 -0.00900000 -0.01100000 +v 0.01600000 -0.00900000 0.01100000 +v 0.01600000 0.00900000 -0.01100000 +v 0.01600000 0.00900000 0.01100000 +f 2 4 1 +f 5 2 1 +f 1 4 3 +f 3 5 1 +f 2 8 4 +f 6 2 5 +f 6 8 2 +f 4 8 3 +f 7 5 3 +f 3 8 7 +f 7 6 5 +f 8 6 7 + diff --git a/assets/expansion_batch04/t3_analytical/leco_onh836/meshes/leco_onh836__cover_socket_mount_1.mtl b/assets/expansion_batch04/t3_analytical/leco_onh836/meshes/leco_onh836__cover_socket_mount_1.mtl new file mode 100644 index 0000000000000000000000000000000000000000..57ed127630396f469570e501bd7e7ee126ba9126 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/leco_onh836/meshes/leco_onh836__cover_socket_mount_1.mtl @@ -0,0 +1,6 @@ +newmtl leco_onh836__cover_socket_mount_1 +Kd 0.6000 0.6400 0.6800 +Ka 0 0 0 +Ks 0.05 0.05 0.05 +Ns 20 +d 1 diff --git a/assets/expansion_batch04/t3_analytical/leco_onh836/meshes/leco_onh836__cover_socket_mount_1.obj b/assets/expansion_batch04/t3_analytical/leco_onh836/meshes/leco_onh836__cover_socket_mount_1.obj new file mode 100644 index 0000000000000000000000000000000000000000..4cdb38ee38238498c324163c2647c9bb07003ccc --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/leco_onh836/meshes/leco_onh836__cover_socket_mount_1.obj @@ -0,0 +1,24 @@ +mtllib leco_onh836__cover_socket_mount_1.mtl +usemtl leco_onh836__cover_socket_mount_1 +# https://github.com/mikedh/trimesh +v -0.01600000 -0.00900000 -0.01100000 +v -0.01600000 -0.00900000 0.01100000 +v -0.01600000 0.00900000 -0.01100000 +v -0.01600000 0.00900000 0.01100000 +v 0.01600000 -0.00900000 -0.01100000 +v 0.01600000 -0.00900000 0.01100000 +v 0.01600000 0.00900000 -0.01100000 +v 0.01600000 0.00900000 0.01100000 +f 2 4 1 +f 5 2 1 +f 1 4 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b/assets/expansion_batch04/t3_analytical/leco_onh836/meshes/leco_onh836__crucible_mount.obj @@ -0,0 +1,772 @@ +mtllib leco_onh836__crucible_mount.mtl +usemtl leco_onh836__crucible_mount +# https://github.com/mikedh/trimesh +v 0.01080000 0.00000000 -0.00700000 +v 0.02100000 0.00000000 -0.00700000 +v 0.02100000 0.00000000 0.00700000 +v 0.01080000 0.00000000 0.00700000 +v 0.01074800 0.00105859 -0.00700000 +v 0.02089888 0.00205836 -0.00700000 +v 0.02089888 0.00205836 0.00700000 +v 0.01074800 0.00105859 0.00700000 +v 0.01059248 0.00210698 -0.00700000 +v 0.02059649 0.00409690 -0.00700000 +v 0.02059649 0.00409690 0.00700000 +v 0.01059248 0.00210698 0.00700000 +v 0.01033496 0.00313507 -0.00700000 +v 0.02009575 0.00609598 -0.00700000 +v 0.02009575 0.00609598 0.00700000 +v 0.01033496 0.00313507 0.00700000 +v 0.00997790 0.00413298 -0.00700000 +v 0.01940147 0.00803635 -0.00700000 +v 0.01940147 0.00803635 0.00700000 +v 0.00997790 0.00413298 0.00700000 +v 0.00952475 0.00509108 -0.00700000 +v 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1146 1147 566 +f 1148 568 567 +f 1147 1148 567 +f 1149 569 568 +f 1148 1149 568 +f 1150 570 569 +f 1149 1150 569 +f 1151 571 570 +f 1150 1151 570 +f 1152 572 571 +f 1151 1152 571 +f 1153 573 572 +f 1152 1153 572 +f 1154 574 573 +f 1153 1154 573 +f 1155 575 574 +f 1154 1155 574 +f 1156 576 575 +f 1155 1156 575 +f 1157 577 576 +f 1156 1157 576 +f 1158 578 577 +f 1157 1158 577 +f 1159 579 578 +f 1158 1159 578 +f 1160 580 579 +f 1159 1160 579 +f 1097 517 580 +f 1160 1097 580 + diff --git a/assets/expansion_batch04/t3_analytical/leco_onh836/meshes/leco_onh836__detector_bench_support.mtl b/assets/expansion_batch04/t3_analytical/leco_onh836/meshes/leco_onh836__detector_bench_support.mtl new file mode 100644 index 0000000000000000000000000000000000000000..3bb101e1365ffb779cd145e6349dea4fa5fb5cfd --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/leco_onh836/meshes/leco_onh836__detector_bench_support.mtl @@ -0,0 +1,6 @@ +newmtl leco_onh836__detector_bench_support +Kd 0.6000 0.6400 0.6800 +Ka 0 0 0 +Ks 0.05 0.05 0.05 +Ns 20 +d 1 diff --git a/assets/expansion_batch04/t3_analytical/leco_onh836/meshes/leco_onh836__detector_bench_support.obj b/assets/expansion_batch04/t3_analytical/leco_onh836/meshes/leco_onh836__detector_bench_support.obj new file mode 100644 index 0000000000000000000000000000000000000000..0616e6cc4ab41bf5d8c819ae02857e07fcedfe44 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/leco_onh836/meshes/leco_onh836__detector_bench_support.obj @@ -0,0 +1,84 @@ +mtllib leco_onh836__detector_bench_support.mtl +usemtl leco_onh836__detector_bench_support +# https://github.com/mikedh/trimesh +v -0.31700000 -0.20400000 0.06500000 +v -0.31700000 -0.20400000 0.42600000 +v -0.31700000 -0.17600000 0.06500000 +v -0.31700000 -0.17600000 0.42600000 +v -0.29500000 -0.20400000 0.06500000 +v -0.29500000 -0.20400000 0.42600000 +v -0.29500000 -0.17600000 0.06500000 +v -0.29500000 -0.17600000 0.42600000 +v -0.31700000 0.26600000 0.06500000 +v -0.31700000 0.26600000 0.42600000 +v -0.31700000 0.29400000 0.06500000 +v -0.31700000 0.29400000 0.42600000 +v -0.29500000 0.26600000 0.06500000 +v -0.29500000 0.26600000 0.42600000 +v -0.29500000 0.29400000 0.06500000 +v -0.29500000 0.29400000 0.42600000 +v -0.02700000 -0.20400000 0.06500000 +v -0.02700000 -0.20400000 0.42600000 +v -0.02700000 -0.17600000 0.06500000 +v -0.02700000 -0.17600000 0.42600000 +v -0.00500000 -0.20400000 0.06500000 +v -0.00500000 -0.20400000 0.42600000 +v -0.00500000 -0.17600000 0.06500000 +v -0.00500000 -0.17600000 0.42600000 +v -0.02700000 0.26600000 0.06500000 +v -0.02700000 0.26600000 0.42600000 +v -0.02700000 0.29400000 0.06500000 +v -0.02700000 0.29400000 0.42600000 +v -0.00500000 0.26600000 0.06500000 +v -0.00500000 0.26600000 0.42600000 +v -0.00500000 0.29400000 0.06500000 +v -0.00500000 0.29400000 0.42600000 +f 2 4 1 +f 5 2 1 +f 1 4 3 +f 3 5 1 +f 2 8 4 +f 6 2 5 +f 6 8 2 +f 4 8 3 +f 7 5 3 +f 3 8 7 +f 7 6 5 +f 8 6 7 +f 10 12 9 +f 13 10 9 +f 9 12 11 +f 11 13 9 +f 10 16 12 +f 14 10 13 +f 14 16 10 +f 12 16 11 +f 15 13 11 +f 11 16 15 +f 15 14 13 +f 16 14 15 +f 18 20 17 +f 21 18 17 +f 17 20 19 +f 19 21 17 +f 18 24 20 +f 22 18 21 +f 22 24 18 +f 20 24 19 +f 23 21 19 +f 19 24 23 +f 23 22 21 +f 24 22 23 +f 26 28 25 +f 29 26 25 +f 25 28 27 +f 27 29 25 +f 26 32 28 +f 30 26 29 +f 30 32 26 +f 28 32 27 +f 31 29 27 +f 27 32 31 +f 31 30 29 +f 32 30 31 + diff --git a/assets/expansion_batch04/t3_analytical/leco_onh836/meshes/leco_onh836__dfc_mount.mtl b/assets/expansion_batch04/t3_analytical/leco_onh836/meshes/leco_onh836__dfc_mount.mtl new file mode 100644 index 0000000000000000000000000000000000000000..004eee659653918ff46adca4f36b1d7a5e923c72 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/leco_onh836/meshes/leco_onh836__dfc_mount.mtl @@ -0,0 +1,6 @@ +newmtl leco_onh836__dfc_mount +Kd 0.6000 0.6400 0.6800 +Ka 0 0 0 +Ks 0.05 0.05 0.05 +Ns 20 +d 1 diff --git a/assets/expansion_batch04/t3_analytical/leco_onh836/meshes/leco_onh836__dfc_mount.obj b/assets/expansion_batch04/t3_analytical/leco_onh836/meshes/leco_onh836__dfc_mount.obj new file mode 100644 index 0000000000000000000000000000000000000000..8529f15c2cde63d0513c3d6d3bc30750ac4caba5 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/leco_onh836/meshes/leco_onh836__dfc_mount.obj @@ -0,0 +1,24 @@ +mtllib leco_onh836__dfc_mount.mtl +usemtl leco_onh836__dfc_mount +# https://github.com/mikedh/trimesh +v -0.01100000 -0.03500000 -0.12250000 +v -0.01100000 -0.03500000 0.12250000 +v -0.01100000 0.03500000 -0.12250000 +v -0.01100000 0.03500000 0.12250000 +v 0.01100000 -0.03500000 -0.12250000 +v 0.01100000 -0.03500000 0.12250000 +v 0.01100000 0.03500000 -0.12250000 +v 0.01100000 0.03500000 0.12250000 +f 2 4 1 +f 5 2 1 +f 1 4 3 +f 3 5 1 +f 2 8 4 +f 6 2 5 +f 6 8 2 +f 4 8 3 +f 7 5 3 +f 3 8 7 +f 7 6 5 +f 8 6 7 + diff --git a/assets/expansion_batch04/t3_analytical/leco_onh836/meshes/leco_onh836__display_h.mtl b/assets/expansion_batch04/t3_analytical/leco_onh836/meshes/leco_onh836__display_h.mtl new file mode 100644 index 0000000000000000000000000000000000000000..4d0739de12e7a6cb742402ca8c15f14139aa4ecb --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/leco_onh836/meshes/leco_onh836__display_h.mtl @@ -0,0 +1,6 @@ +newmtl leco_onh836__display_h +Kd 0.0500 0.4100 0.1800 +Ka 0 0 0 +Ks 0.05 0.05 0.05 +Ns 20 +d 1 diff --git a/assets/expansion_batch04/t3_analytical/leco_onh836/meshes/leco_onh836__display_h.obj b/assets/expansion_batch04/t3_analytical/leco_onh836/meshes/leco_onh836__display_h.obj new file mode 100644 index 0000000000000000000000000000000000000000..5437e16667eaab8f58192bfdf3ff9318245c93a4 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/leco_onh836/meshes/leco_onh836__display_h.obj @@ -0,0 +1,24 @@ +mtllib leco_onh836__display_h.mtl +usemtl leco_onh836__display_h +# https://github.com/mikedh/trimesh +v -0.14600000 -0.00050000 -0.00950000 +v -0.14600000 -0.00050000 0.00950000 +v -0.14600000 0.00050000 -0.00950000 +v -0.14600000 0.00050000 0.00950000 +v 0.14600000 -0.00050000 -0.00950000 +v 0.14600000 -0.00050000 0.00950000 +v 0.14600000 0.00050000 -0.00950000 +v 0.14600000 0.00050000 0.00950000 +f 2 4 1 +f 5 2 1 +f 1 4 3 +f 3 5 1 +f 2 8 4 +f 6 2 5 +f 6 8 2 +f 4 8 3 +f 7 5 3 +f 3 8 7 +f 7 6 5 +f 8 6 7 + diff --git a/assets/expansion_batch04/t3_analytical/leco_onh836/meshes/leco_onh836__display_n.mtl b/assets/expansion_batch04/t3_analytical/leco_onh836/meshes/leco_onh836__display_n.mtl new file mode 100644 index 0000000000000000000000000000000000000000..db3b3c2eed37595d471f4442c82b625cb6bba06c --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/leco_onh836/meshes/leco_onh836__display_n.mtl @@ -0,0 +1,6 @@ +newmtl leco_onh836__display_n +Kd 0.0500 0.4100 0.1800 +Ka 0 0 0 +Ks 0.05 0.05 0.05 +Ns 20 +d 1 diff --git a/assets/expansion_batch04/t3_analytical/leco_onh836/meshes/leco_onh836__display_n.obj b/assets/expansion_batch04/t3_analytical/leco_onh836/meshes/leco_onh836__display_n.obj new file mode 100644 index 0000000000000000000000000000000000000000..420af2149ae194344693f9367ab37c831f107889 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/leco_onh836/meshes/leco_onh836__display_n.obj @@ -0,0 +1,24 @@ +mtllib leco_onh836__display_n.mtl +usemtl leco_onh836__display_n +# https://github.com/mikedh/trimesh +v -0.14600000 -0.00050000 -0.00950000 +v -0.14600000 -0.00050000 0.00950000 +v -0.14600000 0.00050000 -0.00950000 +v -0.14600000 0.00050000 0.00950000 +v 0.14600000 -0.00050000 -0.00950000 +v 0.14600000 -0.00050000 0.00950000 +v 0.14600000 0.00050000 -0.00950000 +v 0.14600000 0.00050000 0.00950000 +f 2 4 1 +f 5 2 1 +f 1 4 3 +f 3 5 1 +f 2 8 4 +f 6 2 5 +f 6 8 2 +f 4 8 3 +f 7 5 3 +f 3 8 7 +f 7 6 5 +f 8 6 7 + diff --git a/assets/expansion_batch04/t3_analytical/leco_onh836/meshes/leco_onh836__display_o.mtl b/assets/expansion_batch04/t3_analytical/leco_onh836/meshes/leco_onh836__display_o.mtl new file mode 100644 index 0000000000000000000000000000000000000000..731b1083372074a65c3a52c8526d36122adda3de --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/leco_onh836/meshes/leco_onh836__display_o.mtl @@ -0,0 +1,6 @@ +newmtl leco_onh836__display_o +Kd 0.0500 0.4100 0.1800 +Ka 0 0 0 +Ks 0.05 0.05 0.05 +Ns 20 +d 1 diff --git a/assets/expansion_batch04/t3_analytical/leco_onh836/meshes/leco_onh836__display_o.obj b/assets/expansion_batch04/t3_analytical/leco_onh836/meshes/leco_onh836__display_o.obj new file mode 100644 index 0000000000000000000000000000000000000000..34e6b06ceac6d7b47b9239a214086b583d206d5b --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/leco_onh836/meshes/leco_onh836__display_o.obj @@ -0,0 +1,24 @@ +mtllib leco_onh836__display_o.mtl +usemtl leco_onh836__display_o +# https://github.com/mikedh/trimesh +v -0.14600000 -0.00050000 -0.00950000 +v -0.14600000 -0.00050000 0.00950000 +v -0.14600000 0.00050000 -0.00950000 +v -0.14600000 0.00050000 0.00950000 +v 0.14600000 -0.00050000 -0.00950000 +v 0.14600000 -0.00050000 0.00950000 +v 0.14600000 0.00050000 -0.00950000 +v 0.14600000 0.00050000 0.00950000 +f 2 4 1 +f 5 2 1 +f 1 4 3 +f 3 5 1 +f 2 8 4 +f 6 2 5 +f 6 8 2 +f 4 8 3 +f 7 5 3 +f 3 8 7 +f 7 6 5 +f 8 6 7 + diff --git a/assets/expansion_batch04/t3_analytical/leco_onh836/meshes/leco_onh836__display_panel.mtl b/assets/expansion_batch04/t3_analytical/leco_onh836/meshes/leco_onh836__display_panel.mtl new file mode 100644 index 0000000000000000000000000000000000000000..bbb204782e0c91e76e6194e37ce29c88e352fa8a --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/leco_onh836/meshes/leco_onh836__display_panel.mtl @@ -0,0 +1,6 @@ +newmtl leco_onh836__display_panel +Kd 0.1200 0.1300 0.1400 +Ka 0 0 0 +Ks 0.05 0.05 0.05 +Ns 20 +d 1 diff --git a/assets/expansion_batch04/t3_analytical/leco_onh836/meshes/leco_onh836__display_panel.obj b/assets/expansion_batch04/t3_analytical/leco_onh836/meshes/leco_onh836__display_panel.obj new file mode 100644 index 0000000000000000000000000000000000000000..690521e148a9f3f81e1b03e8182ce05777a3cf24 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/leco_onh836/meshes/leco_onh836__display_panel.obj @@ -0,0 +1,24 @@ +mtllib leco_onh836__display_panel.mtl +usemtl leco_onh836__display_panel +# https://github.com/mikedh/trimesh +v -0.15500000 -0.00400000 -0.08100000 +v -0.15500000 -0.00400000 0.08100000 +v -0.15500000 0.00400000 -0.08100000 +v -0.15500000 0.00400000 0.08100000 +v 0.15500000 -0.00400000 -0.08100000 +v 0.15500000 -0.00400000 0.08100000 +v 0.15500000 0.00400000 -0.08100000 +v 0.15500000 0.00400000 0.08100000 +f 2 4 1 +f 5 2 1 +f 1 4 3 +f 3 5 1 +f 2 8 4 +f 6 2 5 +f 6 8 2 +f 4 8 3 +f 7 5 3 +f 3 8 7 +f 7 6 5 +f 8 6 7 + diff --git a/assets/expansion_batch04/t3_analytical/leco_onh836/meshes/leco_onh836__display_power.mtl b/assets/expansion_batch04/t3_analytical/leco_onh836/meshes/leco_onh836__display_power.mtl new file mode 100644 index 0000000000000000000000000000000000000000..942bafa6534c5b45b31f6eaf013a5d83aa4b9002 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/leco_onh836/meshes/leco_onh836__display_power.mtl @@ -0,0 +1,6 @@ +newmtl leco_onh836__display_power +Kd 0.0500 0.4100 0.1800 +Ka 0 0 0 +Ks 0.05 0.05 0.05 +Ns 20 +d 1 diff --git a/assets/expansion_batch04/t3_analytical/leco_onh836/meshes/leco_onh836__display_power.obj b/assets/expansion_batch04/t3_analytical/leco_onh836/meshes/leco_onh836__display_power.obj new file mode 100644 index 0000000000000000000000000000000000000000..6281210b2d06e088e07fe1c81ceaf3209ecc3777 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/leco_onh836/meshes/leco_onh836__display_power.obj @@ -0,0 +1,24 @@ +mtllib leco_onh836__display_power.mtl +usemtl leco_onh836__display_power +# https://github.com/mikedh/trimesh +v -0.14600000 -0.00050000 -0.00950000 +v -0.14600000 -0.00050000 0.00950000 +v -0.14600000 0.00050000 -0.00950000 +v -0.14600000 0.00050000 0.00950000 +v 0.14600000 -0.00050000 -0.00950000 +v 0.14600000 -0.00050000 0.00950000 +v 0.14600000 0.00050000 -0.00950000 +v 0.14600000 0.00050000 0.00950000 +f 2 4 1 +f 5 2 1 +f 1 4 3 +f 3 5 1 +f 2 8 4 +f 6 2 5 +f 6 8 2 +f 4 8 3 +f 7 5 3 +f 3 8 7 +f 7 6 5 +f 8 6 7 + diff --git a/assets/expansion_batch04/t3_analytical/leco_onh836/meshes/leco_onh836__display_progress.mtl b/assets/expansion_batch04/t3_analytical/leco_onh836/meshes/leco_onh836__display_progress.mtl new file mode 100644 index 0000000000000000000000000000000000000000..cb7350f4de09fe5d4043d395703564db275af6de --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/leco_onh836/meshes/leco_onh836__display_progress.mtl @@ -0,0 +1,6 @@ +newmtl leco_onh836__display_progress +Kd 0.0500 0.4100 0.1800 +Ka 0 0 0 +Ks 0.05 0.05 0.05 +Ns 20 +d 1 diff --git a/assets/expansion_batch04/t3_analytical/leco_onh836/meshes/leco_onh836__display_progress.obj b/assets/expansion_batch04/t3_analytical/leco_onh836/meshes/leco_onh836__display_progress.obj new file mode 100644 index 0000000000000000000000000000000000000000..0a3fa16f2ceab1d514deb2d118a420f32e75428d --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/leco_onh836/meshes/leco_onh836__display_progress.obj @@ -0,0 +1,24 @@ +mtllib leco_onh836__display_progress.mtl +usemtl leco_onh836__display_progress +# https://github.com/mikedh/trimesh +v -0.14600000 -0.00050000 -0.00950000 +v -0.14600000 -0.00050000 0.00950000 +v -0.14600000 0.00050000 -0.00950000 +v -0.14600000 0.00050000 0.00950000 +v 0.14600000 -0.00050000 -0.00950000 +v 0.14600000 -0.00050000 0.00950000 +v 0.14600000 0.00050000 -0.00950000 +v 0.14600000 0.00050000 0.00950000 +f 2 4 1 +f 5 2 1 +f 1 4 3 +f 3 5 1 +f 2 8 4 +f 6 2 5 +f 6 8 2 +f 4 8 3 +f 7 5 3 +f 3 8 7 +f 7 6 5 +f 8 6 7 + diff --git a/assets/expansion_batch04/t3_analytical/leco_onh836/meshes/leco_onh836__display_signal.mtl b/assets/expansion_batch04/t3_analytical/leco_onh836/meshes/leco_onh836__display_signal.mtl new file mode 100644 index 0000000000000000000000000000000000000000..902edd303d2279474e8671975aa7727c77920407 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/leco_onh836/meshes/leco_onh836__display_signal.mtl @@ -0,0 +1,6 @@ +newmtl leco_onh836__display_signal +Kd 0.0500 0.4100 0.1800 +Ka 0 0 0 +Ks 0.05 0.05 0.05 +Ns 20 +d 1 diff --git a/assets/expansion_batch04/t3_analytical/leco_onh836/meshes/leco_onh836__display_signal.obj b/assets/expansion_batch04/t3_analytical/leco_onh836/meshes/leco_onh836__display_signal.obj new file mode 100644 index 0000000000000000000000000000000000000000..946cdfa97eed7d18a2b4a5490035cff717a65aaa --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/leco_onh836/meshes/leco_onh836__display_signal.obj @@ -0,0 +1,24 @@ +mtllib leco_onh836__display_signal.mtl +usemtl leco_onh836__display_signal +# https://github.com/mikedh/trimesh +v -0.14600000 -0.00050000 -0.00950000 +v -0.14600000 -0.00050000 0.00950000 +v -0.14600000 0.00050000 -0.00950000 +v -0.14600000 0.00050000 0.00950000 +v 0.14600000 -0.00050000 -0.00950000 +v 0.14600000 -0.00050000 0.00950000 +v 0.14600000 0.00050000 -0.00950000 +v 0.14600000 0.00050000 0.00950000 +f 2 4 1 +f 5 2 1 +f 1 4 3 +f 3 5 1 +f 2 8 4 +f 6 2 5 +f 6 8 2 +f 4 8 3 +f 7 5 3 +f 3 8 7 +f 7 6 5 +f 8 6 7 + diff --git a/assets/expansion_batch04/t3_analytical/leco_onh836/meshes/leco_onh836__drop_actuator_body.mtl b/assets/expansion_batch04/t3_analytical/leco_onh836/meshes/leco_onh836__drop_actuator_body.mtl new file mode 100644 index 0000000000000000000000000000000000000000..d239c974e931e6e8c331ab2323038f32eaa166b0 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/leco_onh836/meshes/leco_onh836__drop_actuator_body.mtl @@ -0,0 +1,6 @@ +newmtl leco_onh836__drop_actuator_body +Kd 0.6000 0.6400 0.6800 +Ka 0 0 0 +Ks 0.05 0.05 0.05 +Ns 20 +d 1 diff --git a/assets/expansion_batch04/t3_analytical/leco_onh836/meshes/leco_onh836__drop_actuator_body.obj b/assets/expansion_batch04/t3_analytical/leco_onh836/meshes/leco_onh836__drop_actuator_body.obj new file mode 100644 index 0000000000000000000000000000000000000000..5a6dbbaf0acda50b9142c9c1fbfb208ef761e0c0 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/leco_onh836/meshes/leco_onh836__drop_actuator_body.obj @@ -0,0 +1,164 @@ +mtllib leco_onh836__drop_actuator_body.mtl +usemtl leco_onh836__drop_actuator_body +# https://github.com/mikedh/trimesh +v -0.02000000 -0.02500000 -0.01500000 +v -0.02000000 -0.02500000 -0.00400000 +v -0.02000000 0.02500000 -0.01500000 +v -0.02000000 0.02500000 -0.00400000 +v -0.00400000 -0.02500000 -0.01500000 +v -0.00400000 -0.02500000 -0.00400000 +v -0.00400000 0.02500000 -0.01500000 +v -0.00400000 0.02500000 -0.00400000 +v -0.02000000 -0.02500000 -0.00400000 +v -0.02000000 -0.02500000 0.00400000 +v -0.02000000 0.02500000 -0.00400000 +v -0.02000000 0.02500000 0.00400000 +v -0.00400000 -0.02500000 -0.00400000 +v -0.00400000 -0.02500000 0.00400000 +v -0.00400000 0.02500000 -0.00400000 +v -0.00400000 0.02500000 0.00400000 +v -0.02000000 -0.02500000 0.00400000 +v -0.02000000 -0.02500000 0.01500000 +v -0.02000000 0.02500000 0.00400000 +v -0.02000000 0.02500000 0.01500000 +v -0.00400000 -0.02500000 0.00400000 +v -0.00400000 -0.02500000 0.01500000 +v -0.00400000 0.02500000 0.00400000 +v -0.00400000 0.02500000 0.01500000 +v -0.00400000 -0.02500000 -0.01500000 +v -0.00400000 -0.02500000 -0.00400000 +v -0.00400000 0.02500000 -0.01500000 +v -0.00400000 0.02500000 -0.00400000 +v 0.00400000 -0.02500000 -0.01500000 +v 0.00400000 -0.02500000 -0.00400000 +v 0.00400000 0.02500000 -0.01500000 +v 0.00400000 0.02500000 -0.00400000 +v -0.00400000 -0.02500000 0.00400000 +v -0.00400000 -0.02500000 0.01500000 +v -0.00400000 0.02500000 0.00400000 +v -0.00400000 0.02500000 0.01500000 +v 0.00400000 -0.02500000 0.00400000 +v 0.00400000 -0.02500000 0.01500000 +v 0.00400000 0.02500000 0.00400000 +v 0.00400000 0.02500000 0.01500000 +v 0.00400000 -0.02500000 -0.01500000 +v 0.00400000 -0.02500000 -0.00400000 +v 0.00400000 0.02500000 -0.01500000 +v 0.00400000 0.02500000 -0.00400000 +v 0.02000000 -0.02500000 -0.01500000 +v 0.02000000 -0.02500000 -0.00400000 +v 0.02000000 0.02500000 -0.01500000 +v 0.02000000 0.02500000 -0.00400000 +v 0.00400000 -0.02500000 -0.00400000 +v 0.00400000 -0.02500000 0.00400000 +v 0.00400000 0.02500000 -0.00400000 +v 0.00400000 0.02500000 0.00400000 +v 0.02000000 -0.02500000 -0.00400000 +v 0.02000000 -0.02500000 0.00400000 +v 0.02000000 0.02500000 -0.00400000 +v 0.02000000 0.02500000 0.00400000 +v 0.00400000 -0.02500000 0.00400000 +v 0.00400000 -0.02500000 0.01500000 +v 0.00400000 0.02500000 0.00400000 +v 0.00400000 0.02500000 0.01500000 +v 0.02000000 -0.02500000 0.00400000 +v 0.02000000 -0.02500000 0.01500000 +v 0.02000000 0.02500000 0.00400000 +v 0.02000000 0.02500000 0.01500000 +f 2 4 1 +f 5 2 1 +f 1 4 3 +f 3 5 1 +f 2 8 4 +f 6 2 5 +f 6 8 2 +f 4 8 3 +f 7 5 3 +f 3 8 7 +f 7 6 5 +f 8 6 7 +f 10 12 9 +f 13 10 9 +f 9 12 11 +f 11 13 9 +f 10 16 12 +f 14 10 13 +f 14 16 10 +f 12 16 11 +f 15 13 11 +f 11 16 15 +f 15 14 13 +f 16 14 15 +f 18 20 17 +f 21 18 17 +f 17 20 19 +f 19 21 17 +f 18 24 20 +f 22 18 21 +f 22 24 18 +f 20 24 19 +f 23 21 19 +f 19 24 23 +f 23 22 21 +f 24 22 23 +f 26 28 25 +f 29 26 25 +f 25 28 27 +f 27 29 25 +f 26 32 28 +f 30 26 29 +f 30 32 26 +f 28 32 27 +f 31 29 27 +f 27 32 31 +f 31 30 29 +f 32 30 31 +f 34 36 33 +f 37 34 33 +f 33 36 35 +f 35 37 33 +f 34 40 36 +f 38 34 37 +f 38 40 34 +f 36 40 35 +f 39 37 35 +f 35 40 39 +f 39 38 37 +f 40 38 39 +f 42 44 41 +f 45 42 41 +f 41 44 43 +f 43 45 41 +f 42 48 44 +f 46 42 45 +f 46 48 42 +f 44 48 43 +f 47 45 43 +f 43 48 47 +f 47 46 45 +f 48 46 47 +f 50 52 49 +f 53 50 49 +f 49 52 51 +f 51 53 49 +f 50 56 52 +f 54 50 53 +f 54 56 50 +f 52 56 51 +f 55 53 51 +f 51 56 55 +f 55 54 53 +f 56 54 55 +f 58 60 57 +f 61 58 57 +f 57 60 59 +f 59 61 57 +f 58 64 60 +f 62 58 61 +f 62 64 58 +f 60 64 59 +f 63 61 59 +f 59 64 63 +f 63 62 61 +f 64 62 63 + diff --git a/assets/expansion_batch04/t3_analytical/leco_onh836/meshes/leco_onh836__drop_actuator_mount.mtl b/assets/expansion_batch04/t3_analytical/leco_onh836/meshes/leco_onh836__drop_actuator_mount.mtl new file mode 100644 index 0000000000000000000000000000000000000000..794d5a3e5131e7a748fc06fe2d37883ff5caa1df --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/leco_onh836/meshes/leco_onh836__drop_actuator_mount.mtl @@ -0,0 +1,6 @@ +newmtl leco_onh836__drop_actuator_mount +Kd 0.6000 0.6400 0.6800 +Ka 0 0 0 +Ks 0.05 0.05 0.05 +Ns 20 +d 1 diff --git a/assets/expansion_batch04/t3_analytical/leco_onh836/meshes/leco_onh836__drop_actuator_mount.obj b/assets/expansion_batch04/t3_analytical/leco_onh836/meshes/leco_onh836__drop_actuator_mount.obj new file mode 100644 index 0000000000000000000000000000000000000000..c83a405a456689e977dd75490082ff8801151783 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/leco_onh836/meshes/leco_onh836__drop_actuator_mount.obj @@ -0,0 +1,24 @@ +mtllib leco_onh836__drop_actuator_mount.mtl +usemtl leco_onh836__drop_actuator_mount +# https://github.com/mikedh/trimesh +v -0.02350000 -0.02000000 -0.01200000 +v -0.02350000 -0.02000000 0.01200000 +v -0.02350000 0.02000000 -0.01200000 +v -0.02350000 0.02000000 0.01200000 +v 0.02350000 -0.02000000 -0.01200000 +v 0.02350000 -0.02000000 0.01200000 +v 0.02350000 0.02000000 -0.01200000 +v 0.02350000 0.02000000 0.01200000 +f 2 4 1 +f 5 2 1 +f 1 4 3 +f 3 5 1 +f 2 8 4 +f 6 2 5 +f 6 8 2 +f 4 8 3 +f 7 5 3 +f 3 8 7 +f 7 6 5 +f 8 6 7 + diff --git a/assets/expansion_batch04/t3_analytical/leco_onh836/meshes/leco_onh836__drop_gate.mtl b/assets/expansion_batch04/t3_analytical/leco_onh836/meshes/leco_onh836__drop_gate.mtl new file mode 100644 index 0000000000000000000000000000000000000000..c3fe6f1a07195304f2d9d0609bd51f59c48cdc6b --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/leco_onh836/meshes/leco_onh836__drop_gate.mtl @@ -0,0 +1,6 @@ +newmtl leco_onh836__drop_gate +Kd 0.4300 0.4600 0.4800 +Ka 0 0 0 +Ks 0.05 0.05 0.05 +Ns 20 +d 1 diff --git a/assets/expansion_batch04/t3_analytical/leco_onh836/meshes/leco_onh836__drop_gate.obj b/assets/expansion_batch04/t3_analytical/leco_onh836/meshes/leco_onh836__drop_gate.obj new file mode 100644 index 0000000000000000000000000000000000000000..df86245e597b58f0fb843da4db6149f4858c890d --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/leco_onh836/meshes/leco_onh836__drop_gate.obj @@ -0,0 +1,24 @@ +mtllib leco_onh836__drop_gate.mtl +usemtl leco_onh836__drop_gate +# https://github.com/mikedh/trimesh +v -0.02500000 -0.02500000 -0.00200000 +v -0.02500000 -0.02500000 0.00200000 +v -0.02500000 0.02500000 -0.00200000 +v -0.02500000 0.02500000 0.00200000 +v 0.02500000 -0.02500000 -0.00200000 +v 0.02500000 -0.02500000 0.00200000 +v 0.02500000 0.02500000 -0.00200000 +v 0.02500000 0.02500000 0.00200000 +f 2 4 1 +f 5 2 1 +f 1 4 3 +f 3 5 1 +f 2 8 4 +f 6 2 5 +f 6 8 2 +f 4 8 3 +f 7 5 3 +f 3 8 7 +f 7 6 5 +f 8 6 7 + diff --git a/assets/expansion_batch04/t3_analytical/leco_onh836/meshes/leco_onh836__drop_gate_guides.mtl b/assets/expansion_batch04/t3_analytical/leco_onh836/meshes/leco_onh836__drop_gate_guides.mtl new file mode 100644 index 0000000000000000000000000000000000000000..e1f385aa4d647f7d53090386aa08cca01e7bf257 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/leco_onh836/meshes/leco_onh836__drop_gate_guides.mtl @@ -0,0 +1,6 @@ +newmtl leco_onh836__drop_gate_guides +Kd 0.6000 0.6400 0.6800 +Ka 0 0 0 +Ks 0.05 0.05 0.05 +Ns 20 +d 1 diff --git a/assets/expansion_batch04/t3_analytical/leco_onh836/meshes/leco_onh836__drop_gate_guides.obj b/assets/expansion_batch04/t3_analytical/leco_onh836/meshes/leco_onh836__drop_gate_guides.obj new file mode 100644 index 0000000000000000000000000000000000000000..8db3efe4206c06263b0269489c5015ca0398bd39 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/leco_onh836/meshes/leco_onh836__drop_gate_guides.obj @@ -0,0 +1,84 @@ +mtllib leco_onh836__drop_gate_guides.mtl +usemtl leco_onh836__drop_gate_guides +# https://github.com/mikedh/trimesh +v 0.15900000 -0.25700000 0.69550000 +v 0.15900000 -0.25700000 0.70050000 +v 0.15900000 -0.14500000 0.69550000 +v 0.15900000 -0.14500000 0.70050000 +v 0.16700000 -0.25700000 0.69550000 +v 0.16700000 -0.25700000 0.70050000 +v 0.16700000 -0.14500000 0.69550000 +v 0.16700000 -0.14500000 0.70050000 +v 0.21700000 -0.25700000 0.69550000 +v 0.21700000 -0.25700000 0.70050000 +v 0.21700000 -0.14500000 0.69550000 +v 0.21700000 -0.14500000 0.70050000 +v 0.22500000 -0.25700000 0.69550000 +v 0.22500000 -0.25700000 0.70050000 +v 0.22500000 -0.14500000 0.69550000 +v 0.22500000 -0.14500000 0.70050000 +v 0.15750000 -0.25700000 0.69800000 +v 0.15750000 -0.25700000 0.71000000 +v 0.15750000 -0.14500000 0.69800000 +v 0.15750000 -0.14500000 0.71000000 +v 0.16250000 -0.25700000 0.69800000 +v 0.16250000 -0.25700000 0.71000000 +v 0.16250000 -0.14500000 0.69800000 +v 0.16250000 -0.14500000 0.71000000 +v 0.22150000 -0.25700000 0.69800000 +v 0.22150000 -0.25700000 0.71000000 +v 0.22150000 -0.14500000 0.69800000 +v 0.22150000 -0.14500000 0.71000000 +v 0.22650000 -0.25700000 0.69800000 +v 0.22650000 -0.25700000 0.71000000 +v 0.22650000 -0.14500000 0.69800000 +v 0.22650000 -0.14500000 0.71000000 +f 2 4 1 +f 5 2 1 +f 1 4 3 +f 3 5 1 +f 2 8 4 +f 6 2 5 +f 6 8 2 +f 4 8 3 +f 7 5 3 +f 3 8 7 +f 7 6 5 +f 8 6 7 +f 10 12 9 +f 13 10 9 +f 9 12 11 +f 11 13 9 +f 10 16 12 +f 14 10 13 +f 14 16 10 +f 12 16 11 +f 15 13 11 +f 11 16 15 +f 15 14 13 +f 16 14 15 +f 18 20 17 +f 21 18 17 +f 17 20 19 +f 19 21 17 +f 18 24 20 +f 22 18 21 +f 22 24 18 +f 20 24 19 +f 23 21 19 +f 19 24 23 +f 23 22 21 +f 24 22 23 +f 26 28 25 +f 29 26 25 +f 25 28 27 +f 27 29 25 +f 26 32 28 +f 30 26 29 +f 30 32 26 +f 28 32 27 +f 31 29 27 +f 27 32 31 +f 31 30 29 +f 32 30 31 + diff --git a/assets/expansion_batch04/t3_analytical/leco_onh836/meshes/leco_onh836__drop_pushrod.mtl b/assets/expansion_batch04/t3_analytical/leco_onh836/meshes/leco_onh836__drop_pushrod.mtl new file mode 100644 index 0000000000000000000000000000000000000000..5253fee909f5cea00c407cb04185b8f346def902 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/leco_onh836/meshes/leco_onh836__drop_pushrod.mtl @@ -0,0 +1,6 @@ +newmtl leco_onh836__drop_pushrod +Kd 0.6000 0.6400 0.6800 +Ka 0 0 0 +Ks 0.05 0.05 0.05 +Ns 20 +d 1 diff --git a/assets/expansion_batch04/t3_analytical/leco_onh836/meshes/leco_onh836__drop_pushrod.obj b/assets/expansion_batch04/t3_analytical/leco_onh836/meshes/leco_onh836__drop_pushrod.obj new file mode 100644 index 0000000000000000000000000000000000000000..c3b4c8b43704ef25378620986507a6497856ecd7 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/leco_onh836/meshes/leco_onh836__drop_pushrod.obj @@ -0,0 +1,294 @@ +mtllib leco_onh836__drop_pushrod.mtl +usemtl leco_onh836__drop_pushrod +# https://github.com/mikedh/trimesh +v 0.00000000 0.04750000 -0.00000000 +v 0.00300000 0.04750000 -0.00000000 +v 0.00300000 -0.04750000 0.00000000 +v 0.00000000 -0.04750000 0.00000000 +v 0.00297433 0.04750000 0.00039158 +v 0.00297433 -0.04750000 0.00039158 +v 0.00289778 0.04750000 0.00077646 +v 0.00289778 -0.04750000 0.00077646 +v 0.00277164 0.04750000 0.00114805 +v 0.00277164 -0.04750000 0.00114805 +v 0.00259808 0.04750000 0.00150000 +v 0.00259808 -0.04750000 0.00150000 +v 0.00238006 0.04750000 0.00182628 +v 0.00238006 -0.04750000 0.00182628 +v 0.00212132 0.04750000 0.00212132 +v 0.00212132 -0.04750000 0.00212132 +v 0.00182628 0.04750000 0.00238006 +v 0.00182628 -0.04750000 0.00238006 +v 0.00150000 0.04750000 0.00259808 +v 0.00150000 -0.04750000 0.00259808 +v 0.00114805 0.04750000 0.00277164 +v 0.00114805 -0.04750000 0.00277164 +v 0.00077646 0.04750000 0.00289778 +v 0.00077646 -0.04750000 0.00289778 +v 0.00039158 0.04750000 0.00297433 +v 0.00039158 -0.04750000 0.00297433 +v 0.00000000 0.04750000 0.00300000 +v 0.00000000 -0.04750000 0.00300000 +v -0.00039158 0.04750000 0.00297433 +v -0.00039158 -0.04750000 0.00297433 +v -0.00077646 0.04750000 0.00289778 +v -0.00077646 -0.04750000 0.00289778 +v -0.00114805 0.04750000 0.00277164 +v -0.00114805 -0.04750000 0.00277164 +v -0.00150000 0.04750000 0.00259808 +v -0.00150000 -0.04750000 0.00259808 +v -0.00182628 0.04750000 0.00238006 +v -0.00182628 -0.04750000 0.00238006 +v -0.00212132 0.04750000 0.00212132 +v -0.00212132 -0.04750000 0.00212132 +v -0.00238006 0.04750000 0.00182628 +v -0.00238006 -0.04750000 0.00182628 +v -0.00259808 0.04750000 0.00150000 +v -0.00259808 -0.04750000 0.00150000 +v -0.00277164 0.04750000 0.00114805 +v -0.00277164 -0.04750000 0.00114805 +v -0.00289778 0.04750000 0.00077646 +v -0.00289778 -0.04750000 0.00077646 +v -0.00297433 0.04750000 0.00039158 +v -0.00297433 -0.04750000 0.00039158 +v -0.00300000 0.04750000 -0.00000000 +v -0.00300000 -0.04750000 0.00000000 +v -0.00297433 0.04750000 -0.00039158 +v -0.00297433 -0.04750000 -0.00039158 +v -0.00289778 0.04750000 -0.00077646 +v -0.00289778 -0.04750000 -0.00077646 +v -0.00277164 0.04750000 -0.00114805 +v -0.00277164 -0.04750000 -0.00114805 +v -0.00259808 0.04750000 -0.00150000 +v -0.00259808 -0.04750000 -0.00150000 +v -0.00238006 0.04750000 -0.00182628 +v -0.00238006 -0.04750000 -0.00182628 +v -0.00212132 0.04750000 -0.00212132 +v -0.00212132 -0.04750000 -0.00212132 +v -0.00182628 0.04750000 -0.00238006 +v -0.00182628 -0.04750000 -0.00238006 +v -0.00150000 0.04750000 -0.00259808 +v -0.00150000 -0.04750000 -0.00259808 +v -0.00114805 0.04750000 -0.00277164 +v -0.00114805 -0.04750000 -0.00277164 +v -0.00077646 0.04750000 -0.00289778 +v -0.00077646 -0.04750000 -0.00289778 +v -0.00039158 0.04750000 -0.00297433 +v -0.00039158 -0.04750000 -0.00297433 +v -0.00000000 0.04750000 -0.00300000 +v -0.00000000 -0.04750000 -0.00300000 +v 0.00039158 0.04750000 -0.00297433 +v 0.00039158 -0.04750000 -0.00297433 +v 0.00077646 0.04750000 -0.00289778 +v 0.00077646 -0.04750000 -0.00289778 +v 0.00114805 0.04750000 -0.00277164 +v 0.00114805 -0.04750000 -0.00277164 +v 0.00150000 0.04750000 -0.00259808 +v 0.00150000 -0.04750000 -0.00259808 +v 0.00182628 0.04750000 -0.00238006 +v 0.00182628 -0.04750000 -0.00238006 +v 0.00212132 0.04750000 -0.00212132 +v 0.00212132 -0.04750000 -0.00212132 +v 0.00238006 0.04750000 -0.00182628 +v 0.00238006 -0.04750000 -0.00182628 +v 0.00259808 0.04750000 -0.00150000 +v 0.00259808 -0.04750000 -0.00150000 +v 0.00277164 0.04750000 -0.00114805 +v 0.00277164 -0.04750000 -0.00114805 +v 0.00289778 0.04750000 -0.00077646 +v 0.00289778 -0.04750000 -0.00077646 +v 0.00297433 0.04750000 -0.00039158 +v 0.00297433 -0.04750000 -0.00039158 +f 2 1 5 +f 2 5 3 +f 3 5 6 +f 3 6 4 +f 5 1 7 +f 5 7 6 +f 6 7 8 +f 6 8 4 +f 7 1 9 +f 7 9 8 +f 8 9 10 +f 8 10 4 +f 9 1 11 +f 9 11 10 +f 10 11 12 +f 10 12 4 +f 11 1 13 +f 11 13 12 +f 12 13 14 +f 12 14 4 +f 13 1 15 +f 13 15 14 +f 14 15 16 +f 14 16 4 +f 15 1 17 +f 15 17 16 +f 16 17 18 +f 16 18 4 +f 17 1 19 +f 17 19 18 +f 18 19 20 +f 18 20 4 +f 19 1 21 +f 19 21 20 +f 20 21 22 +f 20 22 4 +f 21 1 23 +f 21 23 22 +f 22 23 24 +f 22 24 4 +f 23 1 25 +f 23 25 24 +f 24 25 26 +f 24 26 4 +f 25 1 27 +f 25 27 26 +f 26 27 28 +f 26 28 4 +f 27 1 29 +f 27 29 28 +f 28 29 30 +f 28 30 4 +f 29 1 31 +f 29 31 30 +f 30 31 32 +f 30 32 4 +f 31 1 33 +f 31 33 32 +f 32 33 34 +f 32 34 4 +f 33 1 35 +f 33 35 34 +f 34 35 36 +f 34 36 4 +f 35 1 37 +f 35 37 36 +f 36 37 38 +f 36 38 4 +f 37 1 39 +f 37 39 38 +f 38 39 40 +f 38 40 4 +f 39 1 41 +f 39 41 40 +f 40 41 42 +f 40 42 4 +f 41 1 43 +f 41 43 42 +f 42 43 44 +f 42 44 4 +f 43 1 45 +f 43 45 44 +f 44 45 46 +f 44 46 4 +f 45 1 47 +f 45 47 46 +f 46 47 48 +f 46 48 4 +f 47 1 49 +f 47 49 48 +f 48 49 50 +f 48 50 4 +f 49 1 51 +f 49 51 50 +f 50 51 52 +f 50 52 4 +f 51 1 53 +f 51 53 52 +f 52 53 54 +f 52 54 4 +f 53 1 55 +f 53 55 54 +f 54 55 56 +f 54 56 4 +f 55 1 57 +f 55 57 56 +f 56 57 58 +f 56 58 4 +f 57 1 59 +f 57 59 58 +f 58 59 60 +f 58 60 4 +f 59 1 61 +f 59 61 60 +f 60 61 62 +f 60 62 4 +f 61 1 63 +f 61 63 62 +f 62 63 64 +f 62 64 4 +f 63 1 65 +f 63 65 64 +f 64 65 66 +f 64 66 4 +f 65 1 67 +f 65 67 66 +f 66 67 68 +f 66 68 4 +f 67 1 69 +f 67 69 68 +f 68 69 70 +f 68 70 4 +f 69 1 71 +f 69 71 70 +f 70 71 72 +f 70 72 4 +f 71 1 73 +f 71 73 72 +f 72 73 74 +f 72 74 4 +f 73 1 75 +f 73 75 74 +f 74 75 76 +f 74 76 4 +f 75 1 77 +f 75 77 76 +f 76 77 78 +f 76 78 4 +f 77 1 79 +f 77 79 78 +f 78 79 80 +f 78 80 4 +f 79 1 81 +f 79 81 80 +f 80 81 82 +f 80 82 4 +f 81 1 83 +f 81 83 82 +f 82 83 84 +f 82 84 4 +f 83 1 85 +f 83 85 84 +f 84 85 86 +f 84 86 4 +f 85 1 87 +f 85 87 86 +f 86 87 88 +f 86 88 4 +f 87 1 89 +f 87 89 88 +f 88 89 90 +f 88 90 4 +f 89 1 91 +f 89 91 90 +f 90 91 92 +f 90 92 4 +f 91 1 93 +f 91 93 92 +f 92 93 94 +f 92 94 4 +f 93 1 95 +f 93 95 94 +f 94 95 96 +f 94 96 4 +f 95 1 97 +f 95 97 96 +f 96 97 98 +f 96 98 4 +f 97 1 2 +f 97 2 98 +f 98 2 3 +f 98 3 4 + diff --git a/assets/expansion_batch04/t3_analytical/leco_onh836/meshes/leco_onh836__electrode_actuator.mtl b/assets/expansion_batch04/t3_analytical/leco_onh836/meshes/leco_onh836__electrode_actuator.mtl new file mode 100644 index 0000000000000000000000000000000000000000..9f3067e58053e3ae2302ac0b3145083ec4c6e8b1 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/leco_onh836/meshes/leco_onh836__electrode_actuator.mtl @@ -0,0 +1,6 @@ +newmtl leco_onh836__electrode_actuator +Kd 0.6000 0.6400 0.6800 +Ka 0 0 0 +Ks 0.05 0.05 0.05 +Ns 20 +d 1 diff --git a/assets/expansion_batch04/t3_analytical/leco_onh836/meshes/leco_onh836__electrode_actuator.obj b/assets/expansion_batch04/t3_analytical/leco_onh836/meshes/leco_onh836__electrode_actuator.obj new file mode 100644 index 0000000000000000000000000000000000000000..aeeb3a8a780d777ee529754af13eda2962048602 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/leco_onh836/meshes/leco_onh836__electrode_actuator.obj @@ -0,0 +1,772 @@ +mtllib leco_onh836__electrode_actuator.mtl +usemtl leco_onh836__electrode_actuator +# https://github.com/mikedh/trimesh +v 0.01850000 0.00000000 -0.07250000 +v 0.02900000 0.00000000 -0.07250000 +v 0.02900000 0.00000000 0.07250000 +v 0.01850000 0.00000000 0.07250000 +v 0.01841092 0.00181332 -0.07250000 +v 0.02886036 0.00284250 -0.07250000 +v 0.02886036 0.00284250 0.07250000 +v 0.01841092 0.00181332 0.07250000 +v 0.01814453 0.00360917 -0.07250000 +v 0.02844277 0.00565762 -0.07250000 +v 0.02844277 0.00565762 0.07250000 +v 0.01814453 0.00360917 0.07250000 +v 0.01770340 0.00537027 -0.07250000 +v 0.02775127 0.00841826 -0.07250000 +v 0.02775127 0.00841826 0.07250000 +v 0.01770340 0.00537027 0.07250000 +v 0.01709177 0.00707964 -0.07250000 +v 0.02679251 0.01109782 -0.07250000 +v 0.02679251 0.01109782 0.07250000 +v 0.01709177 0.00707964 0.07250000 +v 0.01631554 0.00872084 -0.07250000 +v 0.02557572 0.01367051 -0.07250000 +v 0.02557572 0.01367051 0.07250000 +v 0.01631554 0.00872084 0.07250000 +v 0.01538219 0.01027805 -0.07250000 +v 0.02411262 0.01611154 -0.07250000 +v 0.02411262 0.01611154 0.07250000 +v 0.01538219 0.01027805 0.07250000 +v 0.01430069 0.01173628 -0.07250000 +v 0.02241730 0.01839741 -0.07250000 +v 0.02241730 0.01839741 0.07250000 +v 0.01430069 0.01173628 0.07250000 +v 0.01308148 0.01308148 -0.07250000 +v 0.02050610 0.02050610 -0.07250000 +v 0.02050610 0.02050610 0.07250000 +v 0.01308148 0.01308148 0.07250000 +v 0.01173628 0.01430069 -0.07250000 +v 0.01839741 0.02241730 -0.07250000 +v 0.01839741 0.02241730 0.07250000 +v 0.01173628 0.01430069 0.07250000 +v 0.01027805 0.01538219 -0.07250000 +v 0.01611154 0.02411262 -0.07250000 +v 0.01611154 0.02411262 0.07250000 +v 0.01027805 0.01538219 0.07250000 +v 0.00872084 0.01631554 -0.07250000 +v 0.01367051 0.02557572 -0.07250000 +v 0.01367051 0.02557572 0.07250000 +v 0.00872084 0.01631554 0.07250000 +v 0.00707964 0.01709177 -0.07250000 +v 0.01109782 0.02679251 -0.07250000 +v 0.01109782 0.02679251 0.07250000 +v 0.00707964 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0000000000000000000000000000000000000000..704596cdd2d829a9aec6c23ef3b588734c1f2ab5 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/leco_onh836/meshes/leco_onh836__electrode_actuator_foot.mtl @@ -0,0 +1,6 @@ +newmtl leco_onh836__electrode_actuator_foot +Kd 0.6000 0.6400 0.6800 +Ka 0 0 0 +Ks 0.05 0.05 0.05 +Ns 20 +d 1 diff --git a/assets/expansion_batch04/t3_analytical/leco_onh836/meshes/leco_onh836__electrode_actuator_foot.obj b/assets/expansion_batch04/t3_analytical/leco_onh836/meshes/leco_onh836__electrode_actuator_foot.obj new file mode 100644 index 0000000000000000000000000000000000000000..86bd52d88514e95725374a178083c23b9054734e --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/leco_onh836/meshes/leco_onh836__electrode_actuator_foot.obj @@ -0,0 +1,24 @@ +mtllib leco_onh836__electrode_actuator_foot.mtl +usemtl leco_onh836__electrode_actuator_foot +# https://github.com/mikedh/trimesh +v -0.04200000 -0.04400000 -0.04125000 +v -0.04200000 -0.04400000 0.04125000 +v -0.04200000 0.04400000 -0.04125000 +v -0.04200000 0.04400000 0.04125000 +v 0.04200000 -0.04400000 -0.04125000 +v 0.04200000 -0.04400000 0.04125000 +v 0.04200000 0.04400000 -0.04125000 +v 0.04200000 0.04400000 0.04125000 +f 2 4 1 +f 5 2 1 +f 1 4 3 +f 3 5 1 +f 2 8 4 +f 6 2 5 +f 6 8 2 +f 4 8 3 +f 7 5 3 +f 3 8 7 +f 7 6 5 +f 8 6 7 + diff --git a/assets/expansion_batch04/t3_analytical/leco_onh836/meshes/leco_onh836__electrode_bolt_0.mtl b/assets/expansion_batch04/t3_analytical/leco_onh836/meshes/leco_onh836__electrode_bolt_0.mtl new file mode 100644 index 0000000000000000000000000000000000000000..efd034c6ea87240791346d45d9e8bc5671bff71e --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/leco_onh836/meshes/leco_onh836__electrode_bolt_0.mtl @@ -0,0 +1,6 @@ +newmtl leco_onh836__electrode_bolt_0 +Kd 0.3200 0.3500 0.3600 +Ka 0 0 0 +Ks 0.05 0.05 0.05 +Ns 20 +d 1 diff --git a/assets/expansion_batch04/t3_analytical/leco_onh836/meshes/leco_onh836__electrode_bolt_0.obj b/assets/expansion_batch04/t3_analytical/leco_onh836/meshes/leco_onh836__electrode_bolt_0.obj new file mode 100644 index 0000000000000000000000000000000000000000..c26fcdabfe05139539d02188fbcb4bd0f9ce5192 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/leco_onh836/meshes/leco_onh836__electrode_bolt_0.obj @@ -0,0 +1,42 @@ +mtllib leco_onh836__electrode_bolt_0.mtl +usemtl leco_onh836__electrode_bolt_0 +# https://github.com/mikedh/trimesh +v 0.00000000 0.00000000 -0.00150000 +v 0.00400000 0.00000000 -0.00150000 +v 0.00400000 0.00000000 0.00150000 +v 0.00000000 0.00000000 0.00150000 +v 0.00200000 0.00346410 -0.00150000 +v 0.00200000 0.00346410 0.00150000 +v -0.00200000 0.00346410 -0.00150000 +v -0.00200000 0.00346410 0.00150000 +v -0.00400000 0.00000000 -0.00150000 +v -0.00400000 0.00000000 0.00150000 +v -0.00200000 -0.00346410 -0.00150000 +v -0.00200000 -0.00346410 0.00150000 +v 0.00200000 -0.00346410 -0.00150000 +v 0.00200000 -0.00346410 0.00150000 +f 2 1 5 +f 2 5 3 +f 3 5 6 +f 3 6 4 +f 5 1 7 +f 5 7 6 +f 6 7 8 +f 6 8 4 +f 7 1 9 +f 7 9 8 +f 8 9 10 +f 8 10 4 +f 9 1 11 +f 9 11 10 +f 10 11 12 +f 10 12 4 +f 11 1 13 +f 11 13 12 +f 12 13 14 +f 12 14 4 +f 13 1 2 +f 13 2 14 +f 14 2 3 +f 14 3 4 + diff --git a/assets/expansion_batch04/t3_analytical/leco_onh836/meshes/leco_onh836__electrode_bolt_1.mtl b/assets/expansion_batch04/t3_analytical/leco_onh836/meshes/leco_onh836__electrode_bolt_1.mtl new file mode 100644 index 0000000000000000000000000000000000000000..77ac891f27c86aa6f1f5af53548cae09a5bab4b3 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/leco_onh836/meshes/leco_onh836__electrode_bolt_1.mtl @@ -0,0 +1,6 @@ +newmtl leco_onh836__electrode_bolt_1 +Kd 0.3200 0.3500 0.3600 +Ka 0 0 0 +Ks 0.05 0.05 0.05 +Ns 20 +d 1 diff --git a/assets/expansion_batch04/t3_analytical/leco_onh836/meshes/leco_onh836__electrode_bolt_1.obj b/assets/expansion_batch04/t3_analytical/leco_onh836/meshes/leco_onh836__electrode_bolt_1.obj new file mode 100644 index 0000000000000000000000000000000000000000..7de56acab1ed81dd5d7e27384ca51f0d687d7bff --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/leco_onh836/meshes/leco_onh836__electrode_bolt_1.obj @@ -0,0 +1,42 @@ +mtllib leco_onh836__electrode_bolt_1.mtl +usemtl leco_onh836__electrode_bolt_1 +# https://github.com/mikedh/trimesh +v 0.00000000 0.00000000 -0.00150000 +v 0.00400000 0.00000000 -0.00150000 +v 0.00400000 0.00000000 0.00150000 +v 0.00000000 0.00000000 0.00150000 +v 0.00200000 0.00346410 -0.00150000 +v 0.00200000 0.00346410 0.00150000 +v -0.00200000 0.00346410 -0.00150000 +v -0.00200000 0.00346410 0.00150000 +v -0.00400000 0.00000000 -0.00150000 +v -0.00400000 0.00000000 0.00150000 +v -0.00200000 -0.00346410 -0.00150000 +v -0.00200000 -0.00346410 0.00150000 +v 0.00200000 -0.00346410 -0.00150000 +v 0.00200000 -0.00346410 0.00150000 +f 2 1 5 +f 2 5 3 +f 3 5 6 +f 3 6 4 +f 5 1 7 +f 5 7 6 +f 6 7 8 +f 6 8 4 +f 7 1 9 +f 7 9 8 +f 8 9 10 +f 8 10 4 +f 9 1 11 +f 9 11 10 +f 10 11 12 +f 10 12 4 +f 11 1 13 +f 11 13 12 +f 12 13 14 +f 12 14 4 +f 13 1 2 +f 13 2 14 +f 14 2 3 +f 14 3 4 + diff --git a/assets/expansion_batch04/t3_analytical/leco_onh836/meshes/leco_onh836__electrode_bolt_2.mtl b/assets/expansion_batch04/t3_analytical/leco_onh836/meshes/leco_onh836__electrode_bolt_2.mtl new file mode 100644 index 0000000000000000000000000000000000000000..4d0a7438e3f6b574434b4974e391221a7553f349 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/leco_onh836/meshes/leco_onh836__electrode_bolt_2.mtl @@ -0,0 +1,6 @@ +newmtl leco_onh836__electrode_bolt_2 +Kd 0.3200 0.3500 0.3600 +Ka 0 0 0 +Ks 0.05 0.05 0.05 +Ns 20 +d 1 diff --git a/assets/expansion_batch04/t3_analytical/leco_onh836/meshes/leco_onh836__electrode_bolt_2.obj b/assets/expansion_batch04/t3_analytical/leco_onh836/meshes/leco_onh836__electrode_bolt_2.obj new file mode 100644 index 0000000000000000000000000000000000000000..a5c8dad58f73c9926fa1b7555a379262f9729a30 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/leco_onh836/meshes/leco_onh836__electrode_bolt_2.obj @@ -0,0 +1,42 @@ +mtllib leco_onh836__electrode_bolt_2.mtl +usemtl leco_onh836__electrode_bolt_2 +# https://github.com/mikedh/trimesh +v 0.00000000 0.00000000 -0.00150000 +v 0.00400000 0.00000000 -0.00150000 +v 0.00400000 0.00000000 0.00150000 +v 0.00000000 0.00000000 0.00150000 +v 0.00200000 0.00346410 -0.00150000 +v 0.00200000 0.00346410 0.00150000 +v -0.00200000 0.00346410 -0.00150000 +v -0.00200000 0.00346410 0.00150000 +v -0.00400000 0.00000000 -0.00150000 +v -0.00400000 0.00000000 0.00150000 +v -0.00200000 -0.00346410 -0.00150000 +v -0.00200000 -0.00346410 0.00150000 +v 0.00200000 -0.00346410 -0.00150000 +v 0.00200000 -0.00346410 0.00150000 +f 2 1 5 +f 2 5 3 +f 3 5 6 +f 3 6 4 +f 5 1 7 +f 5 7 6 +f 6 7 8 +f 6 8 4 +f 7 1 9 +f 7 9 8 +f 8 9 10 +f 8 10 4 +f 9 1 11 +f 9 11 10 +f 10 11 12 +f 10 12 4 +f 11 1 13 +f 11 13 12 +f 12 13 14 +f 12 14 4 +f 13 1 2 +f 13 2 14 +f 14 2 3 +f 14 3 4 + diff --git a/assets/expansion_batch04/t3_analytical/leco_onh836/meshes/leco_onh836__electrode_bolt_3.mtl b/assets/expansion_batch04/t3_analytical/leco_onh836/meshes/leco_onh836__electrode_bolt_3.mtl new file mode 100644 index 0000000000000000000000000000000000000000..67e0cfa476a46e44bec8a608fc317db3bdb6968e --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/leco_onh836/meshes/leco_onh836__electrode_bolt_3.mtl @@ -0,0 +1,6 @@ +newmtl leco_onh836__electrode_bolt_3 +Kd 0.3200 0.3500 0.3600 +Ka 0 0 0 +Ks 0.05 0.05 0.05 +Ns 20 +d 1 diff --git a/assets/expansion_batch04/t3_analytical/leco_onh836/meshes/leco_onh836__electrode_bolt_3.obj b/assets/expansion_batch04/t3_analytical/leco_onh836/meshes/leco_onh836__electrode_bolt_3.obj new file mode 100644 index 0000000000000000000000000000000000000000..69627a35afdc763e2693d900c4673f878fa8288c --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/leco_onh836/meshes/leco_onh836__electrode_bolt_3.obj @@ -0,0 +1,42 @@ +mtllib leco_onh836__electrode_bolt_3.mtl +usemtl leco_onh836__electrode_bolt_3 +# https://github.com/mikedh/trimesh +v 0.00000000 0.00000000 -0.00150000 +v 0.00400000 0.00000000 -0.00150000 +v 0.00400000 0.00000000 0.00150000 +v 0.00000000 0.00000000 0.00150000 +v 0.00200000 0.00346410 -0.00150000 +v 0.00200000 0.00346410 0.00150000 +v -0.00200000 0.00346410 -0.00150000 +v -0.00200000 0.00346410 0.00150000 +v -0.00400000 0.00000000 -0.00150000 +v -0.00400000 0.00000000 0.00150000 +v -0.00200000 -0.00346410 -0.00150000 +v -0.00200000 -0.00346410 0.00150000 +v 0.00200000 -0.00346410 -0.00150000 +v 0.00200000 -0.00346410 0.00150000 +f 2 1 5 +f 2 5 3 +f 3 5 6 +f 3 6 4 +f 5 1 7 +f 5 7 6 +f 6 7 8 +f 6 8 4 +f 7 1 9 +f 7 9 8 +f 8 9 10 +f 8 10 4 +f 9 1 11 +f 9 11 10 +f 10 11 12 +f 10 12 4 +f 11 1 13 +f 11 13 12 +f 12 13 14 +f 12 14 4 +f 13 1 2 +f 13 2 14 +f 14 2 3 +f 14 3 4 + diff --git a/assets/expansion_batch04/t3_analytical/leco_onh836/meshes/leco_onh836__electrode_bolt_4.mtl b/assets/expansion_batch04/t3_analytical/leco_onh836/meshes/leco_onh836__electrode_bolt_4.mtl new file mode 100644 index 0000000000000000000000000000000000000000..33e87bf214854e94d672fa404a1158debcca6f42 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/leco_onh836/meshes/leco_onh836__electrode_bolt_4.mtl @@ -0,0 +1,6 @@ +newmtl leco_onh836__electrode_bolt_4 +Kd 0.3200 0.3500 0.3600 +Ka 0 0 0 +Ks 0.05 0.05 0.05 +Ns 20 +d 1 diff --git a/assets/expansion_batch04/t3_analytical/leco_onh836/meshes/leco_onh836__electrode_bolt_4.obj b/assets/expansion_batch04/t3_analytical/leco_onh836/meshes/leco_onh836__electrode_bolt_4.obj new file mode 100644 index 0000000000000000000000000000000000000000..a51ef8cb95fcaa0a5d23b7c8f0a1709d966c1428 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/leco_onh836/meshes/leco_onh836__electrode_bolt_4.obj @@ -0,0 +1,42 @@ +mtllib leco_onh836__electrode_bolt_4.mtl +usemtl leco_onh836__electrode_bolt_4 +# https://github.com/mikedh/trimesh +v 0.00000000 0.00000000 -0.00150000 +v 0.00400000 0.00000000 -0.00150000 +v 0.00400000 0.00000000 0.00150000 +v 0.00000000 0.00000000 0.00150000 +v 0.00200000 0.00346410 -0.00150000 +v 0.00200000 0.00346410 0.00150000 +v -0.00200000 0.00346410 -0.00150000 +v -0.00200000 0.00346410 0.00150000 +v -0.00400000 0.00000000 -0.00150000 +v -0.00400000 0.00000000 0.00150000 +v -0.00200000 -0.00346410 -0.00150000 +v -0.00200000 -0.00346410 0.00150000 +v 0.00200000 -0.00346410 -0.00150000 +v 0.00200000 -0.00346410 0.00150000 +f 2 1 5 +f 2 5 3 +f 3 5 6 +f 3 6 4 +f 5 1 7 +f 5 7 6 +f 6 7 8 +f 6 8 4 +f 7 1 9 +f 7 9 8 +f 8 9 10 +f 8 10 4 +f 9 1 11 +f 9 11 10 +f 10 11 12 +f 10 12 4 +f 11 1 13 +f 11 13 12 +f 12 13 14 +f 12 14 4 +f 13 1 2 +f 13 2 14 +f 14 2 3 +f 14 3 4 + diff --git a/assets/expansion_batch04/t3_analytical/leco_onh836/meshes/leco_onh836__electrode_bolt_5.mtl b/assets/expansion_batch04/t3_analytical/leco_onh836/meshes/leco_onh836__electrode_bolt_5.mtl new file mode 100644 index 0000000000000000000000000000000000000000..6424c69d79bf925fcf4a62a8563db708adb51d87 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/leco_onh836/meshes/leco_onh836__electrode_bolt_5.mtl @@ -0,0 +1,6 @@ +newmtl leco_onh836__electrode_bolt_5 +Kd 0.3200 0.3500 0.3600 +Ka 0 0 0 +Ks 0.05 0.05 0.05 +Ns 20 +d 1 diff --git a/assets/expansion_batch04/t3_analytical/leco_onh836/meshes/leco_onh836__electrode_bolt_5.obj b/assets/expansion_batch04/t3_analytical/leco_onh836/meshes/leco_onh836__electrode_bolt_5.obj new file mode 100644 index 0000000000000000000000000000000000000000..2105ab973f9fdc5d7a686fe82b0099b5c629b329 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/leco_onh836/meshes/leco_onh836__electrode_bolt_5.obj @@ -0,0 +1,42 @@ +mtllib leco_onh836__electrode_bolt_5.mtl +usemtl leco_onh836__electrode_bolt_5 +# https://github.com/mikedh/trimesh +v 0.00000000 0.00000000 -0.00150000 +v 0.00400000 0.00000000 -0.00150000 +v 0.00400000 0.00000000 0.00150000 +v 0.00000000 0.00000000 0.00150000 +v 0.00200000 0.00346410 -0.00150000 +v 0.00200000 0.00346410 0.00150000 +v -0.00200000 0.00346410 -0.00150000 +v -0.00200000 0.00346410 0.00150000 +v -0.00400000 0.00000000 -0.00150000 +v -0.00400000 0.00000000 0.00150000 +v -0.00200000 -0.00346410 -0.00150000 +v -0.00200000 -0.00346410 0.00150000 +v 0.00200000 -0.00346410 -0.00150000 +v 0.00200000 -0.00346410 0.00150000 +f 2 1 5 +f 2 5 3 +f 3 5 6 +f 3 6 4 +f 5 1 7 +f 5 7 6 +f 6 7 8 +f 6 8 4 +f 7 1 9 +f 7 9 8 +f 8 9 10 +f 8 10 4 +f 9 1 11 +f 9 11 10 +f 10 11 12 +f 10 12 4 +f 11 1 13 +f 11 13 12 +f 12 13 14 +f 12 14 4 +f 13 1 2 +f 13 2 14 +f 14 2 3 +f 14 3 4 + diff --git a/assets/expansion_batch04/t3_analytical/leco_onh836/meshes/leco_onh836__electrode_slide_guide.mtl b/assets/expansion_batch04/t3_analytical/leco_onh836/meshes/leco_onh836__electrode_slide_guide.mtl new file mode 100644 index 0000000000000000000000000000000000000000..c5218ac89285f13d827c65f989cc0462dacde6d3 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/leco_onh836/meshes/leco_onh836__electrode_slide_guide.mtl @@ -0,0 +1,6 @@ +newmtl leco_onh836__electrode_slide_guide +Kd 0.1200 0.1300 0.1400 +Ka 0 0 0 +Ks 0.05 0.05 0.05 +Ns 20 +d 1 diff --git a/assets/expansion_batch04/t3_analytical/leco_onh836/meshes/leco_onh836__electrode_slide_guide.obj b/assets/expansion_batch04/t3_analytical/leco_onh836/meshes/leco_onh836__electrode_slide_guide.obj new file mode 100644 index 0000000000000000000000000000000000000000..bc22ddc67f1eda6bf21fb1c0abf91e430648aba5 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/leco_onh836/meshes/leco_onh836__electrode_slide_guide.obj @@ -0,0 +1,772 @@ +mtllib leco_onh836__electrode_slide_guide.mtl +usemtl leco_onh836__electrode_slide_guide +# https://github.com/mikedh/trimesh +v 0.06250000 0.00000000 -0.00600000 +v 0.07000000 0.00000000 -0.00600000 +v 0.07000000 0.00000000 0.00600000 +v 0.06250000 0.00000000 0.00600000 +v 0.06219905 0.00612607 -0.00600000 +v 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b/assets/expansion_batch04/t3_analytical/leco_onh836/meshes/leco_onh836__flow_compensation_manifold.obj new file mode 100644 index 0000000000000000000000000000000000000000..074c39e88ec8f1d2f1a2452552f250b7701bed87 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/leco_onh836/meshes/leco_onh836__flow_compensation_manifold.obj @@ -0,0 +1,24 @@ +mtllib leco_onh836__flow_compensation_manifold.mtl +usemtl leco_onh836__flow_compensation_manifold +# https://github.com/mikedh/trimesh +v -0.14500000 -0.04700000 -0.01750000 +v -0.14500000 -0.04700000 0.01750000 +v -0.14500000 0.04700000 -0.01750000 +v -0.14500000 0.04700000 0.01750000 +v 0.14500000 -0.04700000 -0.01750000 +v 0.14500000 -0.04700000 0.01750000 +v 0.14500000 0.04700000 -0.01750000 +v 0.14500000 0.04700000 0.01750000 +f 2 4 1 +f 5 2 1 +f 1 4 3 +f 3 5 1 +f 2 8 4 +f 6 2 5 +f 6 8 2 +f 4 8 3 +f 7 5 3 +f 3 8 7 +f 7 6 5 +f 8 6 7 + diff --git a/assets/expansion_batch04/t3_analytical/leco_onh836/meshes/leco_onh836__furnace_back_wall.mtl b/assets/expansion_batch04/t3_analytical/leco_onh836/meshes/leco_onh836__furnace_back_wall.mtl new file mode 100644 index 0000000000000000000000000000000000000000..155ddef3ad191b3ab65ccc40da89a027271215bb --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/leco_onh836/meshes/leco_onh836__furnace_back_wall.mtl @@ -0,0 +1,6 @@ +newmtl leco_onh836__furnace_back_wall +Kd 0.6900 0.7200 0.7400 +Ka 0 0 0 +Ks 0.05 0.05 0.05 +Ns 20 +d 1 diff --git a/assets/expansion_batch04/t3_analytical/leco_onh836/meshes/leco_onh836__furnace_back_wall.obj b/assets/expansion_batch04/t3_analytical/leco_onh836/meshes/leco_onh836__furnace_back_wall.obj new file mode 100644 index 0000000000000000000000000000000000000000..dd70ad8e58adec1abeb137da8ed47122ab12596c --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/leco_onh836/meshes/leco_onh836__furnace_back_wall.obj @@ -0,0 +1,24 @@ +mtllib leco_onh836__furnace_back_wall.mtl +usemtl leco_onh836__furnace_back_wall +# https://github.com/mikedh/trimesh +v -0.13000000 -0.00300000 -0.10600000 +v -0.13000000 -0.00300000 0.10600000 +v -0.13000000 0.00300000 -0.10600000 +v -0.13000000 0.00300000 0.10600000 +v 0.13000000 -0.00300000 -0.10600000 +v 0.13000000 -0.00300000 0.10600000 +v 0.13000000 0.00300000 -0.10600000 +v 0.13000000 0.00300000 0.10600000 +f 2 4 1 +f 5 2 1 +f 1 4 3 +f 3 5 1 +f 2 8 4 +f 6 2 5 +f 6 8 2 +f 4 8 3 +f 7 5 3 +f 3 8 7 +f 7 6 5 +f 8 6 7 + diff --git a/assets/expansion_batch04/t3_analytical/leco_onh836/meshes/leco_onh836__furnace_deck.mtl b/assets/expansion_batch04/t3_analytical/leco_onh836/meshes/leco_onh836__furnace_deck.mtl new file mode 100644 index 0000000000000000000000000000000000000000..3b2aee80c718814d1687785b8f760f06fc3c2824 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/leco_onh836/meshes/leco_onh836__furnace_deck.mtl @@ -0,0 +1,6 @@ +newmtl leco_onh836__furnace_deck +Kd 0.6000 0.6400 0.6800 +Ka 0 0 0 +Ks 0.05 0.05 0.05 +Ns 20 +d 1 diff --git a/assets/expansion_batch04/t3_analytical/leco_onh836/meshes/leco_onh836__furnace_deck.obj b/assets/expansion_batch04/t3_analytical/leco_onh836/meshes/leco_onh836__furnace_deck.obj new file mode 100644 index 0000000000000000000000000000000000000000..1580ade4298bfa8de1c1714b66d3377d982cfe26 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/leco_onh836/meshes/leco_onh836__furnace_deck.obj @@ -0,0 +1,412 @@ +mtllib leco_onh836__furnace_deck.mtl +usemtl leco_onh836__furnace_deck +# https://github.com/mikedh/trimesh +v -0.14700000 -0.18250000 -0.00300000 +v 0.14700000 -0.18250000 -0.00300000 +v 0.14700000 0.18250000 -0.00300000 +v -0.14700000 0.18250000 -0.00300000 +v 0.05800000 -0.03250000 -0.00300000 +v 0.05767256 -0.02583483 -0.00300000 +v 0.05669340 -0.01923386 -0.00300000 +v 0.05507194 -0.01276064 -0.00300000 +v 0.05282381 -0.00647753 -0.00300000 +v 0.04997065 -0.00044502 -0.00300000 +v 0.04653993 0.00527878 -0.00300000 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b/assets/expansion_batch04/t3_analytical/leco_onh836/meshes/leco_onh836__furnace_gas_outlet.obj @@ -0,0 +1,772 @@ +mtllib leco_onh836__furnace_gas_outlet.mtl +usemtl leco_onh836__furnace_gas_outlet +# https://github.com/mikedh/trimesh +v 0.00400000 0.00000000 -0.02000000 +v 0.00600000 0.00000000 -0.02000000 +v 0.00600000 0.00000000 0.02000000 +v 0.00400000 0.00000000 0.02000000 +v 0.00398074 0.00039207 -0.02000000 +v 0.00597111 0.00058810 -0.02000000 +v 0.00597111 0.00058810 0.02000000 +v 0.00398074 0.00039207 0.02000000 +v 0.00392314 0.00078036 -0.02000000 +v 0.00588471 0.00117054 -0.02000000 +v 0.00588471 0.00117054 0.02000000 +v 0.00392314 0.00078036 0.02000000 +v 0.00382776 0.00116114 -0.02000000 +v 0.00574164 0.00174171 -0.02000000 +v 0.00574164 0.00174171 0.02000000 +v 0.00382776 0.00116114 0.02000000 +v 0.00369552 0.00153073 -0.02000000 +v 0.00554328 0.00229610 -0.02000000 +v 0.00554328 0.00229610 0.02000000 +v 0.00369552 0.00153073 0.02000000 +v 0.00352769 0.00188559 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0000000000000000000000000000000000000000..61d4541348ac36b81c594cbc26a3f6c5486928e6 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/leco_onh836/meshes/leco_onh836__furnace_rear_base_roof.mtl @@ -0,0 +1,6 @@ +newmtl leco_onh836__furnace_rear_base_roof +Kd 0.8600 0.8700 0.8600 +Ka 0 0 0 +Ks 0.05 0.05 0.05 +Ns 20 +d 1 diff --git a/assets/expansion_batch04/t3_analytical/leco_onh836/meshes/leco_onh836__furnace_rear_base_roof.obj b/assets/expansion_batch04/t3_analytical/leco_onh836/meshes/leco_onh836__furnace_rear_base_roof.obj new file mode 100644 index 0000000000000000000000000000000000000000..552682054902cf349a32946e8f8ff9fef69c14ff --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/leco_onh836/meshes/leco_onh836__furnace_rear_base_roof.obj @@ -0,0 +1,24 @@ +mtllib leco_onh836__furnace_rear_base_roof.mtl +usemtl leco_onh836__furnace_rear_base_roof +# https://github.com/mikedh/trimesh +v -0.14700000 -0.18400000 -0.00300000 +v -0.14700000 -0.18400000 0.00300000 +v -0.14700000 0.18400000 -0.00300000 +v -0.14700000 0.18400000 0.00300000 +v 0.14700000 -0.18400000 -0.00300000 +v 0.14700000 -0.18400000 0.00300000 +v 0.14700000 0.18400000 -0.00300000 +v 0.14700000 0.18400000 0.00300000 +f 2 4 1 +f 5 2 1 +f 1 4 3 +f 3 5 1 +f 2 8 4 +f 6 2 5 +f 6 8 2 +f 4 8 3 +f 7 5 3 +f 3 8 7 +f 7 6 5 +f 8 6 7 + diff --git a/assets/expansion_batch04/t3_analytical/leco_onh836/meshes/leco_onh836__furnace_to_co.mtl b/assets/expansion_batch04/t3_analytical/leco_onh836/meshes/leco_onh836__furnace_to_co.mtl new file mode 100644 index 0000000000000000000000000000000000000000..7fa66d7bd2a82816bdbbd12d60e4f1764d631a7f --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/leco_onh836/meshes/leco_onh836__furnace_to_co.mtl @@ -0,0 +1,6 @@ +newmtl leco_onh836__furnace_to_co +Kd 0.7400 0.7600 0.7400 +Ka 0 0 0 +Ks 0.05 0.05 0.05 +Ns 20 +d 1 diff --git a/assets/expansion_batch04/t3_analytical/leco_onh836/meshes/leco_onh836__furnace_to_co.obj b/assets/expansion_batch04/t3_analytical/leco_onh836/meshes/leco_onh836__furnace_to_co.obj new file mode 100644 index 0000000000000000000000000000000000000000..41dba35cf12b12efabf074f459df708923b3bc3e --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/leco_onh836/meshes/leco_onh836__furnace_to_co.obj @@ -0,0 +1,1348 @@ +mtllib leco_onh836__furnace_to_co.mtl +usemtl leco_onh836__furnace_to_co +# https://github.com/mikedh/trimesh +v 0.14500000 -0.22000000 0.56200000 +v 0.14500000 -0.22097545 0.56209607 +v 0.14500000 -0.22191342 0.56238060 +v 0.14500000 -0.22277785 0.56284265 +v 0.14500000 -0.22353553 0.56346447 +v 0.14500000 -0.22415735 0.56422215 +v 0.14500000 -0.22461940 0.56508658 +v 0.14500000 -0.22490393 0.56602455 +v 0.14500000 -0.22500000 0.56700000 +v 0.14500000 -0.22490393 0.56797545 +v 0.14500000 -0.22461940 0.56891342 +v 0.14500000 -0.22415735 0.56977785 +v 0.14500000 -0.22353553 0.57053553 +v 0.14500000 -0.22277785 0.57115735 +v 0.14500000 -0.22191342 0.57161940 +v 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leco_onh836__hydrogen_detector_optical_heads +Kd 0.1200 0.1300 0.1400 +Ka 0 0 0 +Ks 0.05 0.05 0.05 +Ns 20 +d 1 diff --git a/assets/expansion_batch04/t3_analytical/leco_onh836/meshes/leco_onh836__hydrogen_detector_optical_heads.obj b/assets/expansion_batch04/t3_analytical/leco_onh836/meshes/leco_onh836__hydrogen_detector_optical_heads.obj new file mode 100644 index 0000000000000000000000000000000000000000..6a135388289144dee832fad3fa0348f46f0a9710 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/leco_onh836/meshes/leco_onh836__hydrogen_detector_optical_heads.obj @@ -0,0 +1,44 @@ +mtllib leco_onh836__hydrogen_detector_optical_heads.mtl +usemtl leco_onh836__hydrogen_detector_optical_heads +# https://github.com/mikedh/trimesh +v -0.07250000 -0.14450000 0.49600000 +v -0.07250000 -0.14450000 0.53200000 +v -0.07250000 -0.11150000 0.49600000 +v -0.07250000 -0.11150000 0.53200000 +v -0.06150000 -0.14450000 0.49600000 +v -0.06150000 -0.14450000 0.53200000 +v -0.06150000 -0.11150000 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b/assets/expansion_batch04/t3_analytical/leco_onh836/meshes/leco_onh836__impulse_furnace.mtl @@ -0,0 +1,6 @@ +newmtl leco_onh836__impulse_furnace +Kd 0.3600 0.3800 0.3900 +Ka 0 0 0 +Ks 0.05 0.05 0.05 +Ns 20 +d 1 diff --git a/assets/expansion_batch04/t3_analytical/leco_onh836/meshes/leco_onh836__impulse_furnace.obj b/assets/expansion_batch04/t3_analytical/leco_onh836/meshes/leco_onh836__impulse_furnace.obj new file mode 100644 index 0000000000000000000000000000000000000000..a480d0bd06a8ccd861e76b277123e2aa6993676f --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/leco_onh836/meshes/leco_onh836__impulse_furnace.obj @@ -0,0 +1,2496 @@ +mtllib leco_onh836__impulse_furnace.mtl +usemtl leco_onh836__impulse_furnace +# https://github.com/mikedh/trimesh +v 0.16231482 -0.22433477 0.56000000 +v 0.16272874 -0.22657216 0.56000000 +v 0.16331103 -0.22877173 0.56000000 +v 0.16405836 -0.23092085 0.56000000 +v 0.16496642 -0.23300715 0.56000000 +v 0.16603000 -0.23501862 0.56000000 +v 0.16724296 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0000000000000000000000000000000000000000..22d38a08b28bb0878dfa0c9ab8c0de76cba9326b --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/leco_onh836/meshes/leco_onh836__incoming_purifier_support.mtl @@ -0,0 +1,6 @@ +newmtl leco_onh836__incoming_purifier_support +Kd 0.6000 0.6400 0.6800 +Ka 0 0 0 +Ks 0.05 0.05 0.05 +Ns 20 +d 1 diff --git a/assets/expansion_batch04/t3_analytical/leco_onh836/meshes/leco_onh836__incoming_purifier_support.obj b/assets/expansion_batch04/t3_analytical/leco_onh836/meshes/leco_onh836__incoming_purifier_support.obj new file mode 100644 index 0000000000000000000000000000000000000000..c3ee72d7872dcba9c2b3ca27f86a0d979eb68f98 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/leco_onh836/meshes/leco_onh836__incoming_purifier_support.obj @@ -0,0 +1,44 @@ +mtllib leco_onh836__incoming_purifier_support.mtl +usemtl leco_onh836__incoming_purifier_support +# https://github.com/mikedh/trimesh +v -0.33050000 0.32150000 0.43800000 +v -0.33050000 0.32150000 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index 0000000000000000000000000000000000000000..0d6e1cabfb6ff5cfd3b48f7070f35f72fc8fa870 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/leco_onh836/meshes/leco_onh836__incoming_scrubber.mtl @@ -0,0 +1,6 @@ +newmtl leco_onh836__incoming_scrubber +Kd 0.5900 0.6600 0.6700 +Ka 0 0 0 +Ks 0.05 0.05 0.05 +Ns 20 +d 0.4 diff --git a/assets/expansion_batch04/t3_analytical/leco_onh836/meshes/leco_onh836__incoming_scrubber.obj b/assets/expansion_batch04/t3_analytical/leco_onh836/meshes/leco_onh836__incoming_scrubber.obj new file mode 100644 index 0000000000000000000000000000000000000000..b65f7dca9b576055f845967bfa1150d959ac5169 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/leco_onh836/meshes/leco_onh836__incoming_scrubber.obj @@ -0,0 +1,772 @@ +mtllib leco_onh836__incoming_scrubber.mtl +usemtl leco_onh836__incoming_scrubber +# https://github.com/mikedh/trimesh +v 0.01400000 0.00000000 -0.11000000 +v 0.01900000 0.00000000 -0.11000000 +v 0.01900000 0.00000000 0.11000000 +v 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a/assets/expansion_batch04/t3_analytical/leco_onh836/meshes/leco_onh836__left_front_panel.obj b/assets/expansion_batch04/t3_analytical/leco_onh836/meshes/leco_onh836__left_front_panel.obj new file mode 100644 index 0000000000000000000000000000000000000000..d89cd2b98da9cd0a1792eb50aed502628b754b09 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/leco_onh836/meshes/leco_onh836__left_front_panel.obj @@ -0,0 +1,24 @@ +mtllib leco_onh836__left_front_panel.mtl +usemtl leco_onh836__left_front_panel +# https://github.com/mikedh/trimesh +v -0.20100000 -0.00250000 -0.38600000 +v -0.20100000 -0.00250000 0.38600000 +v -0.20100000 0.00250000 -0.38600000 +v -0.20100000 0.00250000 0.38600000 +v 0.20100000 -0.00250000 -0.38600000 +v 0.20100000 -0.00250000 0.38600000 +v 0.20100000 0.00250000 -0.38600000 +v 0.20100000 0.00250000 0.38600000 +f 2 4 1 +f 5 2 1 +f 1 4 3 +f 3 5 1 +f 2 8 4 +f 6 2 5 +f 6 8 2 +f 4 8 3 +f 7 5 3 +f 3 8 7 +f 7 6 5 +f 8 6 7 + diff --git a/assets/expansion_batch04/t3_analytical/leco_onh836/meshes/leco_onh836__left_front_seams.mtl b/assets/expansion_batch04/t3_analytical/leco_onh836/meshes/leco_onh836__left_front_seams.mtl new file mode 100644 index 0000000000000000000000000000000000000000..c94fbd27017f18b580f2777a4f238d30df3c8e76 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/leco_onh836/meshes/leco_onh836__left_front_seams.mtl @@ -0,0 +1,6 @@ +newmtl leco_onh836__left_front_seams +Kd 0.6100 0.6300 0.6200 +Ka 0 0 0 +Ks 0.05 0.05 0.05 +Ns 20 +d 1 diff --git a/assets/expansion_batch04/t3_analytical/leco_onh836/meshes/leco_onh836__left_front_seams.obj b/assets/expansion_batch04/t3_analytical/leco_onh836/meshes/leco_onh836__left_front_seams.obj new file mode 100644 index 0000000000000000000000000000000000000000..b3ea8daf440ae2478eed1290aa531817bbf12685 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/leco_onh836/meshes/leco_onh836__left_front_seams.obj @@ -0,0 +1,64 @@ +mtllib leco_onh836__left_front_seams.mtl +usemtl leco_onh836__left_front_seams +# https://github.com/mikedh/trimesh +v -0.33300000 -0.38000000 0.06700000 +v -0.33300000 -0.38000000 0.82300000 +v -0.33300000 -0.37920000 0.06700000 +v -0.33300000 -0.37920000 0.82300000 +v -0.33100000 -0.38000000 0.06700000 +v -0.33100000 -0.38000000 0.82300000 +v -0.33100000 -0.37920000 0.06700000 +v -0.33100000 -0.37920000 0.82300000 +v -0.34750000 -0.38000000 0.07250000 +v -0.34750000 -0.38000000 0.07550000 +v -0.34750000 -0.37900000 0.07250000 +v -0.34750000 -0.37900000 0.07550000 +v 0.05150000 -0.38000000 0.07250000 +v 0.05150000 -0.38000000 0.07550000 +v 0.05150000 -0.37900000 0.07250000 +v 0.05150000 -0.37900000 0.07550000 +v -0.35000000 -0.37700000 0.06350000 +v -0.35000000 -0.37700000 0.07650000 +v -0.35000000 -0.36900000 0.06350000 +v -0.35000000 -0.36900000 0.07650000 +v 0.05000000 -0.37700000 0.06350000 +v 0.05000000 -0.37700000 0.07650000 +v 0.05000000 -0.36900000 0.06350000 +v 0.05000000 -0.36900000 0.07650000 +f 2 4 1 +f 5 2 1 +f 1 4 3 +f 3 5 1 +f 2 8 4 +f 6 2 5 +f 6 8 2 +f 4 8 3 +f 7 5 3 +f 3 8 7 +f 7 6 5 +f 8 6 7 +f 10 12 9 +f 13 10 9 +f 9 12 11 +f 11 13 9 +f 10 16 12 +f 14 10 13 +f 14 16 10 +f 12 16 11 +f 15 13 11 +f 11 16 15 +f 15 14 13 +f 16 14 15 +f 18 20 17 +f 21 18 17 +f 17 20 19 +f 19 21 17 +f 18 24 20 +f 22 18 21 +f 22 24 18 +f 20 24 19 +f 23 21 19 +f 19 24 23 +f 23 22 21 +f 24 22 23 + diff --git a/assets/expansion_batch04/t3_analytical/leco_onh836/meshes/leco_onh836__left_side_panel.mtl b/assets/expansion_batch04/t3_analytical/leco_onh836/meshes/leco_onh836__left_side_panel.mtl new file mode 100644 index 0000000000000000000000000000000000000000..c7cb598461e30e98913c354cf3ee935bc914a13f --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/leco_onh836/meshes/leco_onh836__left_side_panel.mtl @@ -0,0 +1,6 @@ +newmtl leco_onh836__left_side_panel +Kd 0.8600 0.8700 0.8600 +Ka 0 0 0 +Ks 0.05 0.05 0.05 +Ns 20 +d 1 diff --git a/assets/expansion_batch04/t3_analytical/leco_onh836/meshes/leco_onh836__left_side_panel.obj b/assets/expansion_batch04/t3_analytical/leco_onh836/meshes/leco_onh836__left_side_panel.obj new file mode 100644 index 0000000000000000000000000000000000000000..dfd4ef94dc6a2379abf68c7fca3cb1bf3002d191 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/leco_onh836/meshes/leco_onh836__left_side_panel.obj @@ -0,0 +1,24 @@ +mtllib leco_onh836__left_side_panel.mtl +usemtl leco_onh836__left_side_panel +# https://github.com/mikedh/trimesh +v -0.00250000 -0.37500000 -0.38600000 +v -0.00250000 -0.37500000 0.38600000 +v -0.00250000 0.37500000 -0.38600000 +v -0.00250000 0.37500000 0.38600000 +v 0.00250000 -0.37500000 -0.38600000 +v 0.00250000 -0.37500000 0.38600000 +v 0.00250000 0.37500000 -0.38600000 +v 0.00250000 0.37500000 0.38600000 +f 2 4 1 +f 5 2 1 +f 1 4 3 +f 3 5 1 +f 2 8 4 +f 6 2 5 +f 6 8 2 +f 4 8 3 +f 7 5 3 +f 3 8 7 +f 7 6 5 +f 8 6 7 + diff --git a/assets/expansion_batch04/t3_analytical/leco_onh836/meshes/leco_onh836__left_top_panel.mtl b/assets/expansion_batch04/t3_analytical/leco_onh836/meshes/leco_onh836__left_top_panel.mtl new file mode 100644 index 0000000000000000000000000000000000000000..c026537739007862c04f842ef031d67f8de62cc9 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/leco_onh836/meshes/leco_onh836__left_top_panel.mtl @@ -0,0 +1,6 @@ +newmtl leco_onh836__left_top_panel +Kd 0.8600 0.8700 0.8600 +Ka 0 0 0 +Ks 0.05 0.05 0.05 +Ns 20 +d 1 diff --git a/assets/expansion_batch04/t3_analytical/leco_onh836/meshes/leco_onh836__left_top_panel.obj b/assets/expansion_batch04/t3_analytical/leco_onh836/meshes/leco_onh836__left_top_panel.obj new file mode 100644 index 0000000000000000000000000000000000000000..c3f50ba403df9e663df6bcd29abb86aa449130af --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/leco_onh836/meshes/leco_onh836__left_top_panel.obj @@ -0,0 +1,24 @@ +mtllib leco_onh836__left_top_panel.mtl +usemtl leco_onh836__left_top_panel +# https://github.com/mikedh/trimesh +v -0.20100000 -0.38000000 -0.00250000 +v -0.20100000 -0.38000000 0.00250000 +v -0.20100000 0.38000000 -0.00250000 +v -0.20100000 0.38000000 0.00250000 +v 0.20100000 -0.38000000 -0.00250000 +v 0.20100000 -0.38000000 0.00250000 +v 0.20100000 0.38000000 -0.00250000 +v 0.20100000 0.38000000 0.00250000 +f 2 4 1 +f 5 2 1 +f 1 4 3 +f 3 5 1 +f 2 8 4 +f 6 2 5 +f 6 8 2 +f 4 8 3 +f 7 5 3 +f 3 8 7 +f 7 6 5 +f 8 6 7 + diff --git a/assets/expansion_batch04/t3_analytical/leco_onh836/meshes/leco_onh836__light_ring_mount.mtl b/assets/expansion_batch04/t3_analytical/leco_onh836/meshes/leco_onh836__light_ring_mount.mtl new file mode 100644 index 0000000000000000000000000000000000000000..6621203a9805e316a7e19eca7659d4acf73d1152 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/leco_onh836/meshes/leco_onh836__light_ring_mount.mtl @@ -0,0 +1,6 @@ +newmtl leco_onh836__light_ring_mount +Kd 0.1200 0.1300 0.1400 +Ka 0 0 0 +Ks 0.05 0.05 0.05 +Ns 20 +d 1 diff --git a/assets/expansion_batch04/t3_analytical/leco_onh836/meshes/leco_onh836__light_ring_mount.obj b/assets/expansion_batch04/t3_analytical/leco_onh836/meshes/leco_onh836__light_ring_mount.obj new file mode 100644 index 0000000000000000000000000000000000000000..572910af93a8d7b15692f8424addb20652adfee4 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/leco_onh836/meshes/leco_onh836__light_ring_mount.obj @@ -0,0 +1,44 @@ +mtllib leco_onh836__light_ring_mount.mtl +usemtl leco_onh836__light_ring_mount +# https://github.com/mikedh/trimesh +v 0.23350000 -0.17600000 0.55500000 +v 0.23350000 -0.17600000 0.56500000 +v 0.23350000 -0.08600000 0.55500000 +v 0.23350000 -0.08600000 0.56500000 +v 0.25050000 -0.17600000 0.55500000 +v 0.25050000 -0.17600000 0.56500000 +v 0.25050000 -0.08600000 0.55500000 +v 0.25050000 -0.08600000 0.56500000 +v 0.19200000 -0.09050000 0.55500000 +v 0.19200000 -0.09050000 0.56500000 +v 0.19200000 -0.06950000 0.55500000 +v 0.19200000 -0.06950000 0.56500000 +v 0.25200000 -0.09050000 0.55500000 +v 0.25200000 -0.09050000 0.56500000 +v 0.25200000 -0.06950000 0.55500000 +v 0.25200000 -0.06950000 0.56500000 +f 2 4 1 +f 5 2 1 +f 1 4 3 +f 3 5 1 +f 2 8 4 +f 6 2 5 +f 6 8 2 +f 4 8 3 +f 7 5 3 +f 3 8 7 +f 7 6 5 +f 8 6 7 +f 10 12 9 +f 13 10 9 +f 9 12 11 +f 11 13 9 +f 10 16 12 +f 14 10 13 +f 14 16 10 +f 12 16 11 +f 15 13 11 +f 11 16 15 +f 15 14 13 +f 16 14 15 + diff --git a/assets/expansion_batch04/t3_analytical/leco_onh836/meshes/leco_onh836__load_head_cover.mtl b/assets/expansion_batch04/t3_analytical/leco_onh836/meshes/leco_onh836__load_head_cover.mtl new file mode 100644 index 0000000000000000000000000000000000000000..71457507aa062dfd51453b24f4107f209a91b2c7 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/leco_onh836/meshes/leco_onh836__load_head_cover.mtl @@ -0,0 +1,6 @@ +newmtl leco_onh836__load_head_cover +Kd 0.8600 0.8700 0.8600 +Ka 0 0 0 +Ks 0.05 0.05 0.05 +Ns 20 +d 1 diff --git a/assets/expansion_batch04/t3_analytical/leco_onh836/meshes/leco_onh836__load_head_cover.obj b/assets/expansion_batch04/t3_analytical/leco_onh836/meshes/leco_onh836__load_head_cover.obj new file mode 100644 index 0000000000000000000000000000000000000000..6cf979aa1153ac25554c6b308e3cc48b7b53ddbd --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/leco_onh836/meshes/leco_onh836__load_head_cover.obj @@ -0,0 +1,8106 @@ +mtllib leco_onh836__load_head_cover.mtl +usemtl leco_onh836__load_head_cover +# https://github.com/mikedh/trimesh +v 0.14100000 -0.06782142 0.08500000 +v 0.14093835 -0.06708800 0.08656918 +v 0.14075377 -0.06637586 0.08812869 +v 0.14044740 -0.06568930 0.08966891 +v 0.14002113 -0.06503246 0.09118034 +v 0.13947759 -0.06440924 0.09265367 +v 0.13882013 -0.06382330 0.09407981 +v 0.13805280 -0.06327805 0.09544997 +v 0.13718034 -0.06277660 0.09675571 +v 0.13620812 -0.06232178 0.09798896 +v 0.13514214 -0.06191614 0.09914214 +v 0.13398896 -0.06156189 0.10020812 +v 0.13275571 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new file mode 100644 index 0000000000000000000000000000000000000000..55d05e0869b17528dd4b3bad6a361b46b449d518 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/leco_onh836/meshes/leco_onh836__loading_actuator_end.obj @@ -0,0 +1,294 @@ +mtllib leco_onh836__loading_actuator_end.mtl +usemtl leco_onh836__loading_actuator_end +# https://github.com/mikedh/trimesh +v 0.00000000 0.00300000 -0.00000000 +v 0.01300000 0.00300000 -0.00000000 +v 0.01300000 -0.00300000 0.00000000 +v 0.00000000 -0.00300000 0.00000000 +v 0.01288878 0.00300000 0.00169684 +v 0.01288878 -0.00300000 0.00169684 +v 0.01255704 0.00300000 0.00336465 +v 0.01255704 -0.00300000 0.00336465 +v 0.01201043 0.00300000 0.00497488 +v 0.01201043 -0.00300000 0.00497488 +v 0.01125833 0.00300000 0.00650000 +v 0.01125833 -0.00300000 0.00650000 +v 0.01031359 0.00300000 0.00791390 +v 0.01031359 -0.00300000 0.00791390 +v 0.00919239 0.00300000 0.00919239 +v 0.00919239 -0.00300000 0.00919239 +v 0.00791390 0.00300000 0.01031359 +v 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b/assets/expansion_batch04/t3_analytical/leco_onh836/meshes/leco_onh836__loading_actuator_mount.obj new file mode 100644 index 0000000000000000000000000000000000000000..1d0dda7abc8cc5d648c8b80fc9de134809562f94 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/leco_onh836/meshes/leco_onh836__loading_actuator_mount.obj @@ -0,0 +1,24 @@ +mtllib leco_onh836__loading_actuator_mount.mtl +usemtl leco_onh836__loading_actuator_mount +# https://github.com/mikedh/trimesh +v -0.02600000 -0.02050000 -0.09200000 +v -0.02600000 -0.02050000 0.09200000 +v -0.02600000 0.02050000 -0.09200000 +v -0.02600000 0.02050000 0.09200000 +v 0.02600000 -0.02050000 -0.09200000 +v 0.02600000 -0.02050000 0.09200000 +v 0.02600000 0.02050000 -0.09200000 +v 0.02600000 0.02050000 0.09200000 +f 2 4 1 +f 5 2 1 +f 1 4 3 +f 3 5 1 +f 2 8 4 +f 6 2 5 +f 6 8 2 +f 4 8 3 +f 7 5 3 +f 3 8 7 +f 7 6 5 +f 8 6 7 + diff --git a/assets/expansion_batch04/t3_analytical/leco_onh836/meshes/leco_onh836__loading_pushrod.mtl b/assets/expansion_batch04/t3_analytical/leco_onh836/meshes/leco_onh836__loading_pushrod.mtl new file mode 100644 index 0000000000000000000000000000000000000000..5421f7224e3fe5e087624d494a150820264c5fcf --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/leco_onh836/meshes/leco_onh836__loading_pushrod.mtl @@ -0,0 +1,6 @@ +newmtl leco_onh836__loading_pushrod +Kd 0.6000 0.6400 0.6800 +Ka 0 0 0 +Ks 0.05 0.05 0.05 +Ns 20 +d 1 diff --git a/assets/expansion_batch04/t3_analytical/leco_onh836/meshes/leco_onh836__loading_pushrod.obj b/assets/expansion_batch04/t3_analytical/leco_onh836/meshes/leco_onh836__loading_pushrod.obj new file mode 100644 index 0000000000000000000000000000000000000000..44a57f6677219dbffa8feac649a1e6d52b20c155 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/leco_onh836/meshes/leco_onh836__loading_pushrod.obj @@ -0,0 +1,294 @@ +mtllib leco_onh836__loading_pushrod.mtl +usemtl leco_onh836__loading_pushrod +# https://github.com/mikedh/trimesh +v 0.00000000 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b/assets/expansion_batch04/t3_analytical/leco_onh836/meshes/leco_onh836__loading_rail_stands.mtl new file mode 100644 index 0000000000000000000000000000000000000000..d1eaad3856b4cec0229b72b015ab23b8663efc98 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/leco_onh836/meshes/leco_onh836__loading_rail_stands.mtl @@ -0,0 +1,6 @@ +newmtl leco_onh836__loading_rail_stands +Kd 0.6000 0.6400 0.6800 +Ka 0 0 0 +Ks 0.05 0.05 0.05 +Ns 20 +d 1 diff --git a/assets/expansion_batch04/t3_analytical/leco_onh836/meshes/leco_onh836__loading_rail_stands.obj b/assets/expansion_batch04/t3_analytical/leco_onh836/meshes/leco_onh836__loading_rail_stands.obj new file mode 100644 index 0000000000000000000000000000000000000000..5db54916d1ab4b60ae8242e20bd409ed3616bb73 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/leco_onh836/meshes/leco_onh836__loading_rail_stands.obj @@ -0,0 +1,44 @@ +mtllib leco_onh836__loading_rail_stands.mtl +usemtl leco_onh836__loading_rail_stands +# 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100644 index 0000000000000000000000000000000000000000..1c783f381e45430785431c193feb6b225ea89f99 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/leco_onh836/meshes/leco_onh836__loading_slide_rails.obj @@ -0,0 +1,84 @@ +mtllib leco_onh836__loading_slide_rails.mtl +usemtl leco_onh836__loading_slide_rails +# https://github.com/mikedh/trimesh +v 0.13750000 -0.29400000 0.73000000 +v 0.13750000 -0.29400000 0.73800000 +v 0.13750000 -0.10000000 0.73000000 +v 0.13750000 -0.10000000 0.73800000 +v 0.14650000 -0.29400000 0.73000000 +v 0.14650000 -0.29400000 0.73800000 +v 0.14650000 -0.10000000 0.73000000 +v 0.14650000 -0.10000000 0.73800000 +v 0.23750000 -0.29400000 0.73000000 +v 0.23750000 -0.29400000 0.73800000 +v 0.23750000 -0.10000000 0.73000000 +v 0.23750000 -0.10000000 0.73800000 +v 0.24650000 -0.29400000 0.73000000 +v 0.24650000 -0.29400000 0.73800000 +v 0.24650000 -0.10000000 0.73000000 +v 0.24650000 -0.10000000 0.73800000 +v 0.13600000 -0.29400000 0.74200000 +v 0.13600000 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b/assets/expansion_batch04/t3_analytical/leco_onh836/meshes/leco_onh836__low_co2_detector.obj @@ -0,0 +1,772 @@ +mtllib leco_onh836__low_co2_detector.mtl +usemtl leco_onh836__low_co2_detector +# https://github.com/mikedh/trimesh +v 0.01300000 0.00000000 -0.06900000 +v 0.02100000 0.00000000 -0.06900000 +v 0.02100000 0.00000000 0.06900000 +v 0.01300000 0.00000000 0.06900000 +v 0.01293740 0.00127422 -0.06900000 +v 0.02089888 0.00205836 -0.06900000 +v 0.02089888 0.00205836 0.06900000 +v 0.01293740 0.00127422 0.06900000 +v 0.01275021 0.00253617 -0.06900000 +v 0.02059649 0.00409690 -0.06900000 +v 0.02059649 0.00409690 0.06900000 +v 0.01275021 0.00253617 0.06900000 +v 0.01244022 0.00377370 -0.06900000 +v 0.02009575 0.00609598 -0.06900000 +v 0.02009575 0.00609598 0.06900000 +v 0.01244022 0.00377370 0.06900000 +v 0.01201043 0.00497488 -0.06900000 +v 0.01940147 0.00803635 -0.06900000 +v 0.01940147 0.00803635 0.06900000 +v 0.01201043 0.00497488 0.06900000 +v 0.01146498 0.00612816 -0.06900000 +v 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b/assets/expansion_batch04/t3_analytical/leco_onh836/meshes/leco_onh836__observation_window.mtl new file mode 100644 index 0000000000000000000000000000000000000000..7a7fa134d663c26be47e8189974f01790de7e667 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/leco_onh836/meshes/leco_onh836__observation_window.mtl @@ -0,0 +1,6 @@ +newmtl leco_onh836__observation_window +Kd 0.4200 0.5000 0.5200 +Ka 0 0 0 +Ks 0.05 0.05 0.05 +Ns 20 +d 0.42 diff --git a/assets/expansion_batch04/t3_analytical/leco_onh836/meshes/leco_onh836__observation_window.obj b/assets/expansion_batch04/t3_analytical/leco_onh836/meshes/leco_onh836__observation_window.obj new file mode 100644 index 0000000000000000000000000000000000000000..81466f750ba3341dfc48432d5174fb72d9bcecac --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/leco_onh836/meshes/leco_onh836__observation_window.obj @@ -0,0 +1,294 @@ +mtllib leco_onh836__observation_window.mtl +usemtl leco_onh836__observation_window +# 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0000000000000000000000000000000000000000..86cbbc4c7e49a99581f47311665d832ff5013919 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/leco_onh836/meshes/leco_onh836__power_inlet.mtl @@ -0,0 +1,6 @@ +newmtl leco_onh836__power_inlet +Kd 0.1200 0.1300 0.1400 +Ka 0 0 0 +Ks 0.05 0.05 0.05 +Ns 20 +d 1 diff --git a/assets/expansion_batch04/t3_analytical/leco_onh836/meshes/leco_onh836__power_inlet.obj b/assets/expansion_batch04/t3_analytical/leco_onh836/meshes/leco_onh836__power_inlet.obj new file mode 100644 index 0000000000000000000000000000000000000000..39a91b00f9e4404e527a0f0ee38cf6946d671785 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/leco_onh836/meshes/leco_onh836__power_inlet.obj @@ -0,0 +1,184 @@ +mtllib leco_onh836__power_inlet.mtl +usemtl leco_onh836__power_inlet +# https://github.com/mikedh/trimesh +v -0.02200000 -0.00600000 -0.01150000 +v -0.02200000 -0.00600000 -0.00700000 +v -0.02200000 0.00000000 -0.01150000 +v -0.02200000 0.00000000 -0.00700000 +v 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26 32 28 +f 30 26 29 +f 30 32 26 +f 28 32 27 +f 31 29 27 +f 27 32 31 +f 31 30 29 +f 32 30 31 +f 34 36 33 +f 37 34 33 +f 33 36 35 +f 35 37 33 +f 34 40 36 +f 38 34 37 +f 38 40 34 +f 36 40 35 +f 39 37 35 +f 35 40 39 +f 39 38 37 +f 40 38 39 +f 42 44 41 +f 45 42 41 +f 41 44 43 +f 43 45 41 +f 42 48 44 +f 46 42 45 +f 46 48 42 +f 44 48 43 +f 47 45 43 +f 43 48 47 +f 47 46 45 +f 48 46 47 +f 50 52 49 +f 53 50 49 +f 49 52 51 +f 51 53 49 +f 50 56 52 +f 54 50 53 +f 54 56 50 +f 52 56 51 +f 55 53 51 +f 51 56 55 +f 55 54 53 +f 56 54 55 +f 58 60 57 +f 61 58 57 +f 57 60 59 +f 59 61 57 +f 58 64 60 +f 62 58 61 +f 62 64 58 +f 60 64 59 +f 63 61 59 +f 59 64 63 +f 63 62 61 +f 64 62 63 +f 66 68 65 +f 69 66 65 +f 65 68 67 +f 67 69 65 +f 66 72 68 +f 70 66 69 +f 70 72 66 +f 68 72 67 +f 71 69 67 +f 67 72 71 +f 71 70 69 +f 72 70 71 + diff --git a/assets/expansion_batch04/t3_analytical/leco_onh836/meshes/leco_onh836__right_lower_base.mtl b/assets/expansion_batch04/t3_analytical/leco_onh836/meshes/leco_onh836__right_lower_base.mtl new file mode 100644 index 0000000000000000000000000000000000000000..439ad45e891450080a9fd38307593c0dd7d8a082 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/leco_onh836/meshes/leco_onh836__right_lower_base.mtl @@ -0,0 +1,6 @@ +newmtl leco_onh836__right_lower_base +Kd 0.8600 0.8700 0.8600 +Ka 0 0 0 +Ks 0.05 0.05 0.05 +Ns 20 +d 1 diff --git a/assets/expansion_batch04/t3_analytical/leco_onh836/meshes/leco_onh836__right_lower_base.obj b/assets/expansion_batch04/t3_analytical/leco_onh836/meshes/leco_onh836__right_lower_base.obj new file mode 100644 index 0000000000000000000000000000000000000000..da06326619d7c994a762748d4d82768d12597e61 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/leco_onh836/meshes/leco_onh836__right_lower_base.obj @@ -0,0 +1,64 @@ +mtllib leco_onh836__right_lower_base.mtl +usemtl leco_onh836__right_lower_base +# https://github.com/mikedh/trimesh +v 0.05500000 -0.38000000 0.07000000 +v 0.05500000 -0.38000000 0.34000000 +v 0.05500000 -0.37500000 0.07000000 +v 0.05500000 -0.37500000 0.34000000 +v 0.34900000 -0.38000000 0.07000000 +v 0.34900000 -0.38000000 0.34000000 +v 0.34900000 -0.37500000 0.07000000 +v 0.34900000 -0.37500000 0.34000000 +v 0.35000000 -0.37200000 0.07000000 +v 0.35000000 -0.37200000 0.34000000 +v 0.35000000 0.37200000 0.07000000 +v 0.35000000 0.37200000 0.34000000 +v 0.35500000 -0.37200000 0.07000000 +v 0.35500000 -0.37200000 0.34000000 +v 0.35500000 0.37200000 0.07000000 +v 0.35500000 0.37200000 0.34000000 +v 0.05450000 0.37000000 0.07000000 +v 0.05450000 0.37000000 0.34000000 +v 0.05450000 0.37500000 0.07000000 +v 0.05450000 0.37500000 0.34000000 +v 0.34950000 0.37000000 0.07000000 +v 0.34950000 0.37000000 0.34000000 +v 0.34950000 0.37500000 0.07000000 +v 0.34950000 0.37500000 0.34000000 +f 2 4 1 +f 5 2 1 +f 1 4 3 +f 3 5 1 +f 2 8 4 +f 6 2 5 +f 6 8 2 +f 4 8 3 +f 7 5 3 +f 3 8 7 +f 7 6 5 +f 8 6 7 +f 10 12 9 +f 13 10 9 +f 9 12 11 +f 11 13 9 +f 10 16 12 +f 14 10 13 +f 14 16 10 +f 12 16 11 +f 15 13 11 +f 11 16 15 +f 15 14 13 +f 16 14 15 +f 18 20 17 +f 21 18 17 +f 17 20 19 +f 19 21 17 +f 18 24 20 +f 22 18 21 +f 22 24 18 +f 20 24 19 +f 23 21 19 +f 19 24 23 +f 23 22 21 +f 24 22 23 + diff --git a/assets/expansion_batch04/t3_analytical/leco_onh836/meshes/leco_onh836__right_mid_side_panel.mtl b/assets/expansion_batch04/t3_analytical/leco_onh836/meshes/leco_onh836__right_mid_side_panel.mtl new file mode 100644 index 0000000000000000000000000000000000000000..46abe6b5b1f62b7ddfd16ffd89096bb2a0f88883 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/leco_onh836/meshes/leco_onh836__right_mid_side_panel.mtl @@ -0,0 +1,6 @@ +newmtl leco_onh836__right_mid_side_panel +Kd 0.8600 0.8700 0.8600 +Ka 0 0 0 +Ks 0.05 0.05 0.05 +Ns 20 +d 1 diff --git a/assets/expansion_batch04/t3_analytical/leco_onh836/meshes/leco_onh836__right_mid_side_panel.obj b/assets/expansion_batch04/t3_analytical/leco_onh836/meshes/leco_onh836__right_mid_side_panel.obj new file mode 100644 index 0000000000000000000000000000000000000000..8200c19614c4351150b50bc5763edaeb985e0fc6 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/leco_onh836/meshes/leco_onh836__right_mid_side_panel.obj @@ -0,0 +1,24 @@ +mtllib leco_onh836__right_mid_side_panel.mtl +usemtl leco_onh836__right_mid_side_panel +# https://github.com/mikedh/trimesh +v -0.00250000 -0.22500000 -0.10750000 +v -0.00250000 -0.22500000 0.10750000 +v -0.00250000 0.22500000 -0.10750000 +v -0.00250000 0.22500000 0.10750000 +v 0.00250000 -0.22500000 -0.10750000 +v 0.00250000 -0.22500000 0.10750000 +v 0.00250000 0.22500000 -0.10750000 +v 0.00250000 0.22500000 0.10750000 +f 2 4 1 +f 5 2 1 +f 1 4 3 +f 3 5 1 +f 2 8 4 +f 6 2 5 +f 6 8 2 +f 4 8 3 +f 7 5 3 +f 3 8 7 +f 7 6 5 +f 8 6 7 + diff --git a/assets/expansion_batch04/t3_analytical/leco_onh836/meshes/leco_onh836__sample_chamber_lower_neck.mtl b/assets/expansion_batch04/t3_analytical/leco_onh836/meshes/leco_onh836__sample_chamber_lower_neck.mtl new file mode 100644 index 0000000000000000000000000000000000000000..c88d71e8af92b3d68be6425249774aa927167716 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/leco_onh836/meshes/leco_onh836__sample_chamber_lower_neck.mtl @@ -0,0 +1,6 @@ +newmtl leco_onh836__sample_chamber_lower_neck +Kd 0.6000 0.6400 0.6800 +Ka 0 0 0 +Ks 0.05 0.05 0.05 +Ns 20 +d 1 diff --git a/assets/expansion_batch04/t3_analytical/leco_onh836/meshes/leco_onh836__sample_chamber_lower_neck.obj b/assets/expansion_batch04/t3_analytical/leco_onh836/meshes/leco_onh836__sample_chamber_lower_neck.obj new file mode 100644 index 0000000000000000000000000000000000000000..dc58924546387e1c73d4c8c03f312a47816a7315 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/leco_onh836/meshes/leco_onh836__sample_chamber_lower_neck.obj @@ -0,0 +1,772 @@ +mtllib leco_onh836__sample_chamber_lower_neck.mtl +usemtl leco_onh836__sample_chamber_lower_neck +# https://github.com/mikedh/trimesh +v 0.00700000 0.00000000 -0.00350000 +v 0.01400000 0.00000000 -0.00350000 +v 0.01400000 0.00000000 0.00350000 +v 0.00700000 0.00000000 0.00350000 +v 0.00696629 0.00068612 -0.00350000 +v 0.01393259 0.00137224 -0.00350000 +v 0.01393259 0.00137224 0.00350000 +v 0.00696629 0.00068612 0.00350000 +v 0.00686550 0.00136563 -0.00350000 +v 0.01373099 0.00273126 -0.00350000 +v 0.01373099 0.00273126 0.00350000 +v 0.00686550 0.00136563 0.00350000 +v 0.00669858 0.00203199 -0.00350000 +v 0.01339716 0.00406399 -0.00350000 +v 0.01339716 0.00406399 0.00350000 +v 0.00669858 0.00203199 0.00350000 +v 0.00646716 0.00267878 -0.00350000 +v 0.01293431 0.00535757 -0.00350000 +v 0.01293431 0.00535757 0.00350000 +v 0.00646716 0.00267878 0.00350000 +v 0.00617345 0.00329978 -0.00350000 +v 0.01234690 0.00659955 -0.00350000 +v 0.01234690 0.00659955 0.00350000 +v 0.00617345 0.00329978 0.00350000 +v 0.00582029 0.00388899 -0.00350000 +v 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a/assets/expansion_batch04/t3_analytical/leco_onh836/meshes/leco_onh836__water_scrubber.mtl b/assets/expansion_batch04/t3_analytical/leco_onh836/meshes/leco_onh836__water_scrubber.mtl new file mode 100644 index 0000000000000000000000000000000000000000..ce72f5452f68d90d0c5954493a2dfccf51690605 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/leco_onh836/meshes/leco_onh836__water_scrubber.mtl @@ -0,0 +1,6 @@ +newmtl leco_onh836__water_scrubber +Kd 0.5900 0.6600 0.6600 +Ka 0 0 0 +Ks 0.05 0.05 0.05 +Ns 20 +d 0.4 diff --git a/assets/expansion_batch04/t3_analytical/leco_onh836/meshes/leco_onh836__water_scrubber.obj b/assets/expansion_batch04/t3_analytical/leco_onh836/meshes/leco_onh836__water_scrubber.obj new file mode 100644 index 0000000000000000000000000000000000000000..cd9c392fe5c8a02ca402cda689090527fd64958d --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/leco_onh836/meshes/leco_onh836__water_scrubber.obj @@ -0,0 +1,772 @@ +mtllib leco_onh836__water_scrubber.mtl 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Source mean is not independent recovery when calibrated against the same material." + }, + "source": { + "source_id": "leco_jp_carrier" + }, + "evidence": { + "pdf_page": 6, + "locator": "JSS 514-8 quoted reference", + "original_values": { + "N": 0.0096 + }, + "original_units": { + "N": "%" + }, + "conversion": "wt % × 0.01; mass ppm or mg/kg × 1e-6 = kg(element)/kg(sample)", + "original_uncertainty": null, + "original_certificate_independently_verified": false, + "measurement_vs_reference": "reference", + "uncertainty_definition": "Source plus/minus statistic not defined; not assumed to be expanded uncertainty or SD" + }, + "source_release_arrays": null, + "uncertainty_mass_fractions": { + "O": null, + "N": null, + "H": null + }, + "matrix_family": "iron/steel", + "matrix_description": "iron/steel" + }, + "jss_514_measured": { + "record_id": "jss_514_measured", + "material_id": "jss_514", + "name": "JSS 514-8 He measured mean", + "record_kind": "manufacturer_measured_onh836_mean", + "element_mass_fractions": { + "O": null, + "N": 9.2e-05, + "H": null + }, + "reported_elements": [ + "N" + ], + "input_form": "solid", + "physical_input_eligible": true, + "calibration_eligible_elements": [], + "conditions": { + "instrument": "LECO ONH836 (body text; ON836 document name)", + "carrier": "He", + "mass_basis": "as_received", + "minimum_source_sample_mass_kg": null, + "source_current_lot_traceability": false, + "temperature_k": null, + "source_fusion_power_w": 4800.0, + "source_outgas_power_w": 5500.0, + "source_analysis_delay_s": 50.0, + "source_integration_s": { + "O": 40.0, + "N": 55.0 + }, + "source_sample_mass_kg": null, + "preparation": "Solid steel reference material; original chart contains standard-specific calibration. Source mean is not independent recovery when calibrated against the same material." + }, + "source": { + "source_id": "leco_jp_carrier" + }, + "evidence": { + "pdf_page": 6, + "locator": "JSS 514-8 He measured mean", + "original_values": { + "N": 0.0092 + }, + "original_units": { + "N": "%" + }, + "conversion": "wt % × 0.01; mass ppm or mg/kg × 1e-6 = kg(element)/kg(sample)", + "original_uncertainty": null, + "original_certificate_independently_verified": false, + "measurement_vs_reference": "measured", + "uncertainty_definition": "Source plus/minus statistic not defined; not assumed to be expanded uncertainty or SD" + }, + "source_release_arrays": null, + "uncertainty_mass_fractions": { + "O": null, + "N": null, + "H": null + }, + "matrix_family": "iron/steel", + "calibration_independence": "Source uses own assigned value for several materials; not independent CRM validation.", + "matrix_description": "iron/steel" + }, + "yy001116_reference": { + "record_id": "yy001116_reference", + "material_id": "yy001116", + "name": "YY-001-116 quoted reference", + "record_kind": "manufacturer_reported_reference", + "element_mass_fractions": { + "O": null, + "N": 1.8e-05, + "H": null + }, + "reported_elements": [ + "N" + ], + "input_form": "solid", + "physical_input_eligible": true, + "calibration_eligible_elements": [ + "N" + ], + "conditions": { + "instrument": "LECO ONH836 (body text; ON836 document name)", + "carrier": "He", + "mass_basis": "as_received", + "minimum_source_sample_mass_kg": null, + "source_current_lot_traceability": false, + "temperature_k": null, + "source_fusion_power_w": 4800.0, + "source_outgas_power_w": 5500.0, + "source_analysis_delay_s": 50.0, + "source_integration_s": { + "O": 40.0, + "N": 55.0 + }, + "source_sample_mass_kg": null, + "preparation": "Solid steel reference material; original chart contains standard-specific calibration. Source mean is not independent recovery when calibrated against the same material." + }, + "source": { + "source_id": "leco_jp_carrier" + }, + "evidence": { + "pdf_page": 6, + "locator": "YY-001-116 quoted reference", + "original_values": { + "N": 0.0018 + }, + "original_units": { + "N": "%" + }, + "conversion": "wt % × 0.01; mass ppm or mg/kg × 1e-6 = kg(element)/kg(sample)", + "original_uncertainty": null, + "original_certificate_independently_verified": false, + "measurement_vs_reference": "reference", + "uncertainty_definition": "Source plus/minus statistic not defined; not assumed to be expanded uncertainty or SD" + }, + "source_release_arrays": null, + "uncertainty_mass_fractions": { + "O": null, + "N": null, + "H": null + }, + "matrix_family": "iron/steel", + "matrix_description": "iron/steel" + }, + "yy001116_measured": { + "record_id": "yy001116_measured", + "material_id": "yy001116", + "name": "YY-001-116 He measured mean", + "record_kind": "manufacturer_measured_onh836_mean", + "element_mass_fractions": { + "O": null, + "N": 1.5e-05, + "H": null + }, + "reported_elements": [ + "N" + ], + "input_form": "solid", + "physical_input_eligible": true, + "calibration_eligible_elements": [], + "conditions": { + "instrument": "LECO ONH836 (body text; ON836 document name)", + "carrier": "He", + "mass_basis": "as_received", + "minimum_source_sample_mass_kg": null, + "source_current_lot_traceability": false, + "temperature_k": null, + "source_fusion_power_w": 4800.0, + "source_outgas_power_w": 5500.0, + "source_analysis_delay_s": 50.0, + "source_integration_s": { + "O": 40.0, + "N": 55.0 + }, + "source_sample_mass_kg": null, + "preparation": "Solid steel reference material; original chart contains standard-specific calibration. Source mean is not independent recovery when calibrated against the same material." + }, + "source": { + "source_id": "leco_jp_carrier" + }, + "evidence": { + "pdf_page": 6, + "locator": "YY-001-116 He measured mean", + "original_values": { + "N": 0.0015 + }, + "original_units": { + "N": "%" + }, + "conversion": "wt % × 0.01; mass ppm or mg/kg × 1e-6 = kg(element)/kg(sample)", + "original_uncertainty": null, + "original_certificate_independently_verified": false, + "measurement_vs_reference": "measured", + "uncertainty_definition": "Source plus/minus statistic not defined; not assumed to be expanded uncertainty or SD" + }, + "source_release_arrays": null, + "uncertainty_mass_fractions": { + "O": null, + "N": null, + "H": null + }, + "matrix_family": "iron/steel", + "calibration_independence": "Source uses own assigned value for several materials; not independent CRM validation.", + "matrix_description": "iron/steel" + }, + "yy001119_reference": { + "record_id": "yy001119_reference", + "material_id": "yy001119", + "name": "YY-001-119 quoted reference", + "record_kind": "manufacturer_reported_reference", + "element_mass_fractions": { + "O": 2.9e-05, + "N": 2.1e-05, + "H": null + }, + "reported_elements": [ + "O", + "N" + ], + "input_form": "solid", + "physical_input_eligible": true, + "calibration_eligible_elements": [ + "O", + "N" + ], + "conditions": { + "instrument": "LECO ONH836 (body text; ON836 document name)", + "carrier": "He", + "mass_basis": "as_received", + "minimum_source_sample_mass_kg": null, + "source_current_lot_traceability": false, + "temperature_k": null, + "source_fusion_power_w": 4800.0, + "source_outgas_power_w": 5500.0, + "source_analysis_delay_s": 50.0, + "source_integration_s": { + "O": 40.0, + "N": 55.0 + }, + "source_sample_mass_kg": null, + "preparation": "Solid steel reference material; original chart contains standard-specific calibration. Source mean is not independent recovery when calibrated against the same material." + }, + "source": { + "source_id": "leco_jp_carrier" + }, + "evidence": { + "pdf_page": 7, + "locator": "YY-001-119 quoted reference", + "original_values": { + "O": 29, + "N": 21 + }, + "original_units": { + "O": "ppm", + "N": "ppm" + }, + "conversion": "wt % × 0.01; mass ppm or mg/kg × 1e-6 = kg(element)/kg(sample)", + "original_uncertainty": null, + "original_certificate_independently_verified": false, + "measurement_vs_reference": "reference", + "uncertainty_definition": "Source plus/minus statistic not defined; not assumed to be expanded uncertainty or SD" + }, + "source_release_arrays": null, + "uncertainty_mass_fractions": { + "O": null, + "N": null, + "H": null + }, + "matrix_family": "iron/steel", + "matrix_description": "iron/steel" + }, + "yy001119_measured": { + "record_id": "yy001119_measured", + "material_id": "yy001119", + "name": "YY-001-119 He measured mean", + "record_kind": "manufacturer_measured_onh836_mean", + "element_mass_fractions": { + "O": 2.9e-05, + "N": 2.1e-05, + "H": null + }, + "reported_elements": [ + "O", + "N" + ], + "input_form": "solid", + "physical_input_eligible": true, + "calibration_eligible_elements": [], + "conditions": { + "instrument": "LECO ONH836 (body text; ON836 document name)", + "carrier": "He", + "mass_basis": "as_received", + "minimum_source_sample_mass_kg": null, + "source_current_lot_traceability": false, + "temperature_k": null, + "source_fusion_power_w": 4800.0, + "source_outgas_power_w": 5500.0, + "source_analysis_delay_s": 50.0, + "source_integration_s": { + "O": 40.0, + "N": 55.0 + }, + "source_sample_mass_kg": null, + "preparation": "Solid steel reference material; original chart contains standard-specific calibration. Source mean is not independent recovery when calibrated against the same material." + }, + "source": { + "source_id": "leco_jp_carrier" + }, + "evidence": { + "pdf_page": 7, + "locator": "YY-001-119 He measured mean", + "original_values": { + "O": 29.0, + "N": 21.0 + }, + "original_units": { + "O": "ppm", + "N": "ppm" + }, + "conversion": "wt % × 0.01; mass ppm or mg/kg × 1e-6 = kg(element)/kg(sample)", + "original_uncertainty": { + "O": 2.6, + "N": 0.6 + }, + "original_certificate_independently_verified": false, + "measurement_vs_reference": "measured", + "uncertainty_definition": "Reported source SD" + }, + "source_release_arrays": null, + "uncertainty_mass_fractions": { + "O": 2.6e-06, + "N": 6e-07, + "H": null + }, + "matrix_family": "iron/steel", + "calibration_independence": "Source uses own assigned value for several materials; not independent CRM validation.", + "matrix_description": "iron/steel" + }, + "jss_386_reference": { + "record_id": "jss_386_reference", + "material_id": "jss_386", + "name": "JSS386-1 quoted reference", + "record_kind": "manufacturer_reported_reference", + "element_mass_fractions": { + "O": 0.00014199999999999998, + "N": null, + "H": null + }, + "reported_elements": [ + "O" + ], + "input_form": "solid", + "physical_input_eligible": true, + "calibration_eligible_elements": [ + "O" + ], + "conditions": { + "instrument": "LECO ONH836", + "carrier": "He", + "mass_basis": "as_received", + "minimum_source_sample_mass_kg": null, + "source_current_lot_traceability": false, + "temperature_k": null, + "source_sample_mass_kg": 0.0005, + "source_fusion_power_w": 4800.0, + "source_outgas_power_w": 5500.0, + "source_analysis_delay_s": 50.0, + "source_integration_s": { + "O": 35.0, + "N": 55.0 + }, + "preparation": "Filed/cut rods or chips, acetone-cleaned; no added flux. Own material used for one-point standardization." + }, + "source": { + "source_id": "leco_jp_optimization" + }, + "evidence": { + "pdf_page": 2, + "locator": "JSS386-1 quoted reference", + "original_values": { + "O": 142 + }, + "original_units": { + "O": "ppm" + }, + "conversion": "wt % × 0.01; mass ppm or mg/kg × 1e-6 = kg(element)/kg(sample)", + "original_uncertainty": null, + "original_certificate_independently_verified": false, + "measurement_vs_reference": "reference", + "uncertainty_definition": "Source plus/minus statistic not defined; not assumed to be expanded uncertainty or SD" + }, + "source_release_arrays": null, + "uncertainty_mass_fractions": { + "O": null, + "N": null, + "H": null + }, + "matrix_family": "iron/steel", + "matrix_description": "iron/steel" + }, + "jss_386_measured": { + "record_id": "jss_386_measured", + "material_id": "jss_386", + "name": "JSS386-1 helium general-method mean", + "record_kind": "manufacturer_measured_onh836_mean", + "element_mass_fractions": { + "O": 0.00014199999999999998, + "N": 3.1e-05, + "H": null + }, + "reported_elements": [ + "O", + "N" + ], + "input_form": "solid", + "physical_input_eligible": true, + "calibration_eligible_elements": [], + "conditions": { + "instrument": "LECO ONH836", + "carrier": "He", + "mass_basis": "as_received", + "minimum_source_sample_mass_kg": null, + "source_current_lot_traceability": false, + "temperature_k": null, + "source_sample_mass_kg": 0.0005, + "source_fusion_power_w": 4800.0, + "source_outgas_power_w": 5500.0, + "source_analysis_delay_s": 50.0, + "source_integration_s": { + "O": 35.0, + "N": 55.0 + }, + "preparation": "Filed/cut rods or chips, acetone-cleaned; no added flux. Own material used for one-point standardization." + }, + "source": { + "source_id": "leco_jp_optimization" + }, + "evidence": { + "pdf_page": 2, + "locator": "JSS386-1 helium general-method mean", + "original_values": { + "O": 142, + "N": 31 + }, + "original_units": { + "O": "ppm", + "N": "ppm" + }, + "conversion": "wt % × 0.01; mass ppm or mg/kg × 1e-6 = kg(element)/kg(sample)", + "original_uncertainty": { + "O": 2.4, + "N": 0.6 + }, + "original_certificate_independently_verified": false, + "measurement_vs_reference": "measured", + "uncertainty_definition": "Reported source SD" + }, + "source_release_arrays": null, + "uncertainty_mass_fractions": { + "O": 2.4e-06, + "N": 6e-07, + "H": null + }, + "matrix_family": "iron/steel", + "replicate_count": 10, + "matrix_description": "iron/steel" + }, + "jss_601_reference": { + "record_id": "jss_601_reference", + "material_id": "jss_601", + "name": "JSS601-12 quoted reference", + "record_kind": "manufacturer_reported_reference", + "element_mass_fractions": { + "O": null, + "N": 8.999999999999999e-05, + "H": null + }, + "reported_elements": [ + "N" + ], + "input_form": "solid", + "physical_input_eligible": true, + "calibration_eligible_elements": [ + "N" + ], + "conditions": { + "instrument": "LECO ONH836", + "carrier": "He", + "mass_basis": "as_received", + "minimum_source_sample_mass_kg": null, + "source_current_lot_traceability": false, + "temperature_k": null, + "source_sample_mass_kg": 0.0005, + "source_fusion_power_w": 4800.0, + "source_outgas_power_w": 5500.0, + "source_analysis_delay_s": 50.0, + "source_integration_s": { + "O": 35.0, + "N": 55.0 + }, + "preparation": "Filed/cut rods or chips, acetone-cleaned; no added flux. Own material used for one-point standardization." + }, + "source": { + "source_id": "leco_jp_optimization" + }, + "evidence": { + "pdf_page": 2, + "locator": "JSS601-12 quoted reference", + "original_values": { + "N": 90 + }, + "original_units": { + "N": "ppm" + }, + "conversion": "wt % × 0.01; mass ppm or mg/kg × 1e-6 = kg(element)/kg(sample)", + "original_uncertainty": null, + "original_certificate_independently_verified": false, + "measurement_vs_reference": "reference", + "uncertainty_definition": "Source plus/minus statistic not defined; not assumed to be expanded uncertainty or SD" + }, + "source_release_arrays": null, + "uncertainty_mass_fractions": { + "O": null, + "N": null, + "H": null + }, + "matrix_family": "iron/steel", + "matrix_description": "iron/steel" + }, + "jss_601_measured": { + "record_id": "jss_601_measured", + "material_id": "jss_601", + "name": "JSS601-12 helium general-method mean", + "record_kind": "manufacturer_measured_onh836_mean", + "element_mass_fractions": { + "O": null, + "N": 8.999999999999999e-05, + "H": null + }, + "reported_elements": [ + "N" + ], + "input_form": "solid", + "physical_input_eligible": true, + "calibration_eligible_elements": [], + "conditions": { + "instrument": "LECO ONH836", + "carrier": "He", + "mass_basis": "as_received", + "minimum_source_sample_mass_kg": null, + "source_current_lot_traceability": false, + "temperature_k": null, + "source_sample_mass_kg": 0.0005, + "source_fusion_power_w": 4800.0, + "source_outgas_power_w": 5500.0, + "source_analysis_delay_s": 50.0, + "source_integration_s": { + "O": 35.0, + "N": 55.0 + }, + "preparation": "Filed/cut rods or chips, acetone-cleaned; no added flux. Own material used for one-point standardization." + }, + "source": { + "source_id": "leco_jp_optimization" + }, + "evidence": { + "pdf_page": 2, + "locator": "JSS601-12 helium general-method mean", + "original_values": { + "N": 90 + }, + "original_units": { + "N": "ppm" + }, + "conversion": "wt % × 0.01; mass ppm or mg/kg × 1e-6 = kg(element)/kg(sample)", + "original_uncertainty": { + "N": 1.1 + }, + "original_certificate_independently_verified": false, + "measurement_vs_reference": "measured", + "uncertainty_definition": "Reported source SD" + }, + "source_release_arrays": null, + "uncertainty_mass_fractions": { + "O": null, + "N": 1.1e-06, + "H": null + }, + "matrix_family": "iron/steel", + "replicate_count": 10, + "matrix_description": "iron/steel" + }, + "yttrium_oxide_measured": { + "record_id": "yttrium_oxide_measured", + "material_id": "yttrium_oxide", + "name": "Yttrium oxide measured", + "record_kind": "manufacturer_measured_other_instrument_mean", + "element_mass_fractions": { + "O": 0.2126, + "N": null, + "H": null + }, + "reported_elements": [ + "O" + ], + "input_form": "solid", + "physical_input_eligible": true, + "calibration_eligible_elements": [], + "conditions": { + "instrument": "LECO ON836", + "carrier": null, + "mass_basis": "as_received", + "minimum_source_sample_mass_kg": null, + "source_current_lot_traceability": false, + "temperature_k": null, + "source_sample_mass_range_kg": [ + 1.015e-05, + 2.07e-05 + ], + "source_fusion_power_w": 5000.0, + "source_outgas_power_w": 5500.0, + "source_integration_s": { + "O": 40.0 + }, + "preparation": "Yttrium oxide heated at 1273.15 K for 7200 s, cooled, nickel capsule, 782-720 crucible; source-specific moisture removal. ON836 source transferred conditionally to ONH836." + }, + "source": { + "source_id": "leco_jp_oxide" + }, + "evidence": { + "pdf_page": 1, + "locator": "Yttrium oxide measured", + "original_values": { + "O": 21.26 + }, + "original_units": { + "O": "%" + }, + "conversion": "wt % × 0.01; mass ppm or mg/kg × 1e-6 = kg(element)/kg(sample)", + "original_uncertainty": { + "O": 0.06 + }, + "original_certificate_independently_verified": false, + "measurement_vs_reference": "measured", + "uncertainty_definition": "Reported source SD" + }, + "source_release_arrays": null, + "uncertainty_mass_fractions": { + "O": 0.0006, + "N": null, + "H": null + }, + "matrix_family": "yttrium oxide ceramic", + "replicate_count": 8, + "source_replicates": { + "sample_mass_g": [ + 0.01048, + 0.01065, + 0.01033, + 0.01015, + 0.01965, + 0.02056, + 0.0207, + 0.02037 + ], + "O_percent": [ + 21.22, + 21.29, + 21.18, + 21.36, + 21.24, + 21.22, + 21.3, + 21.28 + ] + }, + "matrix_description": "yttrium oxide ceramic" + }, + "leco_501953_reference": { + "record_id": "leco_501953_reference", + "material_id": "leco_501953", + "name": "LECO 501-953 copper quoted reference", + "record_kind": "manufacturer_reported_reference", + "element_mass_fractions": { + "O": 2.7e-06, + "N": null, + "H": null + }, + "reported_elements": [ + "O" + ], + "input_form": "solid", + "physical_input_eligible": true, + "calibration_eligible_elements": [ + "O" + ], + "conditions": { + "instrument": "LECO ONH836", + "carrier": null, + "mass_basis": "as_received", + "minimum_source_sample_mass_kg": null, + "source_current_lot_traceability": false, + "temperature_k": null, + "source_sample_mass_kg": 0.001, + "source_fusion_power_w": 4000.0, + "source_outgas_power_w": 4500.0, + "source_analysis_delay_s": 50.0, + "source_integration_range_s": [ + 25.0, + 35.0 + ], + "preparation": "Double crucible 775-433/775-431; no flux; source carrier gas not specified." + }, + "source": { + "source_id": "leco_jp_copper" + }, + "evidence": { + "pdf_page": 1, + "locator": "LECO 501-953 copper quoted reference", + "original_values": { + "O": 2.7 + }, + "original_units": { + "O": "ppm" + }, + "conversion": "wt % × 0.01; mass ppm or mg/kg × 1e-6 = kg(element)/kg(sample)", + "original_uncertainty": { + "O": 0.54 + }, + "original_certificate_independently_verified": false, + "measurement_vs_reference": "reference", + "uncertainty_definition": "Source plus/minus statistic not defined; not assumed to be expanded uncertainty or SD" + }, + "source_release_arrays": null, + "uncertainty_mass_fractions": { + "O": 5.4e-07, + "N": null, + "H": null + }, + "matrix_family": "copper metal", + "matrix_description": "copper metal" + }, + "leco_501953_measured": { + "record_id": "leco_501953_measured", + "material_id": "leco_501953", + "name": "LECO 501-953 copper measured mean", + "record_kind": "manufacturer_measured_onh836_mean", + "element_mass_fractions": { + "O": 2.7e-06, + "N": null, + "H": null + }, + "reported_elements": [ + "O" + ], + "input_form": "solid", + "physical_input_eligible": true, + "calibration_eligible_elements": [], + "conditions": { + "instrument": "LECO ONH836", + "carrier": null, + "mass_basis": "as_received", + "minimum_source_sample_mass_kg": null, + "source_current_lot_traceability": false, + "temperature_k": null, + "source_sample_mass_kg": 0.001, + "source_fusion_power_w": 4000.0, + "source_outgas_power_w": 4500.0, + "source_analysis_delay_s": 50.0, + "source_integration_range_s": [ + 25.0, + 35.0 + ], + "preparation": "Double crucible 775-433/775-431; no flux; source carrier gas not specified." + }, + "source": { + "source_id": "leco_jp_copper" + }, + "evidence": { + "pdf_page": 1, + "locator": "LECO 501-953 copper measured mean", + "original_values": { + "O": 2.7 + }, + "original_units": { + "O": "ppm" + }, + "conversion": "wt % × 0.01; mass ppm or mg/kg × 1e-6 = kg(element)/kg(sample)", + "original_uncertainty": { + "O": 0.2 + }, + "original_certificate_independently_verified": false, + "measurement_vs_reference": "measured", + "uncertainty_definition": "Reported source SD" + }, + "source_release_arrays": null, + "uncertainty_mass_fractions": { + "O": 2e-07, + "N": null, + "H": null + }, + "matrix_family": "copper metal", + "replicate_count": 8, + "source_replicates": { + "sample_mass_g": [ + 1.0037, + 1.001, + 1.0016, + 0.9999, + 1.0046, + 1.005, + 1.0034, + 1.001 + ], + "O_ppm": [ + 2.7, + 3.1, + 2.4, + 2.8, + 2.5, + 2.9, + 2.7, + 2.5 + ] + }, + "matrix_description": "copper metal" + }, + "leco_502416_reference": { + "record_id": "leco_502416_reference", + "material_id": "leco_502416", + "name": "LECO 502416 quoted reference", + "record_kind": "manufacturer_reported_reference", + "element_mass_fractions": { + "O": 2.8e-05, + "N": 0.000365, + "H": 5.4e-06 + }, + "reported_elements": [ + "O", + "N", + "H" + ], + "input_form": "solid", + "physical_input_eligible": true, + "calibration_eligible_elements": [ + "O", + "N", + "H" + ], + "conditions": { + "instrument": "LECO ONH836", + "carrier": "He", + "mass_basis": "as_received", + "minimum_source_sample_mass_kg": null, + "source_current_lot_traceability": false, + "temperature_k": null, + "source_sample_mass_kg": 0.001, + "source_fusion_power_w": 4800.0, + "source_outgas_power_w": 5500.0, + "source_analysis_delay_s": 25.0, + "source_integration_s": { + "O": 30.0, + "N": 60.0, + "H": 60.0 + }, + "preparation": "Filed/lightly ground surface, acetone washed, warm-air dried and analyzed immediately. Source precision method; source exact alloy composition unspecified." + }, + "source": { + "source_id": "leco_alloy_optimization" + }, + "evidence": { + "pdf_page": 3, + "locator": "LECO 502416 quoted reference", + "original_values": { + "O": 0.0028, + "N": 0.0365, + "H": 5.4 + }, + "original_units": { + "O": "%", + "N": "%", + "H": "ppm" + }, + "conversion": "wt % × 0.01; mass ppm or mg/kg × 1e-6 = kg(element)/kg(sample)", + "original_uncertainty": null, + "original_certificate_independently_verified": false, + "measurement_vs_reference": "reference", + "uncertainty_definition": "Source plus/minus statistic not defined; not assumed to be expanded uncertainty or SD" + }, + "source_release_arrays": null, + "uncertainty_mass_fractions": { + "O": null, + "N": null, + "H": null + }, + "matrix_family": "iron/steel", + "matrix_description": "iron/steel/alloy unspecified" + }, + "leco_502416_measured": { + "record_id": "leco_502416_measured", + "material_id": "leco_502416", + "name": "LECO 502416 precision-method mean", + "record_kind": "manufacturer_measured_onh836_mean", + "element_mass_fractions": { + "O": 2.9e-05, + "N": 0.000365, + "H": 5.4e-06 + }, + "reported_elements": [ + "O", + "N", + "H" + ], + "input_form": "solid", + "physical_input_eligible": true, + "calibration_eligible_elements": [], + "conditions": { + "instrument": "LECO ONH836", + "carrier": "He", + "mass_basis": "as_received", + "minimum_source_sample_mass_kg": null, + "source_current_lot_traceability": false, + "temperature_k": null, + "source_sample_mass_kg": 0.001, + "source_fusion_power_w": 4800.0, + "source_outgas_power_w": 5500.0, + "source_analysis_delay_s": 25.0, + "source_integration_s": { + "O": 30.0, + "N": 60.0, + "H": 60.0 + }, + "preparation": "Filed/lightly ground surface, acetone washed, warm-air dried and analyzed immediately. Source precision method; source exact alloy composition unspecified." + }, + "source": { + "source_id": "leco_alloy_optimization" + }, + "evidence": { + "pdf_page": 3, + "locator": "LECO 502416 precision-method mean", + "original_values": { + "O": 0.0029, + "N": 0.0365, + "H": 5.4 + }, + "original_units": { + "O": "%", + "N": "%", + "H": "ppm" + }, + "conversion": "wt % × 0.01; mass ppm or mg/kg × 1e-6 = kg(element)/kg(sample)", + "original_uncertainty": { + "O": 0.0001, + "N": 0.0003, + "H": 0.1 + }, + "original_certificate_independently_verified": false, + "measurement_vs_reference": "measured", + "uncertainty_definition": "Reported source SD" + }, + "source_release_arrays": null, + "uncertainty_mass_fractions": { + "O": 1.0000000000000002e-06, + "N": 2.9999999999999997e-06, + "H": 1e-07 + }, + "matrix_family": "iron/steel", + "replicate_count": 10, + "matrix_description": "iron/steel/alloy unspecified" + }, + "leco_501646_reference": { + "record_id": "leco_501646_reference", + "material_id": "leco_501646", + "name": "LECO 501646 quoted reference", + "record_kind": "manufacturer_reported_reference", + "element_mass_fractions": { + "O": 0.000363, + "N": 2.2000000000000003e-05, + "H": null + }, + "reported_elements": [ + "O", + "N" + ], + "input_form": "solid", + "physical_input_eligible": true, + "calibration_eligible_elements": [ + "O", + "N" + ], + "conditions": { + "instrument": "LECO ONH836", + "carrier": "He", + "mass_basis": "as_received", + "minimum_source_sample_mass_kg": null, + "source_current_lot_traceability": false, + "temperature_k": null, + "source_sample_mass_kg": 0.001, + "source_fusion_power_w": 4800.0, + "source_outgas_power_w": 5500.0, + "source_analysis_delay_s": 25.0, + "source_integration_s": { + "O": 30.0, + "N": 60.0, + "H": 60.0 + }, + "preparation": "Filed/lightly ground surface, acetone washed, warm-air dried and analyzed immediately. Source precision method; source exact alloy composition unspecified." + }, + "source": { + "source_id": "leco_alloy_optimization" + }, + "evidence": { + "pdf_page": 3, + "locator": "LECO 501646 quoted reference", + "original_values": { + "O": 0.0363, + "N": 0.0022 + }, + "original_units": { + "O": "%", + "N": "%" + }, + "conversion": "wt % × 0.01; mass ppm or mg/kg × 1e-6 = kg(element)/kg(sample)", + "original_uncertainty": null, + "original_certificate_independently_verified": false, + "measurement_vs_reference": "reference", + "uncertainty_definition": "Source plus/minus statistic not defined; not assumed to be expanded uncertainty or SD" + }, + "source_release_arrays": null, + "uncertainty_mass_fractions": { + "O": null, + "N": null, + "H": null + }, + "matrix_family": "iron/steel", + "matrix_description": "iron/steel/alloy unspecified" + }, + "leco_501646_measured": { + "record_id": "leco_501646_measured", + "material_id": "leco_501646", + "name": "LECO 501646 precision-method mean", + "record_kind": "manufacturer_measured_onh836_mean", + "element_mass_fractions": { + "O": 0.000363, + "N": 2.3e-05, + "H": 1e-06 + }, + "reported_elements": [ + "O", + "N", + "H" + ], + "input_form": "solid", + "physical_input_eligible": true, + "calibration_eligible_elements": [], + "conditions": { + "instrument": "LECO ONH836", + "carrier": "He", + "mass_basis": "as_received", + "minimum_source_sample_mass_kg": null, + "source_current_lot_traceability": false, + "temperature_k": null, + "source_sample_mass_kg": 0.001, + "source_fusion_power_w": 4800.0, + "source_outgas_power_w": 5500.0, + "source_analysis_delay_s": 25.0, + "source_integration_s": { + "O": 30.0, + "N": 60.0, + "H": 60.0 + }, + "preparation": "Filed/lightly ground surface, acetone washed, warm-air dried and analyzed immediately. Source precision method; source exact alloy composition unspecified." + }, + "source": { + "source_id": "leco_alloy_optimization" + }, + "evidence": { + "pdf_page": 3, + "locator": "LECO 501646 precision-method mean", + "original_values": { + "O": 0.0363, + "N": 0.0023, + "H": 1.0 + }, + "original_units": { + "O": "%", + "N": "%", + "H": "ppm" + }, + "conversion": "wt % × 0.01; mass ppm or mg/kg × 1e-6 = kg(element)/kg(sample)", + "original_uncertainty": { + "O": 0.0002, + "N": 0.0001, + "H": 0.2 + }, + "original_certificate_independently_verified": false, + "measurement_vs_reference": "measured", + "uncertainty_definition": "Reported source SD" + }, + "source_release_arrays": null, + "uncertainty_mass_fractions": { + "O": 2.0000000000000003e-06, + "N": 1.0000000000000002e-06, + "H": 2e-07 + }, + "matrix_family": "iron/steel", + "replicate_count": 10, + "matrix_description": "iron/steel/alloy unspecified" + }, + "titanium_hydride_reagent_measured": { + "record_id": "titanium_hydride_reagent_measured", + "material_id": "titanium_hydride", + "name": "Titanium hydride reagent-grade measured mean", + "record_kind": "manufacturer_measured_onh836_mean", + "element_mass_fractions": { + "O": 0.0054, + "N": null, + "H": 0.0402 + }, + "reported_elements": [ + "O", + "H" + ], + "input_form": "solid", + "physical_input_eligible": true, + "calibration_eligible_elements": [], + "conditions": { + "instrument": "LECO ONH836 series", + "carrier": "He", + "mass_basis": "as_received", + "minimum_source_sample_mass_kg": null, + "source_current_lot_traceability": false, + "temperature_k": null, + "source_sample_mass_kg": 0.0001, + "source_outgas_power_w": 5300.0, + "source_integration_s": { + "O": 210.0, + "H": 210.0 + }, + "source_power_program": [ + { + "power_w": 1200.0, + "duration_s": 100.0 + }, + { + "power_start_w": 1200.0, + "power_end_w": 4800.0, + "duration_s": 20.0 + }, + { + "power_w": 4800.0, + "duration_s": 90.0 + } + ], + "preparation": "Uniform powder/chips in open nickel capsule. Nitrogen determination explicitly not applicable to titanium hydride by this source.", + "source_range_conflict": "Approximately 0.1 g × 4 wt% H ≈ 4 mg H exceeds requested REV5 2.5 mg H upper limit. Preserve source result; any smaller host dose is conditional, not source method replay." + }, + "source": { + "source_id": "leco_tih2" + }, + "evidence": { + "pdf_page": 3, + "locator": "Titanium hydride reagent-grade measured mean", + "original_values": { + "O": 0.54, + "H": 4.02 + }, + "original_units": { + "O": "%", + "H": "%" + }, + "conversion": "wt % × 0.01; mass ppm or mg/kg × 1e-6 = kg(element)/kg(sample)", + "original_uncertainty": { + "O": 0.01, + "H": 0.01 + }, + "original_certificate_independently_verified": false, + "measurement_vs_reference": "measured", + "uncertainty_definition": "Reported source SD" + }, + "source_release_arrays": null, + "uncertainty_mass_fractions": { + "O": 0.0001, + "N": null, + "H": 0.0001 + }, + "matrix_family": "titanium hydride", + "replicate_count": 5, + "matrix_description": "titanium hydride" + }, + "titanium_hydride_sample_measured": { + "record_id": "titanium_hydride_sample_measured", + "material_id": "titanium_hydride", + "name": "Titanium hydride sample measured mean", + "record_kind": "manufacturer_measured_onh836_mean", + "element_mass_fractions": { + "O": 0.0067, + "N": null, + "H": 0.039900000000000005 + }, + "reported_elements": [ + "O", + "H" + ], + "input_form": "solid", + "physical_input_eligible": true, + "calibration_eligible_elements": [], + "conditions": { + "instrument": "LECO ONH836 series", + "carrier": "He", + "mass_basis": "as_received", + "minimum_source_sample_mass_kg": null, + "source_current_lot_traceability": false, + "temperature_k": null, + "source_sample_mass_kg": 0.0001, + "source_outgas_power_w": 5300.0, + "source_integration_s": { + "O": 210.0, + "H": 210.0 + }, + "source_power_program": [ + { + "power_w": 1200.0, + "duration_s": 100.0 + }, + { + "power_start_w": 1200.0, + "power_end_w": 4800.0, + "duration_s": 20.0 + }, + { + "power_w": 4800.0, + "duration_s": 90.0 + } + ], + "preparation": "Uniform powder/chips in open nickel capsule. Nitrogen determination explicitly not applicable to titanium hydride by this source.", + "source_range_conflict": "Approximately 0.1 g × 4 wt% H ≈ 4 mg H exceeds requested REV5 2.5 mg H upper limit. Preserve source result; any smaller host dose is conditional, not source method replay." + }, + "source": { + "source_id": "leco_tih2" + }, + "evidence": { + "pdf_page": 3, + "locator": "Titanium hydride sample measured mean", + "original_values": { + "O": 0.67, + "H": 3.99 + }, + "original_units": { + "O": "%", + "H": "%" + }, + "conversion": "wt % × 0.01; mass ppm or mg/kg × 1e-6 = kg(element)/kg(sample)", + "original_uncertainty": { + "O": 0.01, + "H": 0.01 + }, + "original_certificate_independently_verified": false, + "measurement_vs_reference": "measured", + "uncertainty_definition": "Reported source SD" + }, + "source_release_arrays": null, + "uncertainty_mass_fractions": { + "O": 0.0001, + "N": null, + "H": 0.0001 + }, + "matrix_family": "titanium hydride", + "replicate_count": 5, + "matrix_description": "titanium hydride" + }, + "leco_501149_reference": { + "record_id": "leco_501149_reference", + "material_id": "leco_501149", + "name": "LECO 501-149 copper quoted reference", + "record_kind": "manufacturer_reported_reference", + "element_mass_fractions": { + "O": 0.000541, + "N": null, + "H": null + }, + "reported_elements": [ + "O" + ], + "input_form": "solid", + "physical_input_eligible": true, + "calibration_eligible_elements": [ + "O" + ], + "conditions": { + "instrument": "LECO ONH836 series", + "carrier": "He", + "mass_basis": "as_received", + "minimum_source_sample_mass_kg": null, + "source_current_lot_traceability": false, + "temperature_k": null, + "source_sample_mass_kg": 0.001, + "source_outgas_power_w": 5300.0, + "source_integration_s": { + "O": 210.0, + "H": 210.0 + }, + "source_power_program": [ + { + "power_w": 1200.0, + "duration_s": 100.0 + }, + { + "power_start_w": 1200.0, + "power_end_w": 4800.0, + "duration_s": 20.0 + }, + { + "power_w": 4800.0, + "duration_s": 90.0 + } + ], + "preparation": "Uniform powder/chips in open nickel capsule. Nitrogen determination explicitly not applicable to titanium hydride by this source.", + "source_range_conflict": "Approximately 0.1 g × 4 wt% H ≈ 4 mg H exceeds requested REV5 2.5 mg H upper limit. Preserve source result; any smaller host dose is conditional, not source method replay." + }, + "source": { + "source_id": "leco_tih2" + }, + "evidence": { + "pdf_page": 3, + "locator": "LECO 501-149 copper quoted reference", + "original_values": { + "O": 0.0541 + }, + "original_units": { + "O": "%" + }, + "conversion": "wt % × 0.01; mass ppm or mg/kg × 1e-6 = kg(element)/kg(sample)", + "original_uncertainty": null, + "original_certificate_independently_verified": false, + "measurement_vs_reference": "reference", + "uncertainty_definition": "Source plus/minus statistic not defined; not assumed to be expanded uncertainty or SD" + }, + "source_release_arrays": null, + "uncertainty_mass_fractions": { + "O": null, + "N": null, + "H": null + }, + "matrix_family": "copper metal", + "matrix_description": "copper metal" + }, + "leco_501149_measured": { + "record_id": "leco_501149_measured", + "material_id": "leco_501149", + "name": "LECO 501-149 copper measured mean", + "record_kind": "manufacturer_measured_onh836_mean", + "element_mass_fractions": { + "O": 0.000541, + "N": null, + "H": 1.1e-06 + }, + "reported_elements": [ + "O", + "H" + ], + "input_form": "solid", + "physical_input_eligible": true, + "calibration_eligible_elements": [], + "conditions": { + "instrument": "LECO ONH836 series", + "carrier": "He", + "mass_basis": "as_received", + "minimum_source_sample_mass_kg": null, + "source_current_lot_traceability": false, + "temperature_k": null, + "source_sample_mass_kg": 0.001, + "source_outgas_power_w": 5300.0, + "source_integration_s": { + "O": 210.0, + "H": 210.0 + }, + "source_power_program": [ + { + "power_w": 1200.0, + "duration_s": 100.0 + }, + { + "power_start_w": 1200.0, + "power_end_w": 4800.0, + "duration_s": 20.0 + }, + { + "power_w": 4800.0, + "duration_s": 90.0 + } + ], + "preparation": "Uniform powder/chips in open nickel capsule. Nitrogen determination explicitly not applicable to titanium hydride by this source.", + "source_range_conflict": "Approximately 0.1 g × 4 wt% H ≈ 4 mg H exceeds requested REV5 2.5 mg H upper limit. Preserve source result; any smaller host dose is conditional, not source method replay." + }, + "source": { + "source_id": "leco_tih2" + }, + "evidence": { + "pdf_page": 3, + "locator": "LECO 501-149 copper measured mean", + "original_values": { + "O": 0.0541, + "H": 0.00011 + }, + "original_units": { + "O": "%", + "H": "%" + }, + "conversion": "wt % × 0.01; mass ppm or mg/kg × 1e-6 = kg(element)/kg(sample)", + "original_uncertainty": { + "O": 0.0002, + "H": 2e-05 + }, + "original_certificate_independently_verified": false, + "measurement_vs_reference": "measured", + "uncertainty_definition": "Reported source SD" + }, + "source_release_arrays": null, + "uncertainty_mass_fractions": { + "O": 2.0000000000000003e-06, + "N": null, + "H": 2.0000000000000002e-07 + }, + "matrix_family": "copper metal", + "replicate_count": 5, + "matrix_description": "copper metal" + }, + "nist_srm_3_measured": { + "record_id": "nist_srm_3_measured", + "material_id": "nist_srm_3", + "name": "Historical NBS SRM 3c nitrogen measurement", + "record_kind": "historical_other_instrument_measured_mean", + "element_mass_fractions": { + "O": null, + "N": 4.5299999999999997e-05, + "H": null + }, + "reported_elements": [ + "N" + ], + "input_form": "solid", + "physical_input_eligible": true, + "calibration_eligible_elements": [], + "conditions": { + "instrument": "NBS experimental single-crucible helium-fusion apparatus (1971), not ONH836", + "carrier": "He", + "mass_basis": "as_received", + "minimum_source_sample_mass_kg": null, + "source_current_lot_traceability": false, + "temperature_k": null, + "source_sample_mass_kg": null, + "preparation": "Milled iron/steel SRM; 343 and 346 also available in chunk form. Original historical material identities; no present lot traceability.", + "source_sample_mass_range_kg": null, + "source_power_w": null + }, + "source": { + "source_id": "nist_sp26026" + }, + "evidence": { + "pdf_page": 20, + "locator": "Table 2 analytical/average N ppm, row 3c", + "original_values": { + "N": 45.3 + }, + "original_units": { + "N": "ppm" + }, + "conversion": "wt % × 0.01; mass ppm or mg/kg × 1e-6 = kg(element)/kg(sample)", + "original_uncertainty": null, + "original_certificate_independently_verified": false, + "measurement_vs_reference": "measured", + "printed_page": 10, + "uncertainty_definition": "Source plus/minus statistic not defined; not assumed to be expanded uncertainty or SD" + }, + "source_release_arrays": null, + "uncertainty_mass_fractions": { + "O": null, + "N": null, + "H": null + }, + "matrix_family": "iron/steel", + "replicate_count": 3, + "source_replicates": { + "N_ppm": [ + 45.8, + 42.5, + 47.5 + ] + }, + "matrix_description": "iron/steel historical grade" + }, + "nist_srm_4_measured": { + "record_id": "nist_srm_4_measured", + "material_id": "nist_srm_4", + "name": "Historical NBS SRM 4j nitrogen measurement", + "record_kind": "historical_other_instrument_measured_mean", + "element_mass_fractions": { + "O": null, + "N": 4.12e-05, + "H": null + }, + "reported_elements": [ + "N" + ], + "input_form": "solid", + "physical_input_eligible": true, + "calibration_eligible_elements": [], + "conditions": { + "instrument": "NBS experimental single-crucible helium-fusion apparatus (1971), not ONH836", + "carrier": "He", + "mass_basis": "as_received", + "minimum_source_sample_mass_kg": null, + "source_current_lot_traceability": false, + "temperature_k": null, + "source_sample_mass_kg": null, + "preparation": "Milled iron/steel SRM; 343 and 346 also available in chunk form. Original historical material identities; no present lot traceability.", + "source_sample_mass_range_kg": null, + "source_power_w": null + }, + "source": { + "source_id": "nist_sp26026" + }, + "evidence": { + "pdf_page": 20, + "locator": "Table 2 analytical/average N ppm, row 4j", + "original_values": { + "N": 41.2 + }, + "original_units": { + "N": "ppm" + }, + "conversion": "wt % × 0.01; mass ppm or mg/kg × 1e-6 = kg(element)/kg(sample)", + "original_uncertainty": null, + "original_certificate_independently_verified": false, + "measurement_vs_reference": "measured", + "printed_page": 10, + "uncertainty_definition": "Source plus/minus statistic not defined; not assumed to be expanded uncertainty or SD" + }, + "source_release_arrays": null, + "uncertainty_mass_fractions": { + "O": null, + "N": null, + "H": null + }, + "matrix_family": "iron/steel", + "replicate_count": 3, + "source_replicates": { + "N_ppm": [ + 41.1, + 41.3, + 41.3 + ] + }, + "matrix_description": "iron/steel historical grade" + }, + "nist_srm_5_measured": { + "record_id": "nist_srm_5_measured", + "material_id": "nist_srm_5", + "name": "Historical NBS SRM 5L nitrogen measurement", + "record_kind": "historical_other_instrument_measured_mean", + "element_mass_fractions": { + "O": null, + "N": 5.82e-05, + "H": null + }, + "reported_elements": [ + "N" + ], + "input_form": "solid", + "physical_input_eligible": true, + "calibration_eligible_elements": [], + "conditions": { + "instrument": "NBS experimental single-crucible helium-fusion apparatus (1971), not ONH836", + "carrier": "He", + "mass_basis": "as_received", + "minimum_source_sample_mass_kg": null, + "source_current_lot_traceability": false, + "temperature_k": null, + "source_sample_mass_kg": null, + "preparation": "Milled iron/steel SRM; 343 and 346 also available in chunk form. 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Original historical material identities; no present lot traceability.", + "source_sample_mass_range_kg": null, + "source_power_w": null + }, + "source": { + "source_id": "nist_sp26026" + }, + "evidence": { + "pdf_page": 20, + "locator": "Table 2 analytical/average N ppm, row 125a", + "original_values": { + "N": 38.7 + }, + "original_units": { + "N": "ppm" + }, + "conversion": "wt % × 0.01; mass ppm or mg/kg × 1e-6 = kg(element)/kg(sample)", + "original_uncertainty": null, + "original_certificate_independently_verified": false, + "measurement_vs_reference": "measured", + "printed_page": 10, + "uncertainty_definition": "Source plus/minus statistic not defined; not assumed to be expanded uncertainty or SD" + }, + "source_release_arrays": null, + "uncertainty_mass_fractions": { + "O": null, + "N": null, + "H": null + }, + "matrix_family": "iron/steel", + "replicate_count": 6, + "source_replicates": { + "N_ppm": [ + 42.6, + 38.2, + 36.8, + 39.0, + 38.0, + 37.9 + ] + }, + "matrix_description": "iron/steel historical grade" + }, + "nist_srm_129_measured": { + "record_id": "nist_srm_129_measured", + "material_id": "nist_srm_129", + "name": "Historical NBS SRM 129b nitrogen measurement", + "record_kind": "historical_other_instrument_measured_mean", + "element_mass_fractions": { + "O": null, + "N": 0.000129, + "H": null + }, + "reported_elements": [ + "N" + ], + "input_form": "solid", + "physical_input_eligible": true, + "calibration_eligible_elements": [], + "conditions": { + "instrument": "NBS experimental single-crucible helium-fusion apparatus (1971), not ONH836", + "carrier": "He", + "mass_basis": "as_received", + "minimum_source_sample_mass_kg": null, + "source_current_lot_traceability": false, + "temperature_k": null, + "source_sample_mass_kg": null, + "preparation": "Milled iron/steel SRM; 343 and 346 also available in chunk form. Original historical material identities; no present lot traceability.", + "source_sample_mass_range_kg": null, + "source_power_w": null + }, + "source": { + "source_id": "nist_sp26026" + }, + "evidence": { + "pdf_page": 20, + "locator": "Table 2 analytical/average N ppm, row 129b", + "original_values": { + "N": 129.0 + }, + "original_units": { + "N": "ppm" + }, + "conversion": "wt % × 0.01; mass ppm or mg/kg × 1e-6 = kg(element)/kg(sample)", + "original_uncertainty": null, + "original_certificate_independently_verified": false, + "measurement_vs_reference": "measured", + "printed_page": 10, + "uncertainty_definition": "Source plus/minus statistic not defined; not assumed to be expanded uncertainty or SD" + }, + "source_release_arrays": null, + "uncertainty_mass_fractions": { + "O": null, + "N": null, + "H": null + }, + "matrix_family": "iron/steel", + "replicate_count": 3, + "source_replicates": { + "N_ppm": [ + 132.0, + 126.0, + 128.0 + ] + }, + "matrix_description": "iron/steel historical grade" + }, + "nist_srm_163_measured": { + "record_id": "nist_srm_163_measured", + "material_id": "nist_srm_163", + "name": "Historical NBS SRM 163 nitrogen measurement", + "record_kind": "historical_other_instrument_measured_mean", + "element_mass_fractions": { + "O": null, + "N": 8.14e-05, + "H": null + }, + "reported_elements": [ + "N" + ], + "input_form": "solid", + "physical_input_eligible": true, + "calibration_eligible_elements": [], + "conditions": { + "instrument": "NBS experimental single-crucible helium-fusion apparatus (1971), not ONH836", + "carrier": "He", + "mass_basis": "as_received", + "minimum_source_sample_mass_kg": null, + "source_current_lot_traceability": false, + "temperature_k": null, + "source_sample_mass_kg": null, + "preparation": "Milled iron/steel SRM; 343 and 346 also available in chunk form. Original historical material identities; no present lot traceability.", + "source_sample_mass_range_kg": null, + "source_power_w": null + }, + "source": { + "source_id": "nist_sp26026" + }, + "evidence": { + "pdf_page": 20, + "locator": "Table 2 analytical/average N ppm, row 163", + "original_values": { + "N": 81.4 + }, + "original_units": { + "N": "ppm" + }, + "conversion": "wt % × 0.01; mass ppm or mg/kg × 1e-6 = kg(element)/kg(sample)", + "original_uncertainty": null, + "original_certificate_independently_verified": false, + "measurement_vs_reference": "measured", + "printed_page": 10, + "uncertainty_definition": "Source plus/minus statistic not defined; not assumed to be expanded uncertainty or SD" + }, + "source_release_arrays": null, + "uncertainty_mass_fractions": { + "O": null, + "N": null, + "H": null + }, + "matrix_family": "iron/steel", + "replicate_count": 3, + "source_replicates": { + "N_ppm": [ + 93.9, + 77.1, + 73.1 + ] + }, + "matrix_description": "iron/steel historical grade" + }, + "nist_srm_343_measured": { + "record_id": "nist_srm_343_measured", + "material_id": "nist_srm_343", + "name": "Historical NBS SRM 343 nitrogen measurement", + "record_kind": "historical_other_instrument_measured_mean", + "element_mass_fractions": { + "O": null, + "N": 0.000734, + "H": null + }, + "reported_elements": [ + "N" + ], + "input_form": "solid", + "physical_input_eligible": true, + "calibration_eligible_elements": [], + "conditions": { + "instrument": "NBS experimental single-crucible helium-fusion apparatus (1971), not ONH836", + "carrier": "He", + "mass_basis": "as_received", + "minimum_source_sample_mass_kg": null, + "source_current_lot_traceability": false, + "temperature_k": null, + "source_sample_mass_kg": null, + "preparation": "Milled iron/steel SRM; 343 and 346 also available in chunk form. Original historical material identities; no present lot traceability.", + "source_sample_mass_range_kg": null, + "source_power_w": null + }, + "source": { + "source_id": "nist_sp26026" + }, + "evidence": { + "pdf_page": 20, + "locator": "Table 2 analytical/average N ppm, row 343", + "original_values": { + "N": 734.0 + }, + "original_units": { + "N": "ppm" + }, + "conversion": "wt % × 0.01; mass ppm or mg/kg × 1e-6 = kg(element)/kg(sample)", + "original_uncertainty": null, + "original_certificate_independently_verified": false, + "measurement_vs_reference": "measured", + "printed_page": 10, + "uncertainty_definition": "Source plus/minus statistic not defined; not assumed to be expanded uncertainty or SD" + }, + "source_release_arrays": null, + "uncertainty_mass_fractions": { + "O": null, + "N": null, + "H": null + }, + "matrix_family": "iron/steel", + "replicate_count": 3, + "source_replicates": { + "N_ppm": [ + 737.0, + 732.0, + 733.0 + ] + }, + "matrix_description": "iron/steel historical grade" + }, + "nist_srm_346_measured": { + "record_id": "nist_srm_346_measured", + "material_id": "nist_srm_346", + "name": "Historical NBS SRM 346 nitrogen measurement", + "record_kind": "historical_other_instrument_measured_mean", + "element_mass_fractions": { + "O": null, + "N": 0.00452, + "H": null + }, + "reported_elements": [ + "N" + ], + "input_form": "solid", + "physical_input_eligible": true, + "calibration_eligible_elements": [], + "conditions": { + "instrument": "NBS experimental single-crucible helium-fusion apparatus (1971), not ONH836", + "carrier": "He", + "mass_basis": "as_received", + "minimum_source_sample_mass_kg": null, + "source_current_lot_traceability": false, + "temperature_k": null, + "source_sample_mass_kg": null, + "preparation": "Milled iron/steel SRM; 343 and 346 also available in chunk form. Original historical material identities; no present lot traceability.", + "source_sample_mass_range_kg": null, + "source_power_w": null + }, + "source": { + "source_id": "nist_sp26026" + }, + "evidence": { + "pdf_page": 20, + "locator": "Table 2 analytical/average N ppm, row 346", + "original_values": { + "N": 4520.0 + }, + "original_units": { + "N": "ppm" + }, + "conversion": "wt % × 0.01; mass ppm or mg/kg × 1e-6 = kg(element)/kg(sample)", + "original_uncertainty": null, + "original_certificate_independently_verified": false, + "measurement_vs_reference": "measured", + "printed_page": 10, + "uncertainty_definition": "Source plus/minus statistic not defined; not assumed to be expanded uncertainty or SD" + }, + "source_release_arrays": null, + "uncertainty_mass_fractions": { + "O": null, + "N": null, + "H": null + }, + "matrix_family": "iron/steel", + "replicate_count": 3, + "source_replicates": { + "N_ppm": [ + 4490.0, + 4530.0, + 4550.0 + ] + }, + "matrix_description": "iron/steel historical grade" + }, + "nist_srm_1755_reference": { + "record_id": "nist_srm_1755_reference", + "material_id": "nist_srm_1755", + "name": "NIST SRM1755 certified nitrogen", + "record_kind": "original_certificate_assigned", + "element_mass_fractions": { + "O": null, + "N": 0.0001184, + "H": null + }, + "reported_elements": [ + "N" + ], + "input_form": "solid", + "physical_input_eligible": true, + "calibration_eligible_elements": [ + "N" + ], + "conditions": { + "instrument": "Certificate assignment: Kjeldahl, combustion IR and vacuum-fusion gas volume, not specified ONH836", + "carrier": null, + "mass_basis": "as_received", + "minimum_source_sample_mass_kg": null, + "source_current_lot_traceability": false, + "temperature_k": null, + "preparation": "35 mm diameter × 19 mm disk. Certified value excludes central 10 mm diameter and any area less than 5 mm from edge. Conditional host prepared fragment; no unverified homogeneity minimum invented.", + "certificate_validity": "Indefinite conditional on original certificate handling; physical sample provenance not verified." + }, + "source": { + "source_id": "nist_1755" + }, + "evidence": { + "pdf_page": 1, + "locator": "NIST SRM1755 certified nitrogen", + "original_values": { + "N": 118.4 + }, + "original_units": { + "N": "mg/kg" + }, + "conversion": "wt % × 0.01; mass ppm or mg/kg × 1e-6 = kg(element)/kg(sample)", + "original_uncertainty": { + "N": 1.8 + }, + "original_certificate_independently_verified": true, + "measurement_vs_reference": "reference", + "uncertainty_definition": "Expanded uncertainty at 95% confidence; coverage factor not numerically specified." + }, + "source_release_arrays": null, + "uncertainty_mass_fractions": { + "O": null, + "N": 1.8e-06, + "H": null + }, + "matrix_family": "iron/steel", + "matrix_description": "low alloy steel" + }, + "bam_d026_reference": { + "record_id": "bam_d026_reference", + "material_id": "bam_d026", + "name": "Unalloyed steel rolled wire D026-1", + "record_kind": "original_certificate_assigned", + "element_mass_fractions": { + "O": 3.1e-05, + "N": 5.3e-05, + "H": null + }, + "reported_elements": [ + "O", + "N" + ], + "input_form": "solid", + "physical_input_eligible": true, + "calibration_eligible_elements": [ + "O", + "N" + ], + "conditions": { + "instrument": "Interlaboratory certified assignment using multiple methods, not ONH836-specific", + "carrier": null, + "mass_basis": "as_received", + "minimum_source_sample_mass_kg": null, + "source_current_lot_traceability": false, + "certificate_issue_date": "1969-07", + "certificate_original_file_verified": true, + "temperature_k": null, + "preparation": "Historical rolled wire: dry turning from 10 mm to 5 mm diameter; no cooling water/oil; sample temperature below 323.15 K; clean grease-free tweezers; desiccator storage and analyze within 10800 s after preparation. Certificate does not state a minimum mass.", + "source_material_age": "Historical certificate; current physical specimen stability/lot not verified." + }, + "source": { + "source_id": "bam_d026_1" + }, + "evidence": { + "pdf_page": 1, + "locator": "Certified values on PDF page 1; original scanned page manually read where text layer is absent.", + "original_values": { + "O": 0.0031, + "N": 0.0053 + }, + "original_units": { + "O": "%", + "N": "%" + }, + "conversion": "wt % × 0.01; mass ppm or mg/kg × 1e-6 = kg(element)/kg(sample)", + "original_uncertainty": { + "O": 0.0003, + "N": 0.0004 + }, + "original_certificate_independently_verified": true, + "measurement_vs_reference": "reference", + "uncertainty_definition": "standard deviation s" + }, + "source_release_arrays": null, + "uncertainty_mass_fractions": { + "O": 2.9999999999999997e-06, + "N": 4.000000000000001e-06, + "H": null + }, + "matrix_family": "iron/steel", + "matrix_description": "unalloyed steel" + }, + "bam_d027_reference": { + "record_id": "bam_d027_reference", + "material_id": "bam_d027", + "name": "Unalloyed steel rolled wire D027-1", + "record_kind": "original_certificate_assigned", + "element_mass_fractions": { + "O": 8.4e-05, + "N": 0.000157, + "H": null + }, + "reported_elements": [ + "O", + "N" + ], + "input_form": "solid", + "physical_input_eligible": true, + "calibration_eligible_elements": [ + "O", + "N" + ], + "conditions": { + "instrument": "Interlaboratory certified assignment using multiple methods, not ONH836-specific", + "carrier": null, + "mass_basis": "as_received", + "minimum_source_sample_mass_kg": null, + "source_current_lot_traceability": false, + "certificate_issue_date": "1970-01", + "certificate_original_file_verified": true, + "temperature_k": null, + "preparation": "Historical rolled wire: dry turning from 10 mm to 5 mm diameter; no cooling water/oil; sample temperature below 323.15 K; clean grease-free tweezers; desiccator storage and analyze within 10800 s after preparation. Certificate does not state a minimum mass.", + "source_material_age": "Historical certificate; current physical specimen stability/lot not verified." + }, + "source": { + "source_id": "bam_d027_1" + }, + "evidence": { + "pdf_page": 1, + "locator": "Certified values on PDF page 1; original scanned page manually read where text layer is absent.", + "original_values": { + "O": 0.0084, + "N": 0.0157 + }, + "original_units": { + "O": "%", + "N": "%" + }, + "conversion": "wt % × 0.01; mass ppm or mg/kg × 1e-6 = kg(element)/kg(sample)", + "original_uncertainty": { + "O": 0.0006, + "N": 0.001 + }, + "original_certificate_independently_verified": true, + "measurement_vs_reference": "reference", + "uncertainty_definition": "standard deviation s" + }, + "source_release_arrays": null, + "uncertainty_mass_fractions": { + "O": 5.999999999999999e-06, + "N": 1e-05, + "H": null + }, + "matrix_family": "iron/steel", + "matrix_description": "unalloyed steel" + }, + "bam_d028_reference": { + "record_id": "bam_d028_reference", + "material_id": "bam_d028", + "name": "Unalloyed steel rolled wire D028-1", + "record_kind": "original_certificate_assigned", + "element_mass_fractions": { + "O": 0.000113, + "N": 2.9e-05, + "H": null + }, + "reported_elements": [ + "O", + "N" + ], + "input_form": "solid", + "physical_input_eligible": true, + "calibration_eligible_elements": [ + "O", + "N" + ], + "conditions": { + "instrument": "Interlaboratory certified assignment using multiple methods, not ONH836-specific", + "carrier": null, + "mass_basis": "as_received", + "minimum_source_sample_mass_kg": null, + "source_current_lot_traceability": false, + "certificate_issue_date": "1970-01", + "certificate_original_file_verified": true, + "temperature_k": null, + "preparation": "Historical rolled wire: dry turning from 10 mm to 5 mm diameter; no cooling water/oil; sample temperature below 323.15 K; clean grease-free tweezers; desiccator storage and analyze within 10800 s after preparation. Certificate does not state a minimum mass.", + "source_material_age": "Historical certificate; current physical specimen stability/lot not verified." + }, + "source": { + "source_id": "bam_d028_1" + }, + "evidence": { + "pdf_page": 1, + "locator": "Certified values on PDF page 1; original scanned page manually read where text layer is absent.", + "original_values": { + "O": 0.0113, + "N": 0.0029 + }, + "original_units": { + "O": "%", + "N": "%" + }, + "conversion": "wt % × 0.01; mass ppm or mg/kg × 1e-6 = kg(element)/kg(sample)", + "original_uncertainty": { + "O": 0.0007, + "N": 0.0005 + }, + "original_certificate_independently_verified": true, + "measurement_vs_reference": "reference", + "uncertainty_definition": "standard deviation s" + }, + "source_release_arrays": null, + "uncertainty_mass_fractions": { + "O": 7e-06, + "N": 5e-06, + "H": null + }, + "matrix_family": "iron/steel", + "matrix_description": "unalloyed steel" + }, + "bam_d029_reference": { + "record_id": "bam_d029_reference", + "material_id": "bam_d029", + "name": "Unalloyed steel rolled wire D029-1", + "record_kind": "original_certificate_assigned", + "element_mass_fractions": { + "O": 0.000312, + "N": 8.3e-05, + "H": null + }, + "reported_elements": [ + "O", + "N" + ], + "input_form": "solid", + "physical_input_eligible": true, + "calibration_eligible_elements": [ + "O", + "N" + ], + "conditions": { + "instrument": "Interlaboratory certified assignment using multiple methods, not ONH836-specific", + "carrier": null, + "mass_basis": "as_received", + "minimum_source_sample_mass_kg": null, + "source_current_lot_traceability": false, + "certificate_issue_date": "1970-01", + "certificate_original_file_verified": true, + "temperature_k": null, + "preparation": "Historical rolled wire: dry turning from 10 mm to 5 mm diameter; no cooling water/oil; sample temperature below 323.15 K; clean grease-free tweezers; desiccator storage and analyze within 10800 s after preparation. Certificate does not state a minimum mass.", + "source_material_age": "Historical certificate; current physical specimen stability/lot not verified." + }, + "source": { + "source_id": "bam_d029_1" + }, + "evidence": { + "pdf_page": 1, + "locator": "Certified values on PDF page 1; original scanned page manually read where text layer is absent.", + "original_values": { + "O": 0.0312, + "N": 0.0083 + }, + "original_units": { + "O": "%", + "N": "%" + }, + "conversion": "wt % × 0.01; mass ppm or mg/kg × 1e-6 = kg(element)/kg(sample)", + "original_uncertainty": { + "O": 0.001, + "N": 0.0008 + }, + "original_certificate_independently_verified": true, + "measurement_vs_reference": "reference", + "uncertainty_definition": "standard deviation s" + }, + "source_release_arrays": null, + "uncertainty_mass_fractions": { + "O": 1e-05, + "N": 8.000000000000001e-06, + "H": null + }, + "matrix_family": "iron/steel", + "matrix_description": "unalloyed steel" + }, + "bam_d267_reference": { + "record_id": "bam_d267_reference", + "material_id": "bam_d267", + "name": "High-alloy steel 1.4310 NS, EURONORM267-1", + "record_kind": "original_certificate_assigned", + "element_mass_fractions": { + "O": 9.600000000000001e-06, + "N": 0.000266, + "H": null + }, + "reported_elements": [ + "O", + "N" + ], + "input_form": "solid", + "physical_input_eligible": true, + "calibration_eligible_elements": [ + "O", + "N" + ], + "conditions": { + "instrument": "Interlaboratory certified assignment using multiple methods, not ONH836-specific", + "carrier": null, + "mass_basis": "as_received", + "minimum_source_sample_mass_kg": null, + "source_current_lot_traceability": false, + "certificate_issue_date": "2021-06", + "certificate_original_file_verified": true, + "temperature_k": null, + "preparation": "As-supplied nominal 1 g pins (6 mm high,4 mm diameter), acetone cleaning recommended, sealed cool dry storage. Smaller fragments not validated by certificate.", + "source_sample_mass_kg": 0.001, + "source_whole_pin_required_by_host": true + }, + "source": { + "source_id": "bam_d267_1" + }, + "evidence": { + "pdf_page": 1, + "locator": "Certified values on PDF page 1; original scanned page manually read where text layer is absent.", + "original_values": { + "O": 0.00096, + "N": 0.0266 + }, + "original_units": { + "O": "%", + "N": "%" + }, + "conversion": "wt % × 0.01; mass ppm or mg/kg × 1e-6 = kg(element)/kg(sample)", + "original_uncertainty": { + "O": 9e-05, + "N": 0.0007 + }, + "original_certificate_independently_verified": true, + "measurement_vs_reference": "reference", + "uncertainty_definition": "half-width C(95%) confidence interval of laboratory means" + }, + "source_release_arrays": null, + "uncertainty_mass_fractions": { + "O": 9.000000000000001e-07, + "N": 7e-06, + "H": null + }, + "matrix_family": "iron/steel", + "matrix_description": "stainless/high alloy steel" + }, + "bam_d284_reference": { + "record_id": "bam_d284_reference", + "material_id": "bam_d284", + "name": "Stainless steel 1.4571 chips, EURONORM284-2", + "record_kind": "original_certificate_assigned", + "element_mass_fractions": { + "O": 9.900000000000001e-05, + "N": 0.000151, + "H": null + }, + "reported_elements": [ + "O", + "N" + ], + "input_form": "solid", + "physical_input_eligible": true, + "calibration_eligible_elements": [ + "O", + "N" + ], + "conditions": { + "instrument": "Interlaboratory certified assignment using multiple methods, not ONH836-specific", + "carrier": null, + "mass_basis": "as_received", + "minimum_source_sample_mass_kg": null, + "source_current_lot_traceability": false, + "certificate_issue_date": "2000-08", + "certificate_original_file_verified": true, + "temperature_k": null, + "preparation": "Fine steel chips, approximately 430 chips/g, sieved at 0.4 mm. Certified O applies only to chips, explicitly not compact discs. Cool/dry sealed storage.", + "source_certified_form": "chips" + }, + "source": { + "source_id": "bam_d284_2de" + }, + "evidence": { + "pdf_page": 1, + "locator": "Certified values on PDF page 1; original scanned page manually read where text layer is absent.", + "original_values": { + "O": 0.0099, + "N": 0.0151 + }, + "original_units": { + "O": "%", + "N": "%" + }, + "conversion": "wt % × 0.01; mass ppm or mg/kg × 1e-6 = kg(element)/kg(sample)", + "original_uncertainty": { + "O": 0.0007, + "N": 0.0002 + }, + "original_certificate_independently_verified": true, + "measurement_vs_reference": "reference", + "uncertainty_definition": "half-width C(95%) confidence interval of laboratory means" + }, + "source_release_arrays": null, + "uncertainty_mass_fractions": { + "O": 7e-06, + "N": 2.0000000000000003e-06, + "H": null + }, + "matrix_family": "iron/steel", + "matrix_description": "stainless/high alloy steel" + }, + "bam_d286_reference": { + "record_id": "bam_d286_reference", + "material_id": "bam_d286", + "name": "High-alloy steel chips 1.4305, EURONORM286-1", + "record_kind": "original_certificate_assigned", + "element_mass_fractions": { + "O": null, + "N": 0.00043, + "H": null + }, + "reported_elements": [ + "N" + ], + "input_form": "solid", + "physical_input_eligible": true, + "calibration_eligible_elements": [ + "N" + ], + "conditions": { + "instrument": "Interlaboratory certified assignment using multiple methods, not ONH836-specific", + "carrier": null, + "mass_basis": "as_received", + "minimum_source_sample_mass_kg": null, + "source_current_lot_traceability": false, + "certificate_issue_date": "1985-07", + "certificate_original_file_verified": true, + "temperature_k": null, + "preparation": "Fine chips approximately 370 chips/g, sieved at 0.5 mm. O is italic informational value 0.0315%, excluded from certified result and kept null here.", + "source_certified_form": "chips" + }, + "source": { + "source_id": "bam_d286_1" + }, + "evidence": { + "pdf_page": 1, + "locator": "Certified values on PDF page 1; original scanned page manually read where text layer is absent.", + "original_values": { + "N": 0.043 + }, + "original_units": { + "N": "%" + }, + "conversion": "wt % × 0.01; mass ppm or mg/kg × 1e-6 = kg(element)/kg(sample)", + "original_uncertainty": { + "N": 0.002 + }, + "original_certificate_independently_verified": true, + "measurement_vs_reference": "reference", + "uncertainty_definition": "standard deviation of laboratory means" + }, + "source_release_arrays": null, + "uncertainty_mass_fractions": { + "O": null, + "N": 2e-05, + "H": null + }, + "matrix_family": "iron/steel", + "matrix_description": "stainless/high alloy steel" + }, + "bam_steelh2_reference": { + "record_id": "bam_steelh2_reference", + "material_id": "bam_steelh2", + "name": "Alloyed steel 1.4546.9, CRM Steel-H2", + "record_kind": "original_certificate_assigned", + "element_mass_fractions": { + "O": null, + "N": null, + "H": 1.26e-06 + }, + "reported_elements": [ + "H" + ], + "input_form": "solid", + "physical_input_eligible": true, + "calibration_eligible_elements": [ + "H" + ], + "conditions": { + "instrument": "Interlaboratory certified assignment using multiple methods, not ONH836-specific", + "carrier": null, + "mass_basis": "as_received", + "minimum_source_sample_mass_kg": null, + "source_current_lot_traceability": false, + "certificate_issue_date": "2022-07", + "certificate_original_file_verified": true, + "temperature_k": null, + "preparation": "Nominal 1 g pins; store 277.15±2 K. Warm closed bottle to room temperature in desiccator; wash pins three times in isopropanol/acetone and dry; clean tweezers.", + "source_sample_mass_kg": 0.001, + "source_whole_pin_required_by_host": true, + "storage_temperature_k": 277.15, + "storage_temperature_tolerance_k": 2.0, + "certificate_expiry_date": "2026-12-31" + }, + "source": { + "source_id": "bam_zrm-stahl-h2de" + }, + "evidence": { + "pdf_page": 1, + "locator": "Certified values on PDF page 1; original scanned page manually read where text layer is absent.", + "original_values": { + "H": 1.26 + }, + "original_units": { + "H": "mg/kg" + }, + "conversion": "wt % × 0.01; mass ppm or mg/kg × 1e-6 = kg(element)/kg(sample)", + "original_uncertainty": { + "H": 0.07 + }, + "original_certificate_independently_verified": true, + "measurement_vs_reference": "reference", + "uncertainty_definition": "half-width C(95%) confidence interval of laboratory means" + }, + "source_release_arrays": null, + "uncertainty_mass_fractions": { + "O": null, + "N": null, + "H": 7e-08 + }, + "matrix_family": "iron/steel", + "matrix_description": "stainless/high alloy steel" + } + }, + "coverage": { + "records": 81, + "distinct_named_materials": 55, + "matrix_families": [ + "copper metal", + "iron/steel", + "tantalum metal", + "titanium hydride", + "titanium metal", + "yttrium oxide ceramic", + "zirconium metal" + ], + "matrix_family_count": 7, + "original_certificate_records": 9, + "sources": 17, + "physical_input_records": 81, + "complete_onh_records": 18, + "measured_records": 46, + "reference_records": 35, + "electronic_measured_release_arrays": 0, + "distinct_molecular_chemical_identities": null, + "material_target": 50, + "material_gap": 0 + }, + "limitations": [ + "Reference materials / grades are counted by material identity, not by lot, repeat assay, carrier gas, or measured-versus-assigned record.", + "Elemental O/N/H bulk contents do not identify molecular species or speciation. Unreported elements are null.", + "No source electronic release arrays or detector time traces are available. Runtime traces are conditional synthetic signals.", + "Application-note quoted certificate values are not independently verified original certificates or current physical lot traceability." + ] +} diff --git a/assets/expansion_batch04/t3_analytical/milestone_dma80/meshes/milestone_dma80__body.mtl b/assets/expansion_batch04/t3_analytical/milestone_dma80/meshes/milestone_dma80__body.mtl new file mode 100644 index 0000000000000000000000000000000000000000..dcf3f28341347bd1873d490ce9b8125b3d3e0331 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/milestone_dma80/meshes/milestone_dma80__body.mtl @@ -0,0 +1,6 @@ +newmtl milestone_dma80__body +Kd 0.8300 0.8450 0.8600 +Ka 0 0 0 +Ks 0.05 0.05 0.05 +Ns 20 +d 1 diff --git a/assets/expansion_batch04/t3_analytical/milestone_dma80/meshes/milestone_dma80__body.obj b/assets/expansion_batch04/t3_analytical/milestone_dma80/meshes/milestone_dma80__body.obj new file mode 100644 index 0000000000000000000000000000000000000000..2faea35d9a958eaca46f873e9648c338b17faa4e --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/milestone_dma80/meshes/milestone_dma80__body.obj @@ -0,0 +1,24 @@ +mtllib milestone_dma80__body.mtl +usemtl milestone_dma80__body +# https://github.com/mikedh/trimesh +v -0.40000000 -0.21000000 0.02800000 +v -0.40000000 -0.21000000 0.05000000 +v -0.40000000 0.21000000 0.02800000 +v -0.40000000 0.21000000 0.05000000 +v 0.40000000 -0.21000000 0.02800000 +v 0.40000000 -0.21000000 0.05000000 +v 0.40000000 0.21000000 0.02800000 +v 0.40000000 0.21000000 0.05000000 +f 2 4 1 +f 5 2 1 +f 1 4 3 +f 3 5 1 +f 2 8 4 +f 6 2 5 +f 6 8 2 +f 4 8 3 +f 7 5 3 +f 3 8 7 +f 7 6 5 +f 8 6 7 + diff --git a/assets/expansion_batch04/t3_analytical/milestone_dma80/meshes/milestone_dma80__foot_0.obj b/assets/expansion_batch04/t3_analytical/milestone_dma80/meshes/milestone_dma80__foot_0.obj new file mode 100644 index 0000000000000000000000000000000000000000..be8e0ca341445517bc1d3536b0af869faaea7e07 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/milestone_dma80/meshes/milestone_dma80__foot_0.obj @@ -0,0 +1,294 @@ +mtllib milestone_dma80__foot_0.mtl +usemtl milestone_dma80__foot_0 +# https://github.com/mikedh/trimesh +v 0.00000000 0.00000000 -0.01400000 +v 0.01900000 0.00000000 -0.01400000 +v 0.01900000 0.00000000 0.01400000 +v 0.00000000 0.00000000 0.01400000 +v 0.01883745 0.00248000 -0.01400000 +v 0.01883745 0.00248000 0.01400000 +v 0.01835259 0.00491756 -0.01400000 +v 0.01835259 0.00491756 0.01400000 +v 0.01755371 0.00727099 -0.01400000 +v 0.01755371 0.00727099 0.01400000 +v 0.01645448 0.00950000 -0.01400000 +v 0.01645448 0.00950000 0.01400000 +v 0.01507371 0.01156647 -0.01400000 +v 0.01507371 0.01156647 0.01400000 +v 0.01343503 0.01343503 -0.01400000 +v 0.01343503 0.01343503 0.01400000 +v 0.01156647 0.01507371 -0.01400000 +v 0.01156647 0.01507371 0.01400000 +v 0.00950000 0.01645448 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a/assets/expansion_batch04/t3_analytical/stanford_rga100/meshes/stanford_rga100__case_seam_left_0.mtl b/assets/expansion_batch04/t3_analytical/stanford_rga100/meshes/stanford_rga100__case_seam_left_0.mtl new file mode 100644 index 0000000000000000000000000000000000000000..e31a0b8adcb77f19b5d14db6635d4523e4398503 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/stanford_rga100/meshes/stanford_rga100__case_seam_left_0.mtl @@ -0,0 +1,6 @@ +newmtl stanford_rga100__case_seam_left_0 +Kd 0.1200 0.1300 0.1400 +Ka 0 0 0 +Ks 0.05 0.05 0.05 +Ns 20 +d 1 diff --git a/assets/expansion_batch04/t3_analytical/stanford_rga100/meshes/stanford_rga100__case_seam_left_0.obj b/assets/expansion_batch04/t3_analytical/stanford_rga100/meshes/stanford_rga100__case_seam_left_0.obj new file mode 100644 index 0000000000000000000000000000000000000000..0b773ba744523a00a0d6e726de37e025fba72550 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/stanford_rga100/meshes/stanford_rga100__case_seam_left_0.obj @@ -0,0 +1,24 @@ +mtllib stanford_rga100__case_seam_left_0.mtl +usemtl stanford_rga100__case_seam_left_0 +# https://github.com/mikedh/trimesh +v -0.00010000 -0.06050000 -0.00200000 +v -0.00010000 -0.06050000 0.00200000 +v -0.00010000 0.06050000 -0.00200000 +v -0.00010000 0.06050000 0.00200000 +v 0.00010000 -0.06050000 -0.00200000 +v 0.00010000 -0.06050000 0.00200000 +v 0.00010000 0.06050000 -0.00200000 +v 0.00010000 0.06050000 0.00200000 +f 2 4 1 +f 5 2 1 +f 1 4 3 +f 3 5 1 +f 2 8 4 +f 6 2 5 +f 6 8 2 +f 4 8 3 +f 7 5 3 +f 3 8 7 +f 7 6 5 +f 8 6 7 + diff --git a/assets/expansion_batch04/t3_analytical/stanford_rga100/meshes/stanford_rga100__case_seam_left_1.mtl b/assets/expansion_batch04/t3_analytical/stanford_rga100/meshes/stanford_rga100__case_seam_left_1.mtl new file mode 100644 index 0000000000000000000000000000000000000000..58d6c5e354f44ab69ce45f5e3cb2b35a9717aef0 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/stanford_rga100/meshes/stanford_rga100__case_seam_left_1.mtl @@ -0,0 +1,6 @@ +newmtl stanford_rga100__case_seam_left_1 +Kd 0.1200 0.1300 0.1400 +Ka 0 0 0 +Ks 0.05 0.05 0.05 +Ns 20 +d 1 diff --git a/assets/expansion_batch04/t3_analytical/stanford_rga100/meshes/stanford_rga100__case_seam_left_1.obj b/assets/expansion_batch04/t3_analytical/stanford_rga100/meshes/stanford_rga100__case_seam_left_1.obj new file mode 100644 index 0000000000000000000000000000000000000000..a934fdb1858d96771a07f4a2436a19c9bd829eae --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/stanford_rga100/meshes/stanford_rga100__case_seam_left_1.obj @@ -0,0 +1,24 @@ +mtllib stanford_rga100__case_seam_left_1.mtl +usemtl stanford_rga100__case_seam_left_1 +# https://github.com/mikedh/trimesh +v -0.00010000 -0.05500000 -0.00200000 +v -0.00010000 -0.05500000 0.00200000 +v -0.00010000 0.05500000 -0.00200000 +v -0.00010000 0.05500000 0.00200000 +v 0.00010000 -0.05500000 -0.00200000 +v 0.00010000 -0.05500000 0.00200000 +v 0.00010000 0.05500000 -0.00200000 +v 0.00010000 0.05500000 0.00200000 +f 2 4 1 +f 5 2 1 +f 1 4 3 +f 3 5 1 +f 2 8 4 +f 6 2 5 +f 6 8 2 +f 4 8 3 +f 7 5 3 +f 3 8 7 +f 7 6 5 +f 8 6 7 + diff --git a/assets/expansion_batch04/t3_analytical/stanford_rga100/meshes/stanford_rga100__case_seam_right_0.mtl b/assets/expansion_batch04/t3_analytical/stanford_rga100/meshes/stanford_rga100__case_seam_right_0.mtl new file mode 100644 index 0000000000000000000000000000000000000000..749daba3c6e20afe9153766b7a21fa69c638fb50 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/stanford_rga100/meshes/stanford_rga100__case_seam_right_0.mtl @@ -0,0 +1,6 @@ +newmtl stanford_rga100__case_seam_right_0 +Kd 0.1200 0.1300 0.1400 +Ka 0 0 0 +Ks 0.05 0.05 0.05 +Ns 20 +d 1 diff --git a/assets/expansion_batch04/t3_analytical/stanford_rga100/meshes/stanford_rga100__case_seam_right_0.obj b/assets/expansion_batch04/t3_analytical/stanford_rga100/meshes/stanford_rga100__case_seam_right_0.obj new file mode 100644 index 0000000000000000000000000000000000000000..7f92e4690615acb8469005f457a629a8959f6d30 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/stanford_rga100/meshes/stanford_rga100__case_seam_right_0.obj @@ -0,0 +1,24 @@ +mtllib stanford_rga100__case_seam_right_0.mtl +usemtl stanford_rga100__case_seam_right_0 +# https://github.com/mikedh/trimesh +v -0.00010000 -0.06050000 -0.00200000 +v -0.00010000 -0.06050000 0.00200000 +v -0.00010000 0.06050000 -0.00200000 +v -0.00010000 0.06050000 0.00200000 +v 0.00010000 -0.06050000 -0.00200000 +v 0.00010000 -0.06050000 0.00200000 +v 0.00010000 0.06050000 -0.00200000 +v 0.00010000 0.06050000 0.00200000 +f 2 4 1 +f 5 2 1 +f 1 4 3 +f 3 5 1 +f 2 8 4 +f 6 2 5 +f 6 8 2 +f 4 8 3 +f 7 5 3 +f 3 8 7 +f 7 6 5 +f 8 6 7 + diff --git a/assets/expansion_batch04/t3_analytical/stanford_rga100/meshes/stanford_rga100__case_seam_right_1.mtl b/assets/expansion_batch04/t3_analytical/stanford_rga100/meshes/stanford_rga100__case_seam_right_1.mtl new file mode 100644 index 0000000000000000000000000000000000000000..9d76f507c15001d14caefb1b10fcae8f203f00c2 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/stanford_rga100/meshes/stanford_rga100__case_seam_right_1.mtl @@ -0,0 +1,6 @@ +newmtl stanford_rga100__case_seam_right_1 +Kd 0.1200 0.1300 0.1400 +Ka 0 0 0 +Ks 0.05 0.05 0.05 +Ns 20 +d 1 diff --git a/assets/expansion_batch04/t3_analytical/stanford_rga100/meshes/stanford_rga100__case_seam_right_1.obj b/assets/expansion_batch04/t3_analytical/stanford_rga100/meshes/stanford_rga100__case_seam_right_1.obj new file mode 100644 index 0000000000000000000000000000000000000000..85a92ae900e6300343aba69ad489d16a1562fff3 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/stanford_rga100/meshes/stanford_rga100__case_seam_right_1.obj @@ -0,0 +1,24 @@ +mtllib stanford_rga100__case_seam_right_1.mtl +usemtl stanford_rga100__case_seam_right_1 +# https://github.com/mikedh/trimesh +v -0.00010000 -0.05500000 -0.00200000 +v -0.00010000 -0.05500000 0.00200000 +v -0.00010000 0.05500000 -0.00200000 +v -0.00010000 0.05500000 0.00200000 +v 0.00010000 -0.05500000 -0.00200000 +v 0.00010000 -0.05500000 0.00200000 +v 0.00010000 0.05500000 -0.00200000 +v 0.00010000 0.05500000 0.00200000 +f 2 4 1 +f 5 2 1 +f 1 4 3 +f 3 5 1 +f 2 8 4 +f 6 2 5 +f 6 8 2 +f 4 8 3 +f 7 5 3 +f 3 8 7 +f 7 6 5 +f 8 6 7 + diff --git a/assets/expansion_batch04/t3_analytical/stanford_rga100/meshes/stanford_rga100__coax_signal_pin.mtl b/assets/expansion_batch04/t3_analytical/stanford_rga100/meshes/stanford_rga100__coax_signal_pin.mtl new file mode 100644 index 0000000000000000000000000000000000000000..8ce241b8476535074cee7ea3dd8c6584bb8f5649 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/stanford_rga100/meshes/stanford_rga100__coax_signal_pin.mtl @@ -0,0 +1,6 @@ +newmtl stanford_rga100__coax_signal_pin +Kd 0.6000 0.6400 0.6700 +Ka 0 0 0 +Ks 0.05 0.05 0.05 +Ns 20 +d 1 diff --git a/assets/expansion_batch04/t3_analytical/stanford_rga100/meshes/stanford_rga100__coax_signal_pin.obj b/assets/expansion_batch04/t3_analytical/stanford_rga100/meshes/stanford_rga100__coax_signal_pin.obj new file mode 100644 index 0000000000000000000000000000000000000000..610799e7ac9bc45e5b6373794bd5ec4a2870df9d --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/stanford_rga100/meshes/stanford_rga100__coax_signal_pin.obj @@ -0,0 +1,294 @@ +mtllib stanford_rga100__coax_signal_pin.mtl +usemtl stanford_rga100__coax_signal_pin +# https://github.com/mikedh/trimesh +v 0.00000000 0.00900000 -0.00000000 +v 0.00100000 0.00900000 -0.00000000 +v 0.00100000 -0.00900000 0.00000000 +v 0.00000000 -0.00900000 0.00000000 +v 0.00099144 0.00900000 0.00013053 +v 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0.00900000 -0.00079335 +v 0.00060876 -0.00900000 -0.00079335 +v 0.00070711 0.00900000 -0.00070711 +v 0.00070711 -0.00900000 -0.00070711 +v 0.00079335 0.00900000 -0.00060876 +v 0.00079335 -0.00900000 -0.00060876 +v 0.00086603 0.00900000 -0.00050000 +v 0.00086603 -0.00900000 -0.00050000 +v 0.00092388 0.00900000 -0.00038268 +v 0.00092388 -0.00900000 -0.00038268 +v 0.00096593 0.00900000 -0.00025882 +v 0.00096593 -0.00900000 -0.00025882 +v 0.00099144 0.00900000 -0.00013053 +v 0.00099144 -0.00900000 -0.00013053 +f 2 1 5 +f 2 5 3 +f 3 5 6 +f 3 6 4 +f 5 1 7 +f 5 7 6 +f 6 7 8 +f 6 8 4 +f 7 1 9 +f 7 9 8 +f 8 9 10 +f 8 10 4 +f 9 1 11 +f 9 11 10 +f 10 11 12 +f 10 12 4 +f 11 1 13 +f 11 13 12 +f 12 13 14 +f 12 14 4 +f 13 1 15 +f 13 15 14 +f 14 15 16 +f 14 16 4 +f 15 1 17 +f 15 17 16 +f 16 17 18 +f 16 18 4 +f 17 1 19 +f 17 19 18 +f 18 19 20 +f 18 20 4 +f 19 1 21 +f 19 21 20 +f 20 21 22 +f 20 22 4 +f 21 1 23 +f 21 23 22 +f 22 23 24 +f 22 24 4 +f 23 1 25 +f 23 25 24 +f 24 25 26 +f 24 26 4 +f 25 1 27 +f 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b/assets/expansion_batch04/t3_analytical/stanford_rga100/meshes/stanford_rga100__display_current.mtl @@ -0,0 +1,6 @@ +newmtl stanford_rga100__display_current +Kd 0.0700 0.4300 0.2400 +Ka 0 0 0 +Ks 0.05 0.05 0.05 +Ns 20 +d 1 diff --git a/assets/expansion_batch04/t3_analytical/stanford_rga100/meshes/stanford_rga100__display_current.obj b/assets/expansion_batch04/t3_analytical/stanford_rga100/meshes/stanford_rga100__display_current.obj new file mode 100644 index 0000000000000000000000000000000000000000..61bad413ee4cfbddbc933a2c0a87e6a3f50a0159 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/stanford_rga100/meshes/stanford_rga100__display_current.obj @@ -0,0 +1,24 @@ +mtllib stanford_rga100__display_current.mtl +usemtl stanford_rga100__display_current +# https://github.com/mikedh/trimesh +v -0.02750000 -0.00050000 -0.00400000 +v -0.02750000 -0.00050000 0.00400000 +v -0.02750000 0.00050000 -0.00400000 +v -0.02750000 0.00050000 0.00400000 +v 0.02750000 -0.00050000 -0.00400000 +v 0.02750000 -0.00050000 0.00400000 +v 0.02750000 0.00050000 -0.00400000 +v 0.02750000 0.00050000 0.00400000 +f 2 4 1 +f 5 2 1 +f 1 4 3 +f 3 5 1 +f 2 8 4 +f 6 2 5 +f 6 8 2 +f 4 8 3 +f 7 5 3 +f 3 8 7 +f 7 6 5 +f 8 6 7 + diff --git a/assets/expansion_batch04/t3_analytical/stanford_rga100/meshes/stanford_rga100__display_emission.mtl b/assets/expansion_batch04/t3_analytical/stanford_rga100/meshes/stanford_rga100__display_emission.mtl new file mode 100644 index 0000000000000000000000000000000000000000..c0f003f5a28a939dba0b2406ba1615235e57c1b9 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/stanford_rga100/meshes/stanford_rga100__display_emission.mtl @@ -0,0 +1,6 @@ +newmtl stanford_rga100__display_emission +Kd 0.0700 0.4300 0.2400 +Ka 0 0 0 +Ks 0.05 0.05 0.05 +Ns 20 +d 1 diff --git a/assets/expansion_batch04/t3_analytical/stanford_rga100/meshes/stanford_rga100__display_emission.obj b/assets/expansion_batch04/t3_analytical/stanford_rga100/meshes/stanford_rga100__display_emission.obj new file mode 100644 index 0000000000000000000000000000000000000000..dd19f1b03a3302a4737d460ccaec25226997e517 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/stanford_rga100/meshes/stanford_rga100__display_emission.obj @@ -0,0 +1,24 @@ +mtllib stanford_rga100__display_emission.mtl +usemtl stanford_rga100__display_emission +# https://github.com/mikedh/trimesh +v -0.02750000 -0.00050000 -0.00400000 +v -0.02750000 -0.00050000 0.00400000 +v -0.02750000 0.00050000 -0.00400000 +v -0.02750000 0.00050000 0.00400000 +v 0.02750000 -0.00050000 -0.00400000 +v 0.02750000 -0.00050000 0.00400000 +v 0.02750000 0.00050000 -0.00400000 +v 0.02750000 0.00050000 0.00400000 +f 2 4 1 +f 5 2 1 +f 1 4 3 +f 3 5 1 +f 2 8 4 +f 6 2 5 +f 6 8 2 +f 4 8 3 +f 7 5 3 +f 3 8 7 +f 7 6 5 +f 8 6 7 + diff --git a/assets/expansion_batch04/t3_analytical/stanford_rga100/meshes/stanford_rga100__display_mass.mtl b/assets/expansion_batch04/t3_analytical/stanford_rga100/meshes/stanford_rga100__display_mass.mtl new file mode 100644 index 0000000000000000000000000000000000000000..098f176c2e43b13743deb4f56aceb02c7ce63207 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/stanford_rga100/meshes/stanford_rga100__display_mass.mtl @@ -0,0 +1,6 @@ +newmtl stanford_rga100__display_mass +Kd 0.0700 0.4300 0.2400 +Ka 0 0 0 +Ks 0.05 0.05 0.05 +Ns 20 +d 1 diff --git a/assets/expansion_batch04/t3_analytical/stanford_rga100/meshes/stanford_rga100__display_mass.obj b/assets/expansion_batch04/t3_analytical/stanford_rga100/meshes/stanford_rga100__display_mass.obj new file mode 100644 index 0000000000000000000000000000000000000000..dbed42d51cfc2fdb90565c7a57248b5461af8c56 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/stanford_rga100/meshes/stanford_rga100__display_mass.obj @@ -0,0 +1,24 @@ +mtllib stanford_rga100__display_mass.mtl +usemtl stanford_rga100__display_mass +# https://github.com/mikedh/trimesh +v -0.02750000 -0.00050000 -0.00400000 +v -0.02750000 -0.00050000 0.00400000 +v -0.02750000 0.00050000 -0.00400000 +v -0.02750000 0.00050000 0.00400000 +v 0.02750000 -0.00050000 -0.00400000 +v 0.02750000 -0.00050000 0.00400000 +v 0.02750000 0.00050000 -0.00400000 +v 0.02750000 0.00050000 0.00400000 +f 2 4 1 +f 5 2 1 +f 1 4 3 +f 3 5 1 +f 2 8 4 +f 6 2 5 +f 6 8 2 +f 4 8 3 +f 7 5 3 +f 3 8 7 +f 7 6 5 +f 8 6 7 + diff --git a/assets/expansion_batch04/t3_analytical/stanford_rga100/meshes/stanford_rga100__display_panel.mtl b/assets/expansion_batch04/t3_analytical/stanford_rga100/meshes/stanford_rga100__display_panel.mtl new file mode 100644 index 0000000000000000000000000000000000000000..e5c0eeb4c4b008c7506db44cab7e9e1a1ca99bcb --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/stanford_rga100/meshes/stanford_rga100__display_panel.mtl @@ -0,0 +1,6 @@ +newmtl stanford_rga100__display_panel +Kd 0.1200 0.1300 0.1400 +Ka 0 0 0 +Ks 0.05 0.05 0.05 +Ns 20 +d 1 diff --git a/assets/expansion_batch04/t3_analytical/stanford_rga100/meshes/stanford_rga100__display_panel.obj b/assets/expansion_batch04/t3_analytical/stanford_rga100/meshes/stanford_rga100__display_panel.obj new file mode 100644 index 0000000000000000000000000000000000000000..31748fe152489240d3df6c5dd42f1c778d52fbfc --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/stanford_rga100/meshes/stanford_rga100__display_panel.obj @@ -0,0 +1,24 @@ +mtllib stanford_rga100__display_panel.mtl +usemtl stanford_rga100__display_panel +# https://github.com/mikedh/trimesh +v -0.03000000 -0.00300000 -0.03500000 +v -0.03000000 -0.00300000 0.03500000 +v -0.03000000 0.00300000 -0.03500000 +v -0.03000000 0.00300000 0.03500000 +v 0.03000000 -0.00300000 -0.03500000 +v 0.03000000 -0.00300000 0.03500000 +v 0.03000000 0.00300000 -0.03500000 +v 0.03000000 0.00300000 0.03500000 +f 2 4 1 +f 5 2 1 +f 1 4 3 +f 3 5 1 +f 2 8 4 +f 6 2 5 +f 6 8 2 +f 4 8 3 +f 7 5 3 +f 3 8 7 +f 7 6 5 +f 8 6 7 + diff --git a/assets/expansion_batch04/t3_analytical/stanford_rga100/meshes/stanford_rga100__display_progress.mtl b/assets/expansion_batch04/t3_analytical/stanford_rga100/meshes/stanford_rga100__display_progress.mtl new file mode 100644 index 0000000000000000000000000000000000000000..e7b128d457a9396342f67a5ab4ff6ef35b52f84b --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/stanford_rga100/meshes/stanford_rga100__display_progress.mtl @@ -0,0 +1,6 @@ +newmtl stanford_rga100__display_progress +Kd 0.0700 0.4300 0.2400 +Ka 0 0 0 +Ks 0.05 0.05 0.05 +Ns 20 +d 1 diff --git a/assets/expansion_batch04/t3_analytical/stanford_rga100/meshes/stanford_rga100__display_progress.obj b/assets/expansion_batch04/t3_analytical/stanford_rga100/meshes/stanford_rga100__display_progress.obj new file mode 100644 index 0000000000000000000000000000000000000000..27c8c7522b4b38e6086cd38cdf9ecd860ea72835 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/stanford_rga100/meshes/stanford_rga100__display_progress.obj @@ -0,0 +1,24 @@ +mtllib stanford_rga100__display_progress.mtl +usemtl stanford_rga100__display_progress +# https://github.com/mikedh/trimesh +v -0.02750000 -0.00050000 -0.00400000 +v -0.02750000 -0.00050000 0.00400000 +v -0.02750000 0.00050000 -0.00400000 +v -0.02750000 0.00050000 0.00400000 +v 0.02750000 -0.00050000 -0.00400000 +v 0.02750000 -0.00050000 0.00400000 +v 0.02750000 0.00050000 -0.00400000 +v 0.02750000 0.00050000 0.00400000 +f 2 4 1 +f 5 2 1 +f 1 4 3 +f 3 5 1 +f 2 8 4 +f 6 2 5 +f 6 8 2 +f 4 8 3 +f 7 5 3 +f 3 8 7 +f 7 6 5 +f 8 6 7 + diff --git a/assets/expansion_batch04/t3_analytical/stanford_rga100/meshes/stanford_rga100__display_total.mtl b/assets/expansion_batch04/t3_analytical/stanford_rga100/meshes/stanford_rga100__display_total.mtl new file mode 100644 index 0000000000000000000000000000000000000000..903853dca5f305daf6145c8b3ae85707b2064141 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/stanford_rga100/meshes/stanford_rga100__display_total.mtl @@ -0,0 +1,6 @@ +newmtl stanford_rga100__display_total +Kd 0.0700 0.4300 0.2400 +Ka 0 0 0 +Ks 0.05 0.05 0.05 +Ns 20 +d 1 diff --git a/assets/expansion_batch04/t3_analytical/stanford_rga100/meshes/stanford_rga100__display_total.obj b/assets/expansion_batch04/t3_analytical/stanford_rga100/meshes/stanford_rga100__display_total.obj new file mode 100644 index 0000000000000000000000000000000000000000..1459051082bda9a3b4954afc6ff9e001ed5f065f --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/stanford_rga100/meshes/stanford_rga100__display_total.obj @@ -0,0 +1,24 @@ +mtllib stanford_rga100__display_total.mtl +usemtl stanford_rga100__display_total +# https://github.com/mikedh/trimesh +v -0.02750000 -0.00050000 -0.00400000 +v -0.02750000 -0.00050000 0.00400000 +v -0.02750000 0.00050000 -0.00400000 +v -0.02750000 0.00050000 0.00400000 +v 0.02750000 -0.00050000 -0.00400000 +v 0.02750000 -0.00050000 0.00400000 +v 0.02750000 0.00050000 -0.00400000 +v 0.02750000 0.00050000 0.00400000 +f 2 4 1 +f 5 2 1 +f 1 4 3 +f 3 5 1 +f 2 8 4 +f 6 2 5 +f 6 8 2 +f 4 8 3 +f 7 5 3 +f 3 8 7 +f 7 6 5 +f 8 6 7 + diff --git a/assets/expansion_batch04/t3_analytical/stanford_rga100/meshes/stanford_rga100__display_vacuum.mtl b/assets/expansion_batch04/t3_analytical/stanford_rga100/meshes/stanford_rga100__display_vacuum.mtl new file mode 100644 index 0000000000000000000000000000000000000000..a07b1f92858b7caf9ac522c46d6ac468ca426f92 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/stanford_rga100/meshes/stanford_rga100__display_vacuum.mtl @@ -0,0 +1,6 @@ +newmtl stanford_rga100__display_vacuum +Kd 0.0700 0.4300 0.2400 +Ka 0 0 0 +Ks 0.05 0.05 0.05 +Ns 20 +d 1 diff --git a/assets/expansion_batch04/t3_analytical/stanford_rga100/meshes/stanford_rga100__display_vacuum.obj b/assets/expansion_batch04/t3_analytical/stanford_rga100/meshes/stanford_rga100__display_vacuum.obj new file mode 100644 index 0000000000000000000000000000000000000000..edd222444dfa6ee0cb902c1a8661aa9d70642ecd --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/stanford_rga100/meshes/stanford_rga100__display_vacuum.obj @@ -0,0 +1,24 @@ +mtllib stanford_rga100__display_vacuum.mtl +usemtl stanford_rga100__display_vacuum +# https://github.com/mikedh/trimesh +v -0.02750000 -0.00050000 -0.00400000 +v -0.02750000 -0.00050000 0.00400000 +v -0.02750000 0.00050000 -0.00400000 +v -0.02750000 0.00050000 0.00400000 +v 0.02750000 -0.00050000 -0.00400000 +v 0.02750000 -0.00050000 0.00400000 +v 0.02750000 0.00050000 -0.00400000 +v 0.02750000 0.00050000 0.00400000 +f 2 4 1 +f 5 2 1 +f 1 4 3 +f 3 5 1 +f 2 8 4 +f 6 2 5 +f 6 8 2 +f 4 8 3 +f 7 5 3 +f 3 8 7 +f 7 6 5 +f 8 6 7 + diff --git a/assets/expansion_batch04/t3_analytical/stanford_rga100/meshes/stanford_rga100__ecu_probe_connector.mtl b/assets/expansion_batch04/t3_analytical/stanford_rga100/meshes/stanford_rga100__ecu_probe_connector.mtl new file mode 100644 index 0000000000000000000000000000000000000000..d477d4edcb40fa4b7cd4202a7838aaa87ae88a3f --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/stanford_rga100/meshes/stanford_rga100__ecu_probe_connector.mtl @@ -0,0 +1,6 @@ +newmtl stanford_rga100__ecu_probe_connector +Kd 0.8800 0.8700 0.8000 +Ka 0 0 0 +Ks 0.05 0.05 0.05 +Ns 20 +d 1 diff --git a/assets/expansion_batch04/t3_analytical/stanford_rga100/meshes/stanford_rga100__ecu_probe_connector.obj b/assets/expansion_batch04/t3_analytical/stanford_rga100/meshes/stanford_rga100__ecu_probe_connector.obj new file mode 100644 index 0000000000000000000000000000000000000000..9b35a8ffc07afa65b0b1d79e0b4cbcba4ab052d0 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/stanford_rga100/meshes/stanford_rga100__ecu_probe_connector.obj @@ -0,0 +1,772 @@ +mtllib stanford_rga100__ecu_probe_connector.mtl +usemtl stanford_rga100__ecu_probe_connector +# https://github.com/mikedh/trimesh +v 0.00100000 0.00000000 -0.00600000 +v 0.00400000 0.00000000 -0.00600000 +v 0.00400000 0.00000000 0.00600000 +v 0.00100000 0.00000000 0.00600000 +v 0.00099518 0.00009802 -0.00600000 +v 0.00398074 0.00039207 -0.00600000 +v 0.00398074 0.00039207 0.00600000 +v 0.00099518 0.00009802 0.00600000 +v 0.00098079 0.00019509 -0.00600000 +v 0.00392314 0.00078036 -0.00600000 +v 0.00392314 0.00078036 0.00600000 +v 0.00098079 0.00019509 0.00600000 +v 0.00095694 0.00029028 -0.00600000 +v 0.00382776 0.00116114 -0.00600000 +v 0.00382776 0.00116114 0.00600000 +v 0.00095694 0.00029028 0.00600000 +v 0.00092388 0.00038268 -0.00600000 +v 0.00369552 0.00153073 -0.00600000 +v 0.00369552 0.00153073 0.00600000 +v 0.00092388 0.00038268 0.00600000 +v 0.00088192 0.00047140 -0.00600000 +v 0.00352769 0.00188559 -0.00600000 +v 0.00352769 0.00188559 0.00600000 +v 0.00088192 0.00047140 0.00600000 +v 0.00083147 0.00055557 -0.00600000 +v 0.00332588 0.00222228 -0.00600000 +v 0.00332588 0.00222228 0.00600000 +v 0.00083147 0.00055557 0.00600000 +v 0.00077301 0.00063439 -0.00600000 +v 0.00309204 0.00253757 -0.00600000 +v 0.00309204 0.00253757 0.00600000 +v 0.00077301 0.00063439 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a/assets/expansion_batch04/t3_analytical/stanford_rga100/meshes/stanford_rga100__feedthrough_pin_3.obj b/assets/expansion_batch04/t3_analytical/stanford_rga100/meshes/stanford_rga100__feedthrough_pin_3.obj new file mode 100644 index 0000000000000000000000000000000000000000..61eacd190d16138561793fa7a2fd51dc59424af6 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/stanford_rga100/meshes/stanford_rga100__feedthrough_pin_3.obj @@ -0,0 +1,294 @@ +mtllib stanford_rga100__feedthrough_pin_3.mtl +usemtl stanford_rga100__feedthrough_pin_3 +# https://github.com/mikedh/trimesh +v 0.00000000 0.01000000 -0.00000000 +v 0.00080000 0.01000000 -0.00000000 +v 0.00080000 -0.01000000 0.00000000 +v 0.00000000 -0.01000000 0.00000000 +v 0.00079316 0.01000000 0.00010442 +v 0.00079316 -0.01000000 0.00010442 +v 0.00077274 0.01000000 0.00020706 +v 0.00077274 -0.01000000 0.00020706 +v 0.00073910 0.01000000 0.00030615 +v 0.00073910 -0.01000000 0.00030615 +v 0.00069282 0.01000000 0.00040000 +v 0.00069282 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stanford_rga100__feedthrough_pin_7 +Kd 0.6000 0.6400 0.6700 +Ka 0 0 0 +Ks 0.05 0.05 0.05 +Ns 20 +d 1 diff --git a/assets/expansion_batch04/t3_analytical/stanford_rga100/meshes/stanford_rga100__feedthrough_pin_7.obj b/assets/expansion_batch04/t3_analytical/stanford_rga100/meshes/stanford_rga100__feedthrough_pin_7.obj new file mode 100644 index 0000000000000000000000000000000000000000..63ce0a747f090a9a8f8dbe2457b7f2cecccf012d --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/stanford_rga100/meshes/stanford_rga100__feedthrough_pin_7.obj @@ -0,0 +1,294 @@ +mtllib stanford_rga100__feedthrough_pin_7.mtl +usemtl stanford_rga100__feedthrough_pin_7 +# https://github.com/mikedh/trimesh +v 0.00000000 0.01000000 -0.00000000 +v 0.00080000 0.01000000 -0.00000000 +v 0.00080000 -0.01000000 0.00000000 +v 0.00000000 -0.01000000 0.00000000 +v 0.00079316 0.01000000 0.00010442 +v 0.00079316 -0.01000000 0.00010442 +v 0.00077274 0.01000000 0.00020706 +v 0.00077274 -0.01000000 0.00020706 +v 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a/assets/expansion_batch04/t3_analytical/stanford_rga100/meshes/stanford_rga100__host_base_crossrail.obj b/assets/expansion_batch04/t3_analytical/stanford_rga100/meshes/stanford_rga100__host_base_crossrail.obj new file mode 100644 index 0000000000000000000000000000000000000000..f1049f76dc649856eec70a5d82bd81eb95618c3f --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/stanford_rga100/meshes/stanford_rga100__host_base_crossrail.obj @@ -0,0 +1,24 @@ +mtllib stanford_rga100__host_base_crossrail.mtl +usemtl stanford_rga100__host_base_crossrail +# https://github.com/mikedh/trimesh +v -0.08000000 -0.02500000 -0.00900000 +v -0.08000000 -0.02500000 0.00900000 +v -0.08000000 0.02500000 -0.00900000 +v -0.08000000 0.02500000 0.00900000 +v 0.08000000 -0.02500000 -0.00900000 +v 0.08000000 -0.02500000 0.00900000 +v 0.08000000 0.02500000 -0.00900000 +v 0.08000000 0.02500000 0.00900000 +f 2 4 1 +f 5 2 1 +f 1 4 3 +f 3 5 1 +f 2 8 4 +f 6 2 5 +f 6 8 2 +f 4 8 3 +f 7 5 3 +f 3 8 7 +f 7 6 5 +f 8 6 7 + diff --git a/assets/expansion_batch04/t3_analytical/stanford_rga100/meshes/stanford_rga100__host_base_rail_0.mtl b/assets/expansion_batch04/t3_analytical/stanford_rga100/meshes/stanford_rga100__host_base_rail_0.mtl new file mode 100644 index 0000000000000000000000000000000000000000..cc2b0810222d7c73a629110c3292dbe51fd0db9b --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/stanford_rga100/meshes/stanford_rga100__host_base_rail_0.mtl @@ -0,0 +1,6 @@ +newmtl stanford_rga100__host_base_rail_0 +Kd 0.1200 0.1300 0.1400 +Ka 0 0 0 +Ks 0.05 0.05 0.05 +Ns 20 +d 1 diff --git a/assets/expansion_batch04/t3_analytical/stanford_rga100/meshes/stanford_rga100__host_base_rail_0.obj b/assets/expansion_batch04/t3_analytical/stanford_rga100/meshes/stanford_rga100__host_base_rail_0.obj new file mode 100644 index 0000000000000000000000000000000000000000..227539b54cbc63e77c24c1cf2222fbaba363ee92 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/stanford_rga100/meshes/stanford_rga100__host_base_rail_0.obj @@ -0,0 +1,24 @@ +mtllib stanford_rga100__host_base_rail_0.mtl +usemtl stanford_rga100__host_base_rail_0 +# https://github.com/mikedh/trimesh +v -0.00500000 -0.27500000 -0.00900000 +v -0.00500000 -0.27500000 0.00900000 +v -0.00500000 0.27500000 -0.00900000 +v -0.00500000 0.27500000 0.00900000 +v 0.00500000 -0.27500000 -0.00900000 +v 0.00500000 -0.27500000 0.00900000 +v 0.00500000 0.27500000 -0.00900000 +v 0.00500000 0.27500000 0.00900000 +f 2 4 1 +f 5 2 1 +f 1 4 3 +f 3 5 1 +f 2 8 4 +f 6 2 5 +f 6 8 2 +f 4 8 3 +f 7 5 3 +f 3 8 7 +f 7 6 5 +f 8 6 7 + diff --git a/assets/expansion_batch04/t3_analytical/stanford_rga100/meshes/stanford_rga100__host_base_rail_1.mtl b/assets/expansion_batch04/t3_analytical/stanford_rga100/meshes/stanford_rga100__host_base_rail_1.mtl new file mode 100644 index 0000000000000000000000000000000000000000..351afae4a929dc0a94a0cbffd3cfca0847342b1e --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/stanford_rga100/meshes/stanford_rga100__host_base_rail_1.mtl @@ -0,0 +1,6 @@ +newmtl stanford_rga100__host_base_rail_1 +Kd 0.1200 0.1300 0.1400 +Ka 0 0 0 +Ks 0.05 0.05 0.05 +Ns 20 +d 1 diff --git a/assets/expansion_batch04/t3_analytical/stanford_rga100/meshes/stanford_rga100__host_base_rail_1.obj b/assets/expansion_batch04/t3_analytical/stanford_rga100/meshes/stanford_rga100__host_base_rail_1.obj new file mode 100644 index 0000000000000000000000000000000000000000..5d3a5066e5a162c013cc8a3bdb8c3fdf0af38ccc --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/stanford_rga100/meshes/stanford_rga100__host_base_rail_1.obj @@ -0,0 +1,24 @@ +mtllib stanford_rga100__host_base_rail_1.mtl +usemtl stanford_rga100__host_base_rail_1 +# https://github.com/mikedh/trimesh +v -0.00500000 -0.27500000 -0.00900000 +v -0.00500000 -0.27500000 0.00900000 +v -0.00500000 0.27500000 -0.00900000 +v -0.00500000 0.27500000 0.00900000 +v 0.00500000 -0.27500000 -0.00900000 +v 0.00500000 -0.27500000 0.00900000 +v 0.00500000 0.27500000 -0.00900000 +v 0.00500000 0.27500000 0.00900000 +f 2 4 1 +f 5 2 1 +f 1 4 3 +f 3 5 1 +f 2 8 4 +f 6 2 5 +f 6 8 2 +f 4 8 3 +f 7 5 3 +f 3 8 7 +f 7 6 5 +f 8 6 7 + diff --git a/assets/expansion_batch04/t3_analytical/stanford_rga100/meshes/stanford_rga100__host_chamber_leg_0.mtl b/assets/expansion_batch04/t3_analytical/stanford_rga100/meshes/stanford_rga100__host_chamber_leg_0.mtl new file mode 100644 index 0000000000000000000000000000000000000000..5bb67f0b4b13695c29964551c87e5966bc6f9016 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/stanford_rga100/meshes/stanford_rga100__host_chamber_leg_0.mtl @@ -0,0 +1,6 @@ +newmtl stanford_rga100__host_chamber_leg_0 +Kd 0.6000 0.6400 0.6700 +Ka 0 0 0 +Ks 0.05 0.05 0.05 +Ns 20 +d 1 diff --git a/assets/expansion_batch04/t3_analytical/stanford_rga100/meshes/stanford_rga100__host_chamber_leg_0.obj b/assets/expansion_batch04/t3_analytical/stanford_rga100/meshes/stanford_rga100__host_chamber_leg_0.obj new file mode 100644 index 0000000000000000000000000000000000000000..f149e92e8989da52f41ddb049cfe1add0b6f72d0 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/stanford_rga100/meshes/stanford_rga100__host_chamber_leg_0.obj @@ -0,0 +1,24 @@ +mtllib stanford_rga100__host_chamber_leg_0.mtl +usemtl stanford_rga100__host_chamber_leg_0 +# https://github.com/mikedh/trimesh +v -0.00700000 -0.02000000 -0.02550000 +v -0.00700000 -0.02000000 0.02550000 +v -0.00700000 0.02000000 -0.02550000 +v -0.00700000 0.02000000 0.02550000 +v 0.00700000 -0.02000000 -0.02550000 +v 0.00700000 -0.02000000 0.02550000 +v 0.00700000 0.02000000 -0.02550000 +v 0.00700000 0.02000000 0.02550000 +f 2 4 1 +f 5 2 1 +f 1 4 3 +f 3 5 1 +f 2 8 4 +f 6 2 5 +f 6 8 2 +f 4 8 3 +f 7 5 3 +f 3 8 7 +f 7 6 5 +f 8 6 7 + diff --git a/assets/expansion_batch04/t3_analytical/stanford_rga100/meshes/stanford_rga100__host_chamber_leg_1.mtl b/assets/expansion_batch04/t3_analytical/stanford_rga100/meshes/stanford_rga100__host_chamber_leg_1.mtl new file mode 100644 index 0000000000000000000000000000000000000000..1c64c466bf827537a263accff4230c7535c67574 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/stanford_rga100/meshes/stanford_rga100__host_chamber_leg_1.mtl @@ -0,0 +1,6 @@ +newmtl stanford_rga100__host_chamber_leg_1 +Kd 0.6000 0.6400 0.6700 +Ka 0 0 0 +Ks 0.05 0.05 0.05 +Ns 20 +d 1 diff --git a/assets/expansion_batch04/t3_analytical/stanford_rga100/meshes/stanford_rga100__host_chamber_leg_1.obj b/assets/expansion_batch04/t3_analytical/stanford_rga100/meshes/stanford_rga100__host_chamber_leg_1.obj new file mode 100644 index 0000000000000000000000000000000000000000..d571ab585b09abe4e06845681860ca87ed11de6f --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/stanford_rga100/meshes/stanford_rga100__host_chamber_leg_1.obj @@ -0,0 +1,24 @@ +mtllib stanford_rga100__host_chamber_leg_1.mtl +usemtl stanford_rga100__host_chamber_leg_1 +# https://github.com/mikedh/trimesh +v -0.00700000 -0.02000000 -0.02550000 +v -0.00700000 -0.02000000 0.02550000 +v -0.00700000 0.02000000 -0.02550000 +v -0.00700000 0.02000000 0.02550000 +v 0.00700000 -0.02000000 -0.02550000 +v 0.00700000 -0.02000000 0.02550000 +v 0.00700000 0.02000000 -0.02550000 +v 0.00700000 0.02000000 0.02550000 +f 2 4 1 +f 5 2 1 +f 1 4 3 +f 3 5 1 +f 2 8 4 +f 6 2 5 +f 6 8 2 +f 4 8 3 +f 7 5 3 +f 3 8 7 +f 7 6 5 +f 8 6 7 + diff --git a/assets/expansion_batch04/t3_analytical/stanford_rga100/meshes/stanford_rga100__host_ecu_cradle_0.mtl b/assets/expansion_batch04/t3_analytical/stanford_rga100/meshes/stanford_rga100__host_ecu_cradle_0.mtl new file mode 100644 index 0000000000000000000000000000000000000000..aeb658831b4e3c62b9046e805cb5c845da113845 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/stanford_rga100/meshes/stanford_rga100__host_ecu_cradle_0.mtl @@ -0,0 +1,6 @@ +newmtl stanford_rga100__host_ecu_cradle_0 +Kd 0.2300 0.2400 0.2300 +Ka 0 0 0 +Ks 0.05 0.05 0.05 +Ns 20 +d 1 diff --git a/assets/expansion_batch04/t3_analytical/stanford_rga100/meshes/stanford_rga100__host_ecu_cradle_0.obj b/assets/expansion_batch04/t3_analytical/stanford_rga100/meshes/stanford_rga100__host_ecu_cradle_0.obj new file mode 100644 index 0000000000000000000000000000000000000000..712053087a5660b1cfcd0e98dd4b7c090900f77f --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/stanford_rga100/meshes/stanford_rga100__host_ecu_cradle_0.obj @@ -0,0 +1,24 @@ +mtllib stanford_rga100__host_ecu_cradle_0.mtl +usemtl stanford_rga100__host_ecu_cradle_0 +# https://github.com/mikedh/trimesh +v -0.04500000 -0.02500000 -0.03996500 +v -0.04500000 -0.02500000 0.03996500 +v -0.04500000 0.02500000 -0.03996500 +v -0.04500000 0.02500000 0.03996500 +v 0.04500000 -0.02500000 -0.03996500 +v 0.04500000 -0.02500000 0.03996500 +v 0.04500000 0.02500000 -0.03996500 +v 0.04500000 0.02500000 0.03996500 +f 2 4 1 +f 5 2 1 +f 1 4 3 +f 3 5 1 +f 2 8 4 +f 6 2 5 +f 6 8 2 +f 4 8 3 +f 7 5 3 +f 3 8 7 +f 7 6 5 +f 8 6 7 + diff --git a/assets/expansion_batch04/t3_analytical/stanford_rga100/meshes/stanford_rga100__host_ecu_cradle_1.mtl b/assets/expansion_batch04/t3_analytical/stanford_rga100/meshes/stanford_rga100__host_ecu_cradle_1.mtl new file mode 100644 index 0000000000000000000000000000000000000000..f6e9d7aac2da5710d94a37be574d13e67e07cbe8 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/stanford_rga100/meshes/stanford_rga100__host_ecu_cradle_1.mtl @@ -0,0 +1,6 @@ +newmtl stanford_rga100__host_ecu_cradle_1 +Kd 0.2300 0.2400 0.2300 +Ka 0 0 0 +Ks 0.05 0.05 0.05 +Ns 20 +d 1 diff --git a/assets/expansion_batch04/t3_analytical/stanford_rga100/meshes/stanford_rga100__host_ecu_cradle_1.obj b/assets/expansion_batch04/t3_analytical/stanford_rga100/meshes/stanford_rga100__host_ecu_cradle_1.obj new file mode 100644 index 0000000000000000000000000000000000000000..e803f83ad0f4420e54cd75682559c8bf731aa24b --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/stanford_rga100/meshes/stanford_rga100__host_ecu_cradle_1.obj @@ -0,0 +1,24 @@ +mtllib stanford_rga100__host_ecu_cradle_1.mtl +usemtl stanford_rga100__host_ecu_cradle_1 +# https://github.com/mikedh/trimesh +v -0.04500000 -0.02500000 -0.03996500 +v -0.04500000 -0.02500000 0.03996500 +v -0.04500000 0.02500000 -0.03996500 +v -0.04500000 0.02500000 0.03996500 +v 0.04500000 -0.02500000 -0.03996500 +v 0.04500000 -0.02500000 0.03996500 +v 0.04500000 0.02500000 -0.03996500 +v 0.04500000 0.02500000 0.03996500 +f 2 4 1 +f 5 2 1 +f 1 4 3 +f 3 5 1 +f 2 8 4 +f 6 2 5 +f 6 8 2 +f 4 8 3 +f 7 5 3 +f 3 8 7 +f 7 6 5 +f 8 6 7 + diff --git a/assets/expansion_batch04/t3_analytical/stanford_rga100/meshes/stanford_rga100__host_valve_leg.mtl b/assets/expansion_batch04/t3_analytical/stanford_rga100/meshes/stanford_rga100__host_valve_leg.mtl new file mode 100644 index 0000000000000000000000000000000000000000..ad4b5cf7b68d76683ca54c08a13465fdd8f3ae44 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/stanford_rga100/meshes/stanford_rga100__host_valve_leg.mtl @@ -0,0 +1,6 @@ +newmtl stanford_rga100__host_valve_leg +Kd 0.6000 0.6400 0.6700 +Ka 0 0 0 +Ks 0.05 0.05 0.05 +Ns 20 +d 1 diff --git a/assets/expansion_batch04/t3_analytical/stanford_rga100/meshes/stanford_rga100__host_valve_leg.obj b/assets/expansion_batch04/t3_analytical/stanford_rga100/meshes/stanford_rga100__host_valve_leg.obj new file mode 100644 index 0000000000000000000000000000000000000000..3fea907e7a732d93c8ab7dafcf2d7e04c4269322 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/stanford_rga100/meshes/stanford_rga100__host_valve_leg.obj @@ -0,0 +1,24 @@ +mtllib stanford_rga100__host_valve_leg.mtl +usemtl stanford_rga100__host_valve_leg +# https://github.com/mikedh/trimesh +v -0.01000000 -0.02000000 -0.05100000 +v -0.01000000 -0.02000000 0.05100000 +v -0.01000000 0.02000000 -0.05100000 +v -0.01000000 0.02000000 0.05100000 +v 0.01000000 -0.02000000 -0.05100000 +v 0.01000000 -0.02000000 0.05100000 +v 0.01000000 0.02000000 -0.05100000 +v 0.01000000 0.02000000 0.05100000 +f 2 4 1 +f 5 2 1 +f 1 4 3 +f 3 5 1 +f 2 8 4 +f 6 2 5 +f 6 8 2 +f 4 8 3 +f 7 5 3 +f 3 8 7 +f 7 6 5 +f 8 6 7 + diff --git a/assets/expansion_batch04/t3_analytical/stanford_rga100/meshes/stanford_rga100__probe_copper_seal.mtl b/assets/expansion_batch04/t3_analytical/stanford_rga100/meshes/stanford_rga100__probe_copper_seal.mtl new file mode 100644 index 0000000000000000000000000000000000000000..3bd9bd424e824854f6e9a8354571f64d49f469e0 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/stanford_rga100/meshes/stanford_rga100__probe_copper_seal.mtl @@ -0,0 +1,6 @@ +newmtl stanford_rga100__probe_copper_seal +Kd 0.6000 0.3400 0.1700 +Ka 0 0 0 +Ks 0.05 0.05 0.05 +Ns 20 +d 1 diff --git a/assets/expansion_batch04/t3_analytical/stanford_rga100/meshes/stanford_rga100__probe_copper_seal.obj b/assets/expansion_batch04/t3_analytical/stanford_rga100/meshes/stanford_rga100__probe_copper_seal.obj new file mode 100644 index 0000000000000000000000000000000000000000..04560a6df3b261ee1918a66a365c9f19be45b029 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/stanford_rga100/meshes/stanford_rga100__probe_copper_seal.obj @@ -0,0 +1,772 @@ +mtllib stanford_rga100__probe_copper_seal.mtl +usemtl stanford_rga100__probe_copper_seal +# https://github.com/mikedh/trimesh +v 0.01800000 0.00000000 -0.00050000 +v 0.02540000 0.00000000 -0.00050000 +v 0.02540000 0.00000000 0.00050000 +v 0.01800000 0.00000000 0.00050000 +v 0.01791333 0.00176431 -0.00050000 +v 0.02527769 0.00248964 -0.00050000 +v 0.02527769 0.00248964 0.00050000 +v 0.01791333 0.00176431 0.00050000 +v 0.01765414 0.00351163 -0.00050000 +v 0.02491195 0.00495529 -0.00050000 +v 0.02491195 0.00495529 0.00050000 +v 0.01765414 0.00351163 0.00050000 +v 0.01722493 0.00522512 -0.00050000 +v 0.02430628 0.00737323 -0.00050000 +v 0.02430628 0.00737323 0.00050000 +v 0.01722493 0.00522512 0.00050000 +v 0.01662983 0.00688830 -0.00050000 +v 0.02346654 0.00972016 -0.00050000 +v 0.02346654 0.00972016 0.00050000 +v 0.01662983 0.00688830 0.00050000 +v 0.01587458 0.00848514 -0.00050000 +v 0.02240080 0.01197348 -0.00050000 +v 0.02240080 0.01197348 0.00050000 +v 0.01587458 0.00848514 0.00050000 +v 0.01496645 0.01000026 -0.00050000 +v 0.02111933 0.01411148 -0.00050000 +v 0.02111933 0.01411148 0.00050000 +v 0.01496645 0.01000026 0.00050000 +v 0.01391419 0.01141908 -0.00050000 +v 0.01963447 0.01611359 -0.00050000 +v 0.01963447 0.01611359 0.00050000 +v 0.01391419 0.01141908 0.00050000 +v 0.01272792 0.01272792 -0.00050000 +v 0.01796051 0.01796051 -0.00050000 +v 0.01796051 0.01796051 0.00050000 +v 0.01272792 0.01272792 0.00050000 +v 0.01141908 0.01391419 -0.00050000 +v 0.01611359 0.01963447 -0.00050000 +v 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under RGA electron energy/current/detector settings requires explicit surrogate acceptance.", + "No source partial-pressure calibration, absolute Faraday current, dwell-time noise or dynamic response is available.", + "Coincident masses require joint candidate analysis; substance label never identifies an observed ion channel for free." + ] + }, + "isoamyl_acetate": { + "substance_id": "isoamyl_acetate", + "name_en": "isoamyl acetate", + "name_zh": "乙酸异戊酯", + "cas": "123-92-2", + "nist_id": "C123922", + "formula": "C7H14O2", + "molar_mass_kg_mol": 0.13018000000000002, + "molar_mass_source": "pubchem_isoamyl_acetate", + "pubchem_cid": 31276, + "record_kind": "measured_reference", + "physical_input_eligible": true, + "pressure_reference_pa": null, + "absolute_sensitivity_a_pa": null, + "ei": { + "mass_to_charge_relative": [ + 14.0, + 15.0, + 26.0, + 27.0, + 28.0, + 29.0, + 30.0, + 31.0, + 37.0, + 38.0, + 39.0, + 40.0, + 41.0, + 42.0, + 43.0, + 44.0, + 45.0, + 46.0, + 50.0, + 51.0, + 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"PEAK TABLE", + "raw_point_count": 81, + "spectrum_number": "290719" + } + }, + "range_1_100": { + "original_indices": [ + 0, + 1, + 2, + 3, + 4, + 5, + 6, + 7, + 8, + 9, + 10, + 11, + 12, + 13, + 14, + 15, + 16, + 17, + 18, + 19, + 20, + 21, + 22, + 23, + 24, + 25, + 26, + 27, + 28, + 29, + 30, + 31, + 32, + 33, + 34, + 35, + 36, + 37, + 38, + 39, + 40, + 41, + 42, + 43, + 44, + 45, + 46, + 47, + 48, + 49, + 50, + 51, + 52, + 53, + 54, + 55 + ], + "mass_to_charge_relative": [ + 14.0, + 15.0, + 25.0, + 26.0, + 27.0, + 28.0, + 29.0, + 30.0, + 31.0, + 36.0, + 37.0, + 38.0, + 39.0, + 40.0, + 41.0, + 42.0, + 43.0, + 45.0, + 48.0, + 49.0, + 50.0, + 51.0, + 52.0, + 53.0, + 54.0, + 55.0, + 56.0, + 60.0, + 61.0, + 62.0, + 63.0, + 64.0, + 65.0, + 66.0, + 67.0, + 68.0, + 69.0, + 73.0, + 74.0, + 75.0, + 76.0, + 77.0, + 78.0, + 79.0, + 80.0, + 81.0, + 82.0, + 83.0, + 89.0, + 90.0, + 91.0, + 92.0, + 93.0, + 94.0, + 95.0, + 96.0 + ], + "relative_intensity": [ + 0.001000100010001, + 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+ 0.018001800180018002, + 0.001000100010001, + 0.001000100010001, + 0.001000100010001, + 0.014001400140014001, + 0.019001900190019003, + 0.025002500250025, + 0.005000500050005001, + 0.025002500250025, + 0.001000100010001 + ], + "relative_intensity_sum_fraction": 0.39552172364672367, + "excluded_relative_intensity_sum_fraction": 0.6044782763532763, + "excluded_peak_count": 25, + "original_base_peak_in_range": false, + "meaning": "Ratio of sums of reported discrete relative intensities, not ion yield, molecule fraction, mass fraction or absolute detector-current capture." + }, + "identity_evidence": { + "nist_identity_source": "nist_identity_vanillin", + "pubchem_identity_source": "pubchem_vanillin", + "raw_jcamp_CAS_verified": true, + "formula_crosscheck": true, + "molar_mass_conversion": "PubChem g/mol ×1e-3 -> kg/mol; JCAMP MW is original nominal molecular mass and is not substituted." + }, + "source": "nist_ei_vanillin", + "evidence": { + "level": "measured_reference", + "identity_sources": [ + "nist_identity_vanillin", + "pubchem_vanillin" + ], + "source_conditions_complete": false + }, + "limitations": [ + "Host specifies gas-phase presence/partial pressure; room-temperature vaporization, thermal decomposition and sample introduction are not established by EI library identity.", + "EI fragment shape is source-relative and condition-dependent; use under RGA electron energy/current/detector settings requires explicit surrogate acceptance.", + "No source partial-pressure calibration, absolute Faraday current, dwell-time noise or dynamic response is available.", + "Coincident masses require joint candidate analysis; substance label never identifies an observed ion channel for free." + ] + }, + "water": { + "substance_id": "water", + "name_en": "water", + "name_zh": "水", + "cas": "7732-18-5", + "nist_id": "C7732185", + "formula": "H2O", + "molar_mass_kg_mol": 0.018015, + "molar_mass_source": "pubchem_water", + "pubchem_cid": 962, + "record_kind": "measured_reference", + "physical_input_eligible": true, + "pressure_reference_pa": null, + "absolute_sensitivity_a_pa": null, + "ei": { + "mass_to_charge_relative": [ + 16.0, + 17.0, + 18.0, + 19.0, + 20.0 + ], + "mass_to_charge_si_kg_c": [ + 1.658283146745729e-07, + 1.7619258434173372e-07, + 1.865568540088945e-07, + 1.9692112367605531e-07, + 2.0728539334321612e-07 + ], + "relative_intensity": [ + 0.009000900090009001, + 0.21222122212221223, + 1.0, + 0.005000500050005001, + 0.003000300030003 + ], + "original_intensity": [ + 90.0, + 2122.0, + 9999.0, + 50.0, + 30.0 + ], + "original_intensity_unit": "RELATIVE INTENSITY", + "original_mass_axis_unit": "M/Z", + "normalization": "original full-spectrum maximum equals 1; no rounding and no normalization after range cropping", + "electron_energy_v": null, + "electron_energy_j": null, + "source": "nist_ei_water", + "evidence": "measured_reference", + "conditions": { + "ionization": "electron ionization", + "electron_energy_evidence": "not specified in original per-spectrum record; generic legacy70eV label not adopted", + "source_pressure_pa": null, + "source_temperature_k": null, + "emission_current_a": null, + "ion_energy_v": null, + "detector_type": null, + "acquired_on_rga100": null, + "rga100_acquisition_verified": false, + "absolute_current_available": false + }, + "source_headers": { + "TITLE": "Water", + "JCAMP-DX": "4.24", + "DATA TYPE": "MASS SPECTRUM", + "OWNER": "NIST Mass Spectrometry Data Center", + "CAS REGISTRY NO": "7732-18-5", + "$NIST MASS SPEC NO": "7", + "MOLFORM": "H2 O", + "MW": "18", + "$NIST SOURCE": "MSDC", + "XUNITS": "M/Z", + "YUNITS": "RELATIVE INTENSITY", + "XFACTOR": "1", + "YFACTOR": "1", + "FIRSTX": "16", + "LASTX": "20", + "FIRSTY": "90", + "MAXX": "20", + "MINX": "16", + "MAXY": "9999", + "MINY": "30", + "NPOINTS": "5", + "PEAK TABLE": "(XY..XY)", + "END": "" + }, + "locator": { + "jcamp_headers": [ + "CAS REGISTRY NO", + "MOLFORM", + "MW", + "XUNITS", + "YUNITS", + "NPOINTS" + ], + "data_section": "PEAK TABLE", + "raw_point_count": 5, + "spectrum_number": "7" + } + }, + "range_1_100": { + "original_indices": [ + 0, + 1, + 2, + 3, + 4 + ], + "mass_to_charge_relative": [ + 16.0, + 17.0, + 18.0, + 19.0, + 20.0 + ], + "relative_intensity": [ + 0.009000900090009001, + 0.21222122212221223, + 1.0, + 0.005000500050005001, + 0.003000300030003 + ], + "relative_intensity_sum_fraction": 1.0, + "excluded_relative_intensity_sum_fraction": 0.0, + "excluded_peak_count": 0, + "original_base_peak_in_range": true, + "meaning": "Ratio of sums of reported discrete relative intensities, not ion yield, molecule fraction, mass fraction or absolute detector-current capture." + }, + "identity_evidence": { + "nist_identity_source": "nist_identity_water", + "pubchem_identity_source": "pubchem_water", + "raw_jcamp_CAS_verified": true, + "formula_crosscheck": true, + "molar_mass_conversion": "PubChem g/mol ×1e-3 -> kg/mol; JCAMP MW is original nominal molecular mass and is not substituted." + }, + "source": "nist_ei_water", + "evidence": { + "level": "measured_reference", + "identity_sources": [ + "nist_identity_water", + "pubchem_water" + ], + "source_conditions_complete": false + }, + "limitations": [ + "Host specifies gas-phase presence/partial pressure; room-temperature vaporization, thermal decomposition and sample introduction are not established by EI library identity.", + "EI fragment shape is source-relative and condition-dependent; use under RGA electron energy/current/detector settings requires explicit surrogate acceptance.", + "No source partial-pressure calibration, absolute Faraday current, dwell-time noise or dynamic response is available.", + "Coincident masses require joint candidate analysis; substance label never identifies an observed ion channel for free." + ] + } + }, + "coverage": { + "records": 102, + "distinct_chemical_identities": 102, + "nist_measured_EI_reference_spectra": 100, + "manufacturer_reference_patterns": 1, + "physical_conditioned_templates": 101, + "source_electron_energy_known": 0, + "templates_with_peaks_above_100": 47, + "templates_original_base_peak_above_100": 19, + "original_peaks": 4129, + "in_range_peaks": 3623, + "actual_rga100_absolute_current_records": 0, + "measured_pressure_calibration_records": 0, + "identity_only_records": 1, + "target_distinct_substances": 50, + "reference_gap_to_50": 0 + }, + "constants": { + "atomic_mass_constant_kg": 1.66053906892e-27, + "elementary_charge_c": 1.602176634e-19, + "mass_charge_conversion": "relative m/z × CODATA2022 atomic_mass_constant_kg / exact elementary_charge_c -> kg/C", + "sources": [ + "codata2022_u", + "codata2022_e" + ] + }, + "default_substances": [ + "nitrogen", + "argon", + "carbon_dioxide" + ], + "conflicts": [ + { + "id": "hydrogen_peroxide_missing_EI", + "source": "nist_identity_hydrogen_peroxide", + "message": "Shared catalogue counts95 identities but hydrogen_peroxide MS entry is null and raw file empty; direct current NIST JCAMP404. Identity query only, not counted measured EI." + }, + { + "id": "legacy_70eV_unverified", + "message": "Shared ms_ei.json labels available spectra EI70eV; original per-spectrum JCAMP lacks electron energy, so private electron_energy_v is null and host assumption is mandatory." + }, + { + "id": "NIST_vs_SRS_fragmentation", + "message": "SRS gaslib Argon m20/m40=.10 versus NIST1462/9999; H2m1/m2=.05 versus NIST210/9999. Keep source patterns distinct; do not claim same-condition measured equivalence." + }, + { + "id": "SRS_default_sensitivity_not_calibration", + "message": "SRS gaslib sensitivity and reduction factor are default1.0 without metrology; ignored as absolute sensitivity and transfer ratio." + }, + { + "id": "helium_reference_only", + "message": "NIST helium has identity but no JCAMP EI spectrum(404). SRS MIT gaslib single-peak reference is not relabelled measured." + }, + { + "id": "mass_range_loss", + "message": "Mass range1–100 crops source peaks only at observation; full source arrays/base normalization retained. Fraction of summed relative intensities is not a gas or ion-count recovery." + } + ] +} diff --git "a/assets/expansion_batch04/t3_analytical/stanford_rga100/output_templates/\350\257\264\346\230\216.md" "b/assets/expansion_batch04/t3_analytical/stanford_rga100/output_templates/\350\257\264\346\230\216.md" new file mode 100644 index 0000000000000000000000000000000000000000..f634349deb494f8cb7baaf2e81dbf55179818b8a --- /dev/null +++ "b/assets/expansion_batch04/t3_analytical/stanford_rga100/output_templates/\350\257\264\346\230\216.md" @@ -0,0 +1,11 @@ +# RGA100 私有真实谱形参考库 + +102 个 CAS 身份:100 个 NIST Chemistry WebBook 原始 EI 峰表、1 个 SRS 官方 He 参考模式、1 个无谱的 H2O2 身份。100 个 NIST 谱包含只读共享缓存中94个非空谱及本次获取的H2/N2/O2/Ar/CO/CH4六谱。共享目录没有修改。He 使用官方MIT gaslib.dat 的 m/z4参考,不能称NIST实测;H2O2原缓存为空且NIST返回404,`ei=null`,只允许查询。 + +`library.json` 的 `compounds` 使用稳定物质ID。`ei.mass_to_charge_relative` 是相对于 u/e 的 m/z 数字(unit1);`mass_to_charge_si_kg_c` 用 CODATA2022 m_u /精确e换算。原始纵轴完整保留;`relative_intensity` 仅除以完整原谱最大值,未取整、未按1–100范围重新归一。4129个原峰中3623个在本机质量范围内,47个谱含超范围峰,19个谱的原base peak超范围。范围保留比例是离散相对强度之和的比,不是离子产额、分子分数、绝对电流或回收率。 + +每谱原始电子能量、压力、发射电流和检测器条件未给出时保持null。共享库统一70eV文本不作逐谱证据。运行层使用这些谱形时必须标记条件化模型,并由宿主明确气相存在、压力、绝对灵敏度、噪声和动态参数;没有真实压力标准或RGA绝对电流记录。标准校准需实际模拟观测;不可由物质标签免费区分m/z28的N2与CO等重叠贡献。 + +身份以原始JCAMP CAS/分子式与PubChem原JSON交叉核对,分子量以PubChem g/mol转kg/mol,不把JCAMP整数名义MW当平均摩尔质量。缓存保留原文件SHA与版权。NIST SRD原谱含美国商务部2014版权声明,不标CC0;SRS gaslib的MIT许可证在raw/srs_driver_LICENSE中。仅He采用SRS模式,其默认灵敏度1.0不作已测物理灵敏度。 + +从项目根在matterix环境运行本机OUT中的 `fetch_template_sources.py`、`build_library.py`、`validate_source_records.py`。后者独立解析原始文件,不导入生成器或运行层。冻结后不重新运行来源脚本,以免无关时间戳改变证据SHA;科学生成脚本另行读取冻结库。 diff --git a/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__aabg.mtl b/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__aabg.mtl new file mode 100644 index 0000000000000000000000000000000000000000..a5482d786e1294560ad0a7812ce4141117be90df --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__aabg.mtl @@ -0,0 +1,6 @@ +newmtl thermo_orbitrapexploris__aabg +Kd 0.6000 0.6400 0.6800 +Ka 0 0 0 +Ks 0.05 0.05 0.05 +Ns 20 +d 1 diff --git a/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__aabg.obj b/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__aabg.obj new file mode 100644 index 0000000000000000000000000000000000000000..f776cc341b76d40578ccc57f9b4db4a15878d3c3 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__aabg.obj @@ -0,0 +1,22044 @@ +mtllib thermo_orbitrapexploris__aabg.mtl +usemtl thermo_orbitrapexploris__aabg +# https://github.com/mikedh/trimesh +v -0.08200000 -0.18000000 0.47500000 +v -0.08200000 -0.18000000 0.47250000 +v -0.08139860 -0.17421053 0.47250000 +v -0.08139860 -0.17421053 0.47500000 +v -0.08232457 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a/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__accessory_cabinet.obj b/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__accessory_cabinet.obj new file mode 100644 index 0000000000000000000000000000000000000000..38f832b43e48655dc7e781e374723c5ad070cf82 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__accessory_cabinet.obj @@ -0,0 +1,64 @@ +mtllib thermo_orbitrapexploris__accessory_cabinet.mtl +usemtl thermo_orbitrapexploris__accessory_cabinet +# https://github.com/mikedh/trimesh +v 0.08200000 -0.37000000 0.50400000 +v 0.08200000 -0.37000000 0.51100000 +v 0.08200000 0.36000000 0.50400000 +v 0.08200000 0.36000000 0.51100000 +v 0.26100000 -0.37000000 0.50400000 +v 0.26100000 -0.37000000 0.51100000 +v 0.26100000 0.36000000 0.50400000 +v 0.26100000 0.36000000 0.51100000 +v 0.07900000 -0.37000000 0.51000000 +v 0.07900000 -0.37000000 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a/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__accessory_lid.mtl b/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__accessory_lid.mtl new file mode 100644 index 0000000000000000000000000000000000000000..fdaba8743436f8ce9bec2d2f4c808caad63f83fd --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__accessory_lid.mtl @@ -0,0 +1,6 @@ +newmtl thermo_orbitrapexploris__accessory_lid +Kd 0.8600 0.8700 0.8600 +Ka 0 0 0 +Ks 0.05 0.05 0.05 +Ns 20 +d 1 diff --git a/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__accessory_lid.obj b/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__accessory_lid.obj new file mode 100644 index 0000000000000000000000000000000000000000..c773bb1becd7dc16dbc999f075b578a64db416cc --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__accessory_lid.obj @@ -0,0 +1,44 @@ +mtllib thermo_orbitrapexploris__accessory_lid.mtl +usemtl thermo_orbitrapexploris__accessory_lid +# https://github.com/mikedh/trimesh +v 0.00000000 -0.36500000 -0.00320000 +v 0.00000000 -0.36500000 0.00280000 +v 0.00000000 0.36500000 -0.00320000 +v 0.00000000 0.36500000 0.00280000 +v 0.17100000 -0.36500000 -0.00320000 +v 0.17100000 -0.36500000 0.00280000 +v 0.17100000 0.36500000 -0.00320000 +v 0.17100000 0.36500000 0.00280000 +v 0.16700000 -0.36500000 -0.18480000 +v 0.16700000 -0.36500000 0.00020000 +v 0.16700000 0.36500000 -0.18480000 +v 0.16700000 0.36500000 0.00020000 +v 0.17100000 -0.36500000 -0.18480000 +v 0.17100000 -0.36500000 0.00020000 +v 0.17100000 0.36500000 -0.18480000 +v 0.17100000 0.36500000 0.00020000 +f 2 4 1 +f 5 2 1 +f 1 4 3 +f 3 5 1 +f 2 8 4 +f 6 2 5 +f 6 8 2 +f 4 8 3 +f 7 5 3 +f 3 8 7 +f 7 6 5 +f 8 6 7 +f 10 12 9 +f 13 10 9 +f 9 12 11 +f 11 13 9 +f 10 16 12 +f 14 10 13 +f 14 16 10 +f 12 16 11 +f 15 13 11 +f 11 16 15 +f 15 14 13 +f 16 14 15 + diff --git a/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__apci_selector_static.mtl b/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__apci_selector_static.mtl new file mode 100644 index 0000000000000000000000000000000000000000..6a62b2355d5fcb58224809ea0276e37a6323a14c --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__apci_selector_static.mtl @@ -0,0 +1,6 @@ +newmtl thermo_orbitrapexploris__apci_selector_static +Kd 0.3200 0.3400 0.3400 +Ka 0 0 0 +Ks 0.05 0.05 0.05 +Ns 20 +d 1 diff --git a/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__apci_selector_static.obj b/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__apci_selector_static.obj new file mode 100644 index 0000000000000000000000000000000000000000..73e58419120bf76eed4ef38d0e7ae1dea71ba27c --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__apci_selector_static.obj @@ -0,0 +1,314 @@ +mtllib thermo_orbitrapexploris__apci_selector_static.mtl +usemtl thermo_orbitrapexploris__apci_selector_static +# https://github.com/mikedh/trimesh +v -0.00200000 -0.03300000 -0.04000000 +v -0.00200000 -0.03300000 0.04000000 +v -0.00200000 0.03300000 -0.04000000 +v -0.00200000 0.03300000 0.04000000 +v 0.00200000 -0.03300000 -0.04000000 +v 0.00200000 -0.03300000 0.04000000 +v 0.00200000 0.03300000 -0.04000000 +v 0.00200000 0.03300000 0.04000000 +v -0.00050000 0.00000000 -0.00000000 +v -0.00050000 0.00000000 -0.01600000 +v 0.00850000 0.00000000 -0.01600000 +v 0.00850000 0.00000000 0.00000000 +v 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a/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__aux_power_outlet_0.mtl b/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__aux_power_outlet_0.mtl new file mode 100644 index 0000000000000000000000000000000000000000..62801150e2405e48e49eabcf819dcc2c2b33f78f --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__aux_power_outlet_0.mtl @@ -0,0 +1,6 @@ +newmtl thermo_orbitrapexploris__aux_power_outlet_0 +Kd 0.2200 0.2300 0.2300 +Ka 0 0 0 +Ks 0.05 0.05 0.05 +Ns 20 +d 1 diff --git a/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__aux_power_outlet_0.obj b/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__aux_power_outlet_0.obj new file mode 100644 index 0000000000000000000000000000000000000000..fc1620a6993a83ad54245aae8064a4a1a042975d --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__aux_power_outlet_0.obj @@ -0,0 +1,164 @@ +mtllib thermo_orbitrapexploris__aux_power_outlet_0.mtl +usemtl thermo_orbitrapexploris__aux_power_outlet_0 +# https://github.com/mikedh/trimesh +v -0.00600000 -0.01350000 -0.01050000 +v -0.00600000 -0.01350000 -0.00600000 +v -0.00600000 -0.00800000 -0.01050000 +v -0.00600000 -0.00800000 -0.00600000 +v 0.00000000 -0.01350000 -0.01050000 +v 0.00000000 -0.01350000 -0.00600000 +v 0.00000000 -0.00800000 -0.01050000 +v 0.00000000 -0.00800000 -0.00600000 +v -0.00600000 -0.01350000 -0.00600000 +v -0.00600000 -0.01350000 0.00600000 +v -0.00600000 -0.00800000 -0.00600000 +v -0.00600000 -0.00800000 0.00600000 +v 0.00000000 -0.01350000 -0.00600000 +v 0.00000000 -0.01350000 0.00600000 +v 0.00000000 -0.00800000 -0.00600000 +v 0.00000000 -0.00800000 0.00600000 +v -0.00600000 -0.01350000 0.00600000 +v -0.00600000 -0.01350000 0.01050000 +v -0.00600000 -0.00800000 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b/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__aux_power_outlet_1.mtl new file mode 100644 index 0000000000000000000000000000000000000000..83fa426b58337cdae11d696e2c4eb1c3cff8a326 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__aux_power_outlet_1.mtl @@ -0,0 +1,6 @@ +newmtl thermo_orbitrapexploris__aux_power_outlet_1 +Kd 0.2200 0.2300 0.2300 +Ka 0 0 0 +Ks 0.05 0.05 0.05 +Ns 20 +d 1 diff --git a/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__aux_power_outlet_1.obj b/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__aux_power_outlet_1.obj new file mode 100644 index 0000000000000000000000000000000000000000..6a53b1984fdc74b8cdad0ce6500d0bd4b557ef26 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__aux_power_outlet_1.obj @@ -0,0 +1,164 @@ +mtllib thermo_orbitrapexploris__aux_power_outlet_1.mtl +usemtl thermo_orbitrapexploris__aux_power_outlet_1 +# https://github.com/mikedh/trimesh +v -0.00600000 -0.01350000 -0.01050000 +v -0.00600000 -0.01350000 -0.00600000 +v -0.00600000 -0.00800000 -0.01050000 +v -0.00600000 -0.00800000 -0.00600000 +v 0.00000000 -0.01350000 -0.01050000 +v 0.00000000 -0.01350000 -0.00600000 +v 0.00000000 -0.00800000 -0.01050000 +v 0.00000000 -0.00800000 -0.00600000 +v -0.00600000 -0.01350000 -0.00600000 +v -0.00600000 -0.01350000 0.00600000 +v -0.00600000 -0.00800000 -0.00600000 +v -0.00600000 -0.00800000 0.00600000 +v 0.00000000 -0.01350000 -0.00600000 +v 0.00000000 -0.01350000 0.00600000 +v 0.00000000 -0.00800000 -0.00600000 +v 0.00000000 -0.00800000 0.00600000 +v -0.00600000 -0.01350000 0.00600000 +v -0.00600000 -0.01350000 0.01050000 +v -0.00600000 -0.00800000 0.00600000 +v -0.00600000 -0.00800000 0.01050000 +v 0.00000000 -0.01350000 0.00600000 +v 0.00000000 -0.01350000 0.01050000 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0000000000000000000000000000000000000000..1b683a00608168818b406a10324f9898c086d4c4 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__aux_power_outlet_2.mtl @@ -0,0 +1,6 @@ +newmtl thermo_orbitrapexploris__aux_power_outlet_2 +Kd 0.2200 0.2300 0.2300 +Ka 0 0 0 +Ks 0.05 0.05 0.05 +Ns 20 +d 1 diff --git a/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__aux_power_outlet_2.obj b/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__aux_power_outlet_2.obj new file mode 100644 index 0000000000000000000000000000000000000000..419b39b2e01c61e2440bef8c576f850d99b7a9cb --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__aux_power_outlet_2.obj @@ -0,0 +1,164 @@ +mtllib thermo_orbitrapexploris__aux_power_outlet_2.mtl +usemtl thermo_orbitrapexploris__aux_power_outlet_2 +# 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b/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__aux_power_outlet_3.mtl @@ -0,0 +1,6 @@ +newmtl thermo_orbitrapexploris__aux_power_outlet_3 +Kd 0.2200 0.2300 0.2300 +Ka 0 0 0 +Ks 0.05 0.05 0.05 +Ns 20 +d 1 diff --git a/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__aux_power_outlet_3.obj b/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__aux_power_outlet_3.obj new file mode 100644 index 0000000000000000000000000000000000000000..481ec502adb484faf088a006bad5fea9b51e9af6 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__aux_power_outlet_3.obj @@ -0,0 +1,164 @@ +mtllib thermo_orbitrapexploris__aux_power_outlet_3.mtl +usemtl thermo_orbitrapexploris__aux_power_outlet_3 +# https://github.com/mikedh/trimesh +v -0.00600000 -0.01350000 -0.01050000 +v -0.00600000 -0.01350000 -0.00600000 +v 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100644 index 0000000000000000000000000000000000000000..47e535a771c8224819802fc97ed21a7ed4445d21 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__body.mtl @@ -0,0 +1,6 @@ +newmtl thermo_orbitrapexploris__body +Kd 0.1200 0.1300 0.1400 +Ka 0 0 0 +Ks 0.05 0.05 0.05 +Ns 20 +d 1 diff --git a/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__body.obj b/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__body.obj new file mode 100644 index 0000000000000000000000000000000000000000..5f97aedf4766bfcb4403e44b915de9e28f10333d --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__body.obj @@ -0,0 +1,104 @@ +mtllib thermo_orbitrapexploris__body.mtl +usemtl thermo_orbitrapexploris__body +# https://github.com/mikedh/trimesh +v -0.26000000 -0.37450000 0.03000000 +v -0.26000000 -0.37450000 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37 33 +f 34 40 36 +f 38 34 37 +f 38 40 34 +f 36 40 35 +f 39 37 35 +f 35 40 39 +f 39 38 37 +f 40 38 39 + diff --git a/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__c_trap.mtl b/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__c_trap.mtl new file mode 100644 index 0000000000000000000000000000000000000000..dc2fc48d2f77893db4bda214342678bda9c5dc6e --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__c_trap.mtl @@ -0,0 +1,6 @@ +newmtl thermo_orbitrapexploris__c_trap +Kd 0.6000 0.6400 0.6800 +Ka 0 0 0 +Ks 0.05 0.05 0.05 +Ns 20 +d 1 diff --git a/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__c_trap.obj b/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__c_trap.obj new file mode 100644 index 0000000000000000000000000000000000000000..07761978841e989771c112f78d1c47aadd24cc39 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__c_trap.obj @@ -0,0 +1,18564 @@ +mtllib thermo_orbitrapexploris__c_trap.mtl +usemtl thermo_orbitrapexploris__c_trap +# https://github.com/mikedh/trimesh +v -0.00500000 0.16900000 0.47500000 +v -0.00500000 0.16900000 0.47340000 +v -0.00402455 0.17143750 0.47340000 +v -0.00402455 0.17143750 0.47500000 +v -0.00519389 0.16907759 0.47341369 +v -0.00421844 0.17151509 0.47341369 +v -0.00538447 0.16915386 0.47345452 +v -0.00440902 0.17159136 0.47345452 +v -0.00556846 0.16922749 0.47352179 +v -0.00459301 0.17166499 0.47352179 +v -0.00574273 0.16929723 0.47361436 +v -0.00476728 0.17173473 0.47361436 +v -0.00590430 0.16936189 0.47373063 +v -0.00492884 0.17179939 0.47373063 +v -0.00605038 0.16942035 0.47386863 +v -0.00507493 0.17185785 0.47386863 +v -0.00617850 0.16947162 0.47402598 +v -0.00520305 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0000000000000000000000000000000000000000..1b3cf63839419efe9118fa4cc36499109c82e32d --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__cabinet_handle_back.obj @@ -0,0 +1,64 @@ +mtllib thermo_orbitrapexploris__cabinet_handle_back.mtl +usemtl thermo_orbitrapexploris__cabinet_handle_back +# https://github.com/mikedh/trimesh +v -0.00200000 -0.05800000 -0.01700000 +v -0.00200000 -0.05800000 0.01700000 +v -0.00200000 0.05800000 -0.01700000 +v -0.00200000 0.05800000 0.01700000 +v 0.00200000 -0.05800000 -0.01700000 +v 0.00200000 -0.05800000 0.01700000 +v 0.00200000 0.05800000 -0.01700000 +v 0.00200000 0.05800000 0.01700000 +v -0.00700000 -0.05800000 0.00900000 +v -0.00700000 -0.05800000 0.01500000 +v -0.00700000 -0.04600000 0.00900000 +v -0.00700000 -0.04600000 0.01500000 +v 0.00000000 -0.05800000 0.00900000 +v 0.00000000 -0.05800000 0.01500000 +v 0.00000000 -0.04600000 0.00900000 +v 0.00000000 -0.04600000 0.01500000 +v -0.00700000 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b/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__cabinet_hinge_pin_0.mtl @@ -0,0 +1,6 @@ +newmtl thermo_orbitrapexploris__cabinet_hinge_pin_0 +Kd 0.6000 0.6400 0.6800 +Ka 0 0 0 +Ks 0.05 0.05 0.05 +Ns 20 +d 1 diff --git a/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__cabinet_hinge_pin_0.obj b/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__cabinet_hinge_pin_0.obj new file mode 100644 index 0000000000000000000000000000000000000000..065efaf087e658afd8d58811cdcdfe483a348d2a --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__cabinet_hinge_pin_0.obj @@ -0,0 +1,294 @@ +mtllib thermo_orbitrapexploris__cabinet_hinge_pin_0.mtl +usemtl thermo_orbitrapexploris__cabinet_hinge_pin_0 +# https://github.com/mikedh/trimesh +v 0.00000000 0.01300000 -0.00000000 +v 0.00200000 0.01300000 -0.00000000 +v 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b/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__cabinet_hinge_pin_1.mtl new file mode 100644 index 0000000000000000000000000000000000000000..c20610f108bb4df8ef341d85fc662547192de68b --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__cabinet_hinge_pin_1.mtl @@ -0,0 +1,6 @@ +newmtl thermo_orbitrapexploris__cabinet_hinge_pin_1 +Kd 0.6000 0.6400 0.6800 +Ka 0 0 0 +Ks 0.05 0.05 0.05 +Ns 20 +d 1 diff --git a/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__cabinet_hinge_pin_1.obj b/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__cabinet_hinge_pin_1.obj new file mode 100644 index 0000000000000000000000000000000000000000..d54e08a4606658a081c302bb8dceb9394646ee80 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__cabinet_hinge_pin_1.obj @@ -0,0 +1,294 @@ +mtllib thermo_orbitrapexploris__cabinet_hinge_pin_1.mtl +usemtl thermo_orbitrapexploris__cabinet_hinge_pin_1 +# https://github.com/mikedh/trimesh +v 0.00000000 0.01300000 -0.00000000 +v 0.00200000 0.01300000 -0.00000000 +v 0.00200000 -0.01300000 0.00000000 +v 0.00000000 -0.01300000 0.00000000 +v 0.00198289 0.01300000 0.00026105 +v 0.00198289 -0.01300000 0.00026105 +v 0.00193185 0.01300000 0.00051764 +v 0.00193185 -0.01300000 0.00051764 +v 0.00184776 0.01300000 0.00076537 +v 0.00184776 -0.01300000 0.00076537 +v 0.00173205 0.01300000 0.00100000 +v 0.00173205 -0.01300000 0.00100000 +v 0.00158671 0.01300000 0.00121752 +v 0.00158671 -0.01300000 0.00121752 +v 0.00141421 0.01300000 0.00141421 +v 0.00141421 -0.01300000 0.00141421 +v 0.00121752 0.01300000 0.00158671 +v 0.00121752 -0.01300000 0.00158671 +v 0.00100000 0.01300000 0.00173205 +v 0.00100000 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b/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__cabinet_usb_mount.obj new file mode 100644 index 0000000000000000000000000000000000000000..61084eb4b2d7a5d8d10ea886415530890d6b7d27 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__cabinet_usb_mount.obj @@ -0,0 +1,24 @@ +mtllib thermo_orbitrapexploris__cabinet_usb_mount.mtl +usemtl thermo_orbitrapexploris__cabinet_usb_mount +# https://github.com/mikedh/trimesh +v -0.07850000 -0.00600000 -0.01500000 +v -0.07850000 -0.00600000 0.01500000 +v -0.07850000 0.00600000 -0.01500000 +v -0.07850000 0.00600000 0.01500000 +v 0.07850000 -0.00600000 -0.01500000 +v 0.07850000 -0.00600000 0.01500000 +v 0.07850000 0.00600000 -0.01500000 +v 0.07850000 0.00600000 0.01500000 +f 2 4 1 +f 5 2 1 +f 1 4 3 +f 3 5 1 +f 2 8 4 +f 6 2 5 +f 6 8 2 +f 4 8 3 +f 7 5 3 +f 3 8 7 +f 7 6 5 +f 8 6 7 + diff --git a/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__charge_detector.mtl b/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__charge_detector.mtl new file mode 100644 index 0000000000000000000000000000000000000000..26047cdd8534f2ebfc23a30fd79fc42b6f07fa4d --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__charge_detector.mtl @@ -0,0 +1,6 @@ +newmtl thermo_orbitrapexploris__charge_detector +Kd 0.6000 0.6400 0.6800 +Ka 0 0 0 +Ks 0.05 0.05 0.05 +Ns 20 +d 1 diff --git a/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__charge_detector.obj b/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__charge_detector.obj new file mode 100644 index 0000000000000000000000000000000000000000..f532ba8823e1da802d7e771d9921760a683461ea --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__charge_detector.obj @@ -0,0 +1,772 @@ +mtllib thermo_orbitrapexploris__charge_detector.mtl +usemtl thermo_orbitrapexploris__charge_detector +# https://github.com/mikedh/trimesh +v 0.00600000 0.00000000 -0.00250000 +v 0.02000000 0.00000000 -0.00250000 +v 0.02000000 0.00000000 0.00250000 +v 0.00600000 0.00000000 0.00250000 +v 0.00597111 0.00058810 -0.00250000 +v 0.01990369 0.00196034 -0.00250000 +v 0.01990369 0.00196034 0.00250000 +v 0.00597111 0.00058810 0.00250000 +v 0.00588471 0.00117054 -0.00250000 +v 0.01961571 0.00390181 -0.00250000 +v 0.01961571 0.00390181 0.00250000 +v 0.00588471 0.00117054 0.00250000 +v 0.00574164 0.00174171 -0.00250000 +v 0.01913881 0.00580569 -0.00250000 +v 0.01913881 0.00580569 0.00250000 +v 0.00574164 0.00174171 0.00250000 +v 0.00554328 0.00229610 -0.00250000 +v 0.01847759 0.00765367 -0.00250000 +v 0.01847759 0.00765367 0.00250000 +v 0.00554328 0.00229610 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a/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__display_mass.mtl b/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__display_mass.mtl new file mode 100644 index 0000000000000000000000000000000000000000..586ca8e99298fff57fa18dc47b52517cac0040ce --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__display_mass.mtl @@ -0,0 +1,6 @@ +newmtl thermo_orbitrapexploris__display_mass +Kd 0.0600 0.4200 0.2100 +Ka 0 0 0 +Ks 0.05 0.05 0.05 +Ns 20 +d 1 diff --git a/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__display_mass.obj b/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__display_mass.obj new file mode 100644 index 0000000000000000000000000000000000000000..c433102e49be50b82d1a703139d8bfaafaa1d7da --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__display_mass.obj @@ -0,0 +1,24 @@ +mtllib thermo_orbitrapexploris__display_mass.mtl +usemtl thermo_orbitrapexploris__display_mass +# https://github.com/mikedh/trimesh +v -0.08400000 -0.00050000 -0.00800000 +v -0.08400000 -0.00050000 0.00800000 +v -0.08400000 0.00050000 -0.00800000 +v -0.08400000 0.00050000 0.00800000 +v 0.08400000 -0.00050000 -0.00800000 +v 0.08400000 -0.00050000 0.00800000 +v 0.08400000 0.00050000 -0.00800000 +v 0.08400000 0.00050000 0.00800000 +f 2 4 1 +f 5 2 1 +f 1 4 3 +f 3 5 1 +f 2 8 4 +f 6 2 5 +f 6 8 2 +f 4 8 3 +f 7 5 3 +f 3 8 7 +f 7 6 5 +f 8 6 7 + diff --git a/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__display_panel.mtl b/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__display_panel.mtl new file mode 100644 index 0000000000000000000000000000000000000000..cc19e17efd1aae65573f978119fb06cecd52faf0 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__display_panel.mtl @@ -0,0 +1,6 @@ +newmtl thermo_orbitrapexploris__display_panel +Kd 0.1200 0.1300 0.1400 +Ka 0 0 0 +Ks 0.05 0.05 0.05 +Ns 20 +d 1 diff --git a/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__display_panel.obj b/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__display_panel.obj new file mode 100644 index 0000000000000000000000000000000000000000..21d5ecc9f4670896675cdce7d8043f8a17b8dc07 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__display_panel.obj @@ -0,0 +1,24 @@ +mtllib thermo_orbitrapexploris__display_panel.mtl +usemtl thermo_orbitrapexploris__display_panel +# https://github.com/mikedh/trimesh +v -0.09000000 -0.00400000 -0.06500000 +v -0.09000000 -0.00400000 0.06500000 +v -0.09000000 0.00400000 -0.06500000 +v -0.09000000 0.00400000 0.06500000 +v 0.09000000 -0.00400000 -0.06500000 +v 0.09000000 -0.00400000 0.06500000 +v 0.09000000 0.00400000 -0.06500000 +v 0.09000000 0.00400000 0.06500000 +f 2 4 1 +f 5 2 1 +f 1 4 3 +f 3 5 1 +f 2 8 4 +f 6 2 5 +f 6 8 2 +f 4 8 3 +f 7 5 3 +f 3 8 7 +f 7 6 5 +f 8 6 7 + diff --git a/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__display_progress.mtl b/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__display_progress.mtl new file mode 100644 index 0000000000000000000000000000000000000000..f10a62fe1970a2e35c86e2dd6705c653aa289d0b --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__display_progress.mtl @@ -0,0 +1,6 @@ +newmtl thermo_orbitrapexploris__display_progress +Kd 0.0600 0.4200 0.2100 +Ka 0 0 0 +Ks 0.05 0.05 0.05 +Ns 20 +d 1 diff --git a/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__display_progress.obj b/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__display_progress.obj new file mode 100644 index 0000000000000000000000000000000000000000..3225b7dc57c100c953ad10232f777cdf9b4760a3 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__display_progress.obj @@ -0,0 +1,24 @@ +mtllib thermo_orbitrapexploris__display_progress.mtl +usemtl thermo_orbitrapexploris__display_progress +# https://github.com/mikedh/trimesh +v -0.08400000 -0.00050000 -0.00800000 +v -0.08400000 -0.00050000 0.00800000 +v -0.08400000 0.00050000 -0.00800000 +v -0.08400000 0.00050000 0.00800000 +v 0.08400000 -0.00050000 -0.00800000 +v 0.08400000 -0.00050000 0.00800000 +v 0.08400000 0.00050000 -0.00800000 +v 0.08400000 0.00050000 0.00800000 +f 2 4 1 +f 5 2 1 +f 1 4 3 +f 3 5 1 +f 2 8 4 +f 6 2 5 +f 6 8 2 +f 4 8 3 +f 7 5 3 +f 3 8 7 +f 7 6 5 +f 8 6 7 + diff --git a/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__display_resolution.mtl b/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__display_resolution.mtl new file mode 100644 index 0000000000000000000000000000000000000000..d306f6ef60b1dee940756fdc7c821622c9fd3028 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__display_resolution.mtl @@ -0,0 +1,6 @@ +newmtl thermo_orbitrapexploris__display_resolution +Kd 0.0600 0.4200 0.2100 +Ka 0 0 0 +Ks 0.05 0.05 0.05 +Ns 20 +d 1 diff --git a/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__display_resolution.obj b/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__display_resolution.obj new file mode 100644 index 0000000000000000000000000000000000000000..855eaf9c9ba211cad8989ba68dffd230702eafca --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__display_resolution.obj @@ -0,0 +1,24 @@ +mtllib thermo_orbitrapexploris__display_resolution.mtl +usemtl thermo_orbitrapexploris__display_resolution +# https://github.com/mikedh/trimesh +v -0.08400000 -0.00050000 -0.00800000 +v -0.08400000 -0.00050000 0.00800000 +v -0.08400000 0.00050000 -0.00800000 +v -0.08400000 0.00050000 0.00800000 +v 0.08400000 -0.00050000 -0.00800000 +v 0.08400000 -0.00050000 0.00800000 +v 0.08400000 0.00050000 -0.00800000 +v 0.08400000 0.00050000 0.00800000 +f 2 4 1 +f 5 2 1 +f 1 4 3 +f 3 5 1 +f 2 8 4 +f 6 2 5 +f 6 8 2 +f 4 8 3 +f 7 5 3 +f 3 8 7 +f 7 6 5 +f 8 6 7 + diff --git a/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__display_temperature.mtl b/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__display_temperature.mtl new file mode 100644 index 0000000000000000000000000000000000000000..a7c4d0312ee348c763e0e3a2451eb5095932f1d7 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__display_temperature.mtl @@ -0,0 +1,6 @@ +newmtl thermo_orbitrapexploris__display_temperature +Kd 0.0600 0.4200 0.2100 +Ka 0 0 0 +Ks 0.05 0.05 0.05 +Ns 20 +d 1 diff --git a/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__display_temperature.obj b/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__display_temperature.obj new file mode 100644 index 0000000000000000000000000000000000000000..1bf41bbd48cd4ae866204dc00217934106747fcf --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__display_temperature.obj @@ -0,0 +1,24 @@ +mtllib thermo_orbitrapexploris__display_temperature.mtl +usemtl thermo_orbitrapexploris__display_temperature +# https://github.com/mikedh/trimesh +v -0.08400000 -0.00050000 -0.00800000 +v -0.08400000 -0.00050000 0.00800000 +v -0.08400000 0.00050000 -0.00800000 +v -0.08400000 0.00050000 0.00800000 +v 0.08400000 -0.00050000 -0.00800000 +v 0.08400000 -0.00050000 0.00800000 +v 0.08400000 0.00050000 -0.00800000 +v 0.08400000 0.00050000 0.00800000 +f 2 4 1 +f 5 2 1 +f 1 4 3 +f 3 5 1 +f 2 8 4 +f 6 2 5 +f 6 8 2 +f 4 8 3 +f 7 5 3 +f 3 8 7 +f 7 6 5 +f 8 6 7 + diff --git a/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__display_tic.mtl b/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__display_tic.mtl new file mode 100644 index 0000000000000000000000000000000000000000..1c3829216cb2b5d0ee4c2285f84ffa4aa6ca2a00 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__display_tic.mtl @@ -0,0 +1,6 @@ +newmtl thermo_orbitrapexploris__display_tic +Kd 0.0600 0.4200 0.2100 +Ka 0 0 0 +Ks 0.05 0.05 0.05 +Ns 20 +d 1 diff --git a/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__display_tic.obj b/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__display_tic.obj new file mode 100644 index 0000000000000000000000000000000000000000..9bdacd730e4289e0d6d365e812c8daa4da6d627c --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__display_tic.obj @@ -0,0 +1,24 @@ +mtllib thermo_orbitrapexploris__display_tic.mtl +usemtl thermo_orbitrapexploris__display_tic +# https://github.com/mikedh/trimesh +v -0.08400000 -0.00050000 -0.00800000 +v -0.08400000 -0.00050000 0.00800000 +v -0.08400000 0.00050000 -0.00800000 +v -0.08400000 0.00050000 0.00800000 +v 0.08400000 -0.00050000 -0.00800000 +v 0.08400000 -0.00050000 0.00800000 +v 0.08400000 0.00050000 -0.00800000 +v 0.08400000 0.00050000 0.00800000 +f 2 4 1 +f 5 2 1 +f 1 4 3 +f 3 5 1 +f 2 8 4 +f 6 2 5 +f 6 8 2 +f 4 8 3 +f 7 5 3 +f 3 8 7 +f 7 6 5 +f 8 6 7 + diff --git a/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__display_voltage.mtl b/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__display_voltage.mtl new file mode 100644 index 0000000000000000000000000000000000000000..c5e2cae3e0d33ab77e5ce5f2ddd599e726e69ab9 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__display_voltage.mtl @@ -0,0 +1,6 @@ +newmtl thermo_orbitrapexploris__display_voltage +Kd 0.0600 0.4200 0.2100 +Ka 0 0 0 +Ks 0.05 0.05 0.05 +Ns 20 +d 1 diff --git a/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__display_voltage.obj b/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__display_voltage.obj new file mode 100644 index 0000000000000000000000000000000000000000..5831b2a5c6211d9a9f5dc852b20c27074f73ded2 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__display_voltage.obj @@ -0,0 +1,24 @@ +mtllib thermo_orbitrapexploris__display_voltage.mtl +usemtl thermo_orbitrapexploris__display_voltage +# https://github.com/mikedh/trimesh +v -0.08400000 -0.00050000 -0.00800000 +v -0.08400000 -0.00050000 0.00800000 +v -0.08400000 0.00050000 -0.00800000 +v -0.08400000 0.00050000 0.00800000 +v 0.08400000 -0.00050000 -0.00800000 +v 0.08400000 -0.00050000 0.00800000 +v 0.08400000 0.00050000 -0.00800000 +v 0.08400000 0.00050000 0.00800000 +f 2 4 1 +f 5 2 1 +f 1 4 3 +f 3 5 1 +f 2 8 4 +f 6 2 5 +f 6 8 2 +f 4 8 3 +f 7 5 3 +f 3 8 7 +f 7 6 5 +f 8 6 7 + diff --git a/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__drain_front_accent.mtl b/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__drain_front_accent.mtl new file mode 100644 index 0000000000000000000000000000000000000000..bf714ef1d3ad792eafbaa43d6b41b17706a1a99c --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__drain_front_accent.mtl @@ -0,0 +1,6 @@ +newmtl thermo_orbitrapexploris__drain_front_accent +Kd 0.4500 0.4800 0.4900 +Ka 0 0 0 +Ks 0.05 0.05 0.05 +Ns 20 +d 1 diff --git a/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__drain_front_accent.obj b/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__drain_front_accent.obj new file mode 100644 index 0000000000000000000000000000000000000000..94897b6ccd25cbbe1706d611345b668e58015244 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__drain_front_accent.obj @@ -0,0 +1,24 @@ +mtllib thermo_orbitrapexploris__drain_front_accent.mtl +usemtl thermo_orbitrapexploris__drain_front_accent +# https://github.com/mikedh/trimesh +v -0.02250000 -0.00050000 -0.14250000 +v -0.02250000 -0.00050000 0.14250000 +v -0.02250000 0.00050000 -0.14250000 +v -0.02250000 0.00050000 0.14250000 +v 0.02250000 -0.00050000 -0.14250000 +v 0.02250000 -0.00050000 0.14250000 +v 0.02250000 0.00050000 -0.14250000 +v 0.02250000 0.00050000 0.14250000 +f 2 4 1 +f 5 2 1 +f 1 4 3 +f 3 5 1 +f 2 8 4 +f 6 2 5 +f 6 8 2 +f 4 8 3 +f 7 5 3 +f 3 8 7 +f 7 6 5 +f 8 6 7 + diff --git a/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__easy_ic_source.mtl b/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__easy_ic_source.mtl new file mode 100644 index 0000000000000000000000000000000000000000..c90fb41381030ba3159a429bbbb5fcdb56aae844 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__easy_ic_source.mtl @@ -0,0 +1,6 @@ +newmtl thermo_orbitrapexploris__easy_ic_source +Kd 0.6000 0.6400 0.6800 +Ka 0 0 0 +Ks 0.05 0.05 0.05 +Ns 20 +d 1 diff --git a/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__easy_ic_source.obj b/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__easy_ic_source.obj new file mode 100644 index 0000000000000000000000000000000000000000..3da1132074100ffd6c06a7bdf520deaa07fdf26f --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__easy_ic_source.obj @@ -0,0 +1,772 @@ 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+mtllib thermo_orbitrapexploris__easy_ic_support.mtl +usemtl thermo_orbitrapexploris__easy_ic_support +# https://github.com/mikedh/trimesh +v -0.01000000 -0.00900000 -0.02500000 +v -0.01000000 -0.00900000 0.02500000 +v -0.01000000 0.00900000 -0.02500000 +v -0.01000000 0.00900000 0.02500000 +v 0.01000000 -0.00900000 -0.02500000 +v 0.01000000 -0.00900000 0.02500000 +v 0.01000000 0.00900000 -0.02500000 +v 0.01000000 0.00900000 0.02500000 +f 2 4 1 +f 5 2 1 +f 1 4 3 +f 3 5 1 +f 2 8 4 +f 6 2 5 +f 6 8 2 +f 4 8 3 +f 7 5 3 +f 3 8 7 +f 7 6 5 +f 8 6 7 + diff --git a/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__electronics_service_selector.mtl b/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__electronics_service_selector.mtl new file mode 100644 index 0000000000000000000000000000000000000000..5374e663e978d2db5a1561df4c7d8b4d0500d13a --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__electronics_service_selector.mtl @@ -0,0 +1,6 @@ +newmtl thermo_orbitrapexploris__electronics_service_selector +Kd 0.2000 0.2200 0.2000 +Ka 0 0 0 +Ks 0.05 0.05 0.05 +Ns 20 +d 1 diff --git a/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__electronics_service_selector.obj b/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__electronics_service_selector.obj new file mode 100644 index 0000000000000000000000000000000000000000..31191101f71f974ae3348eb59e750552f60009c1 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__electronics_service_selector.obj @@ -0,0 +1,44 @@ +mtllib thermo_orbitrapexploris__electronics_service_selector.mtl +usemtl thermo_orbitrapexploris__electronics_service_selector +# https://github.com/mikedh/trimesh +v -0.00400000 -0.01200000 -0.01550000 +v -0.00400000 -0.01200000 0.01550000 +v -0.00400000 0.01200000 -0.01550000 +v -0.00400000 0.01200000 0.01550000 +v 0.00400000 -0.01200000 -0.01550000 +v 0.00400000 -0.01200000 0.01550000 +v 0.00400000 0.01200000 -0.01550000 +v 0.00400000 0.01200000 0.01550000 +v -0.00441628 -0.00700000 -0.00969955 +v -0.00148588 -0.00700000 0.01109498 +v -0.00441628 0.00700000 -0.00969955 +v -0.00148588 0.00700000 0.01109498 +v 0.00548588 -0.00700000 -0.01109498 +v 0.00841628 -0.00700000 0.00969955 +v 0.00548588 0.00700000 -0.01109498 +v 0.00841628 0.00700000 0.00969955 +f 2 4 1 +f 5 2 1 +f 1 4 3 +f 3 5 1 +f 2 8 4 +f 6 2 5 +f 6 8 2 +f 4 8 3 +f 7 5 3 +f 3 8 7 +f 7 6 5 +f 8 6 7 +f 10 12 9 +f 13 10 9 +f 9 12 11 +f 11 13 9 +f 10 16 12 +f 14 10 13 +f 14 16 10 +f 12 16 11 +f 15 13 11 +f 11 16 15 +f 15 14 13 +f 16 14 15 + diff --git a/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__ethernet_port.mtl b/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__ethernet_port.mtl new file mode 100644 index 0000000000000000000000000000000000000000..ce5818d50babdd5d615fa94cbae051c99e077ba5 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__ethernet_port.mtl @@ -0,0 +1,6 @@ +newmtl thermo_orbitrapexploris__ethernet_port +Kd 0.1200 0.1300 0.1400 +Ka 0 0 0 +Ks 0.05 0.05 0.05 +Ns 20 +d 1 diff --git a/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__ethernet_port.obj b/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__ethernet_port.obj new file mode 100644 index 0000000000000000000000000000000000000000..6fbd474b8e369538e44c236ebbbcae27787928fd --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__ethernet_port.obj @@ -0,0 +1,184 @@ +mtllib thermo_orbitrapexploris__ethernet_port.mtl +usemtl thermo_orbitrapexploris__ethernet_port +# https://github.com/mikedh/trimesh +v -0.00600000 -0.01250000 -0.00750000 +v -0.00600000 -0.01250000 -0.00480000 +v -0.00600000 -0.00900000 -0.00750000 +v -0.00600000 -0.00900000 -0.00480000 +v 0.00000000 -0.01250000 -0.00750000 +v 0.00000000 -0.01250000 -0.00480000 +v 0.00000000 -0.00900000 -0.00750000 +v 0.00000000 -0.00900000 -0.00480000 +v -0.00600000 -0.01250000 -0.00480000 +v -0.00600000 -0.01250000 0.00480000 +v -0.00600000 -0.00900000 -0.00480000 +v -0.00600000 -0.00900000 0.00480000 +v 0.00000000 -0.01250000 -0.00480000 +v 0.00000000 -0.01250000 0.00480000 +v 0.00000000 -0.00900000 -0.00480000 +v 0.00000000 -0.00900000 0.00480000 +v -0.00600000 -0.01250000 0.00480000 +v -0.00600000 -0.01250000 0.00750000 +v -0.00600000 -0.00900000 0.00480000 +v -0.00600000 -0.00900000 0.00750000 +v 0.00000000 -0.01250000 0.00480000 +v 0.00000000 -0.01250000 0.00750000 +v 0.00000000 -0.00900000 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0000000000000000000000000000000000000000..61a7a2e0939e95ba8ca443a1eb03228f21abee2f --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__forepump_control.obj @@ -0,0 +1,184 @@ +mtllib thermo_orbitrapexploris__forepump_control.mtl +usemtl thermo_orbitrapexploris__forepump_control +# https://github.com/mikedh/trimesh +v -0.00600000 -0.01250000 -0.00750000 +v -0.00600000 -0.01250000 -0.00480000 +v -0.00600000 -0.00900000 -0.00750000 +v -0.00600000 -0.00900000 -0.00480000 +v 0.00000000 -0.01250000 -0.00750000 +v 0.00000000 -0.01250000 -0.00480000 +v 0.00000000 -0.00900000 -0.00750000 +v 0.00000000 -0.00900000 -0.00480000 +v -0.00600000 -0.01250000 -0.00480000 +v -0.00600000 -0.01250000 0.00480000 +v -0.00600000 -0.00900000 -0.00480000 +v -0.00600000 -0.00900000 0.00480000 +v 0.00000000 -0.01250000 -0.00480000 +v 0.00000000 -0.01250000 0.00480000 +v 0.00000000 -0.00900000 -0.00480000 +v 0.00000000 -0.00900000 0.00480000 +v 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a/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__forevacuum_line.obj b/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__forevacuum_line.obj new file mode 100644 index 0000000000000000000000000000000000000000..7d39ec9c41df73e84cc675010e4acf9d542c81c0 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__forevacuum_line.obj @@ -0,0 +1,772 @@ +mtllib thermo_orbitrapexploris__forevacuum_line.mtl +usemtl thermo_orbitrapexploris__forevacuum_line +# https://github.com/mikedh/trimesh +v -0.15000000 0.05000000 0.22800000 +v -0.15000000 0.04726874 0.22826901 +v -0.15000000 0.04464243 0.22906569 +v -0.15000000 0.04222202 0.23035943 +v -0.15000000 0.04010051 0.23210051 +v -0.15000000 0.03835943 0.23422202 +v -0.15000000 0.03706569 0.23664243 +v -0.15000000 0.03626901 0.23926874 +v -0.15000000 0.03600000 0.24200000 +v -0.15000000 0.03626901 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18 17 +f 17 20 19 +f 19 21 17 +f 18 24 20 +f 22 18 21 +f 22 24 18 +f 20 24 19 +f 23 21 19 +f 19 24 23 +f 23 22 21 +f 24 22 23 +f 26 28 25 +f 29 26 25 +f 25 28 27 +f 27 29 25 +f 26 32 28 +f 30 26 29 +f 30 32 26 +f 28 32 27 +f 31 29 27 +f 27 32 31 +f 31 30 29 +f 32 30 31 + diff --git a/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__front_left_panel.mtl b/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__front_left_panel.mtl new file mode 100644 index 0000000000000000000000000000000000000000..3a432e03729f7893fb8b3c80d9883fb3fbe68245 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__front_left_panel.mtl @@ -0,0 +1,6 @@ +newmtl thermo_orbitrapexploris__front_left_panel +Kd 0.8600 0.8700 0.8600 +Ka 0 0 0 +Ks 0.05 0.05 0.05 +Ns 20 +d 1 diff --git a/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__front_left_panel.obj b/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__front_left_panel.obj new file mode 100644 index 0000000000000000000000000000000000000000..072e3e6dab59bfb710aa4ffc79e2cc7af5bc8abf --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__front_left_panel.obj @@ -0,0 +1,424 @@ +mtllib thermo_orbitrapexploris__front_left_panel.mtl +usemtl thermo_orbitrapexploris__front_left_panel +# https://github.com/mikedh/trimesh +v -0.26700000 -0.38150000 0.05100000 +v -0.26700000 -0.38150000 0.39300000 +v -0.26700000 -0.37650000 0.05100000 +v -0.26700000 -0.37650000 0.39300000 +v -0.12900000 -0.38150000 0.05100000 +v -0.12900000 -0.38150000 0.39300000 +v -0.12900000 -0.37650000 0.05100000 +v -0.12900000 -0.37650000 0.39300000 +v -0.26700000 -0.38150000 0.39300000 +v -0.26700000 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a/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__front_right_panel.obj b/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__front_right_panel.obj new file mode 100644 index 0000000000000000000000000000000000000000..0ab66c6d3af4a0bd07524e63f85b256fa4f92d50 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__front_right_panel.obj @@ -0,0 +1,24 @@ +mtllib thermo_orbitrapexploris__front_right_panel.mtl +usemtl thermo_orbitrapexploris__front_right_panel +# https://github.com/mikedh/trimesh +v -0.08000000 -0.00300000 -0.32600000 +v -0.08000000 -0.00300000 0.32600000 +v -0.08000000 0.00300000 -0.32600000 +v -0.08000000 0.00300000 0.32600000 +v 0.08000000 -0.00300000 -0.32600000 +v 0.08000000 -0.00300000 0.32600000 +v 0.08000000 0.00300000 -0.32600000 +v 0.08000000 0.00300000 0.32600000 +f 2 4 1 +f 5 2 1 +f 1 4 3 +f 3 5 1 +f 2 8 4 +f 6 2 5 +f 6 8 2 +f 4 8 3 +f 7 5 3 +f 3 8 7 +f 7 6 5 +f 8 6 7 + diff --git a/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__hcd_nitrogen_line.mtl b/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__hcd_nitrogen_line.mtl new file mode 100644 index 0000000000000000000000000000000000000000..4bbe3e2ea5df02d0ccd0e70ac832e864ed85dbfb --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__hcd_nitrogen_line.mtl @@ -0,0 +1,6 @@ +newmtl thermo_orbitrapexploris__hcd_nitrogen_line +Kd 0.7000 0.7200 0.7200 +Ka 0 0 0 +Ks 0.05 0.05 0.05 +Ns 20 +d 1 diff --git a/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__hcd_nitrogen_line.obj b/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__hcd_nitrogen_line.obj new file mode 100644 index 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b/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__indicator_power.mtl new file mode 100644 index 0000000000000000000000000000000000000000..57371055973e898615d1b919ad16f5dd0e8b175a --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__indicator_power.mtl @@ -0,0 +1,6 @@ +newmtl thermo_orbitrapexploris__indicator_power +Kd 0.0600 0.1200 0.1000 +Ka 0 0 0 +Ks 0.05 0.05 0.05 +Ns 20 +d 1 diff --git a/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__indicator_power.obj b/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__indicator_power.obj new file mode 100644 index 0000000000000000000000000000000000000000..4cd589395dae99905e246198fdfe19383ec40d5c --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__indicator_power.obj @@ -0,0 +1,24 @@ +mtllib thermo_orbitrapexploris__indicator_power.mtl +usemtl thermo_orbitrapexploris__indicator_power +# https://github.com/mikedh/trimesh +v -0.01100000 -0.00030000 -0.00140000 +v -0.01100000 -0.00030000 0.00140000 +v -0.01100000 0.00030000 -0.00140000 +v -0.01100000 0.00030000 0.00140000 +v 0.01100000 -0.00030000 -0.00140000 +v 0.01100000 -0.00030000 0.00140000 +v 0.01100000 0.00030000 -0.00140000 +v 0.01100000 0.00030000 0.00140000 +f 2 4 1 +f 5 2 1 +f 1 4 3 +f 3 5 1 +f 2 8 4 +f 6 2 5 +f 6 8 2 +f 4 8 3 +f 7 5 3 +f 3 8 7 +f 7 6 5 +f 8 6 7 + diff --git a/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__indicator_scan.mtl b/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__indicator_scan.mtl new file mode 100644 index 0000000000000000000000000000000000000000..d253bb698c333c1a77268a0068d088a787288288 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__indicator_scan.mtl @@ -0,0 +1,6 @@ +newmtl thermo_orbitrapexploris__indicator_scan +Kd 0.0600 0.1200 0.1000 +Ka 0 0 0 +Ks 0.05 0.05 0.05 +Ns 20 +d 1 diff --git a/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__indicator_scan.obj b/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__indicator_scan.obj new file mode 100644 index 0000000000000000000000000000000000000000..a4212a73974709a14225b9e2fa2ee8adc9dd43b7 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__indicator_scan.obj @@ -0,0 +1,24 @@ +mtllib thermo_orbitrapexploris__indicator_scan.mtl +usemtl thermo_orbitrapexploris__indicator_scan +# https://github.com/mikedh/trimesh +v -0.03200000 -0.00030000 -0.00140000 +v -0.03200000 -0.00030000 0.00140000 +v -0.03200000 0.00030000 -0.00140000 +v -0.03200000 0.00030000 0.00140000 +v 0.03200000 -0.00030000 -0.00140000 +v 0.03200000 -0.00030000 0.00140000 +v 0.03200000 0.00030000 -0.00140000 +v 0.03200000 0.00030000 0.00140000 +f 2 4 1 +f 5 2 1 +f 1 4 3 +f 3 5 1 +f 2 8 4 +f 6 2 5 +f 6 8 2 +f 4 8 3 +f 7 5 3 +f 3 8 7 +f 7 6 5 +f 8 6 7 + diff --git a/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__indicator_status.mtl b/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__indicator_status.mtl new file mode 100644 index 0000000000000000000000000000000000000000..25982bf7a558f399568702f6e679334ae4611f2c --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__indicator_status.mtl @@ -0,0 +1,6 @@ +newmtl thermo_orbitrapexploris__indicator_status +Kd 0.0600 0.1200 0.1000 +Ka 0 0 0 +Ks 0.05 0.05 0.05 +Ns 20 +d 1 diff --git a/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__indicator_status.obj b/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__indicator_status.obj new file mode 100644 index 0000000000000000000000000000000000000000..8fcd3474e257b28533bd3ab693d18709687b9a33 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__indicator_status.obj @@ -0,0 +1,24 @@ +mtllib thermo_orbitrapexploris__indicator_status.mtl +usemtl thermo_orbitrapexploris__indicator_status +# https://github.com/mikedh/trimesh +v -0.01750000 -0.00030000 -0.00140000 +v -0.01750000 -0.00030000 0.00140000 +v -0.01750000 0.00030000 -0.00140000 +v -0.01750000 0.00030000 0.00140000 +v 0.01750000 -0.00030000 -0.00140000 +v 0.01750000 -0.00030000 0.00140000 +v 0.01750000 0.00030000 -0.00140000 +v 0.01750000 0.00030000 0.00140000 +f 2 4 1 +f 5 2 1 +f 1 4 3 +f 3 5 1 +f 2 8 4 +f 6 2 5 +f 6 8 2 +f 4 8 3 +f 7 5 3 +f 3 8 7 +f 7 6 5 +f 8 6 7 + diff --git a/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__ion_routing_multipole.mtl b/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__ion_routing_multipole.mtl new file mode 100644 index 0000000000000000000000000000000000000000..a30daa582859482e615575bbc505ea01438699ed --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__ion_routing_multipole.mtl @@ -0,0 +1,6 @@ +newmtl thermo_orbitrapexploris__ion_routing_multipole +Kd 0.6000 0.6400 0.6800 +Ka 0 0 0 +Ks 0.05 0.05 0.05 +Ns 20 +d 1 diff --git a/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__ion_routing_multipole.obj b/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__ion_routing_multipole.obj new file mode 100644 index 0000000000000000000000000000000000000000..987592195eb20a6d45bc26f9521c55f39c2dadce --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__ion_routing_multipole.obj @@ -0,0 +1,2324 @@ +mtllib thermo_orbitrapexploris__ion_routing_multipole.mtl +usemtl thermo_orbitrapexploris__ion_routing_multipole +# https://github.com/mikedh/trimesh +v 0.01000000 0.35800000 0.47500000 +v 0.01200000 0.35800000 0.47500000 +v 0.01200000 0.21400000 0.47500000 +v 0.01000000 0.21400000 0.47500000 +v 0.01198289 0.35800000 0.47526105 +v 0.01198289 0.21400000 0.47526105 +v 0.01193185 0.35800000 0.47551764 +v 0.01193185 0.21400000 0.47551764 +v 0.01184776 0.35800000 0.47576537 +v 0.01184776 0.21400000 0.47576537 +v 0.01173205 0.35800000 0.47600000 +v 0.01173205 0.21400000 0.47600000 +v 0.01158671 0.35800000 0.47621752 +v 0.01158671 0.21400000 0.47621752 +v 0.01141421 0.35800000 0.47641421 +v 0.01141421 0.21400000 0.47641421 +v 0.01121752 0.35800000 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a/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__main_power_breaker.mtl b/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__main_power_breaker.mtl new file mode 100644 index 0000000000000000000000000000000000000000..21182952597ac9420eb4d61cbc320c482e4d6d94 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__main_power_breaker.mtl @@ -0,0 +1,6 @@ +newmtl thermo_orbitrapexploris__main_power_breaker +Kd 0.2000 0.2200 0.2000 +Ka 0 0 0 +Ks 0.05 0.05 0.05 +Ns 20 +d 1 diff --git a/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__main_power_breaker.obj b/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__main_power_breaker.obj new file mode 100644 index 0000000000000000000000000000000000000000..e4e45d312f4ed61debb9ab03368e8216f058bbd1 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__main_power_breaker.obj @@ -0,0 +1,44 @@ +mtllib thermo_orbitrapexploris__main_power_breaker.mtl +usemtl thermo_orbitrapexploris__main_power_breaker +# https://github.com/mikedh/trimesh +v -0.00400000 -0.01200000 -0.01550000 +v -0.00400000 -0.01200000 0.01550000 +v -0.00400000 0.01200000 -0.01550000 +v -0.00400000 0.01200000 0.01550000 +v 0.00400000 -0.01200000 -0.01550000 +v 0.00400000 -0.01200000 0.01550000 +v 0.00400000 0.01200000 -0.01550000 +v 0.00400000 0.01200000 0.01550000 +v -0.00441628 -0.00700000 -0.00969955 +v -0.00148588 -0.00700000 0.01109498 +v -0.00441628 0.00700000 -0.00969955 +v -0.00148588 0.00700000 0.01109498 +v 0.00548588 -0.00700000 -0.01109498 +v 0.00841628 -0.00700000 0.00969955 +v 0.00548588 0.00700000 -0.01109498 +v 0.00841628 0.00700000 0.00969955 +f 2 4 1 +f 5 2 1 +f 1 4 3 +f 3 5 1 +f 2 8 4 +f 6 2 5 +f 6 8 2 +f 4 8 3 +f 7 5 3 +f 3 8 7 +f 7 6 5 +f 8 6 7 +f 10 12 9 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0000000000000000000000000000000000000000..f25bdb83e4d55379996593c4ce6de4793d337864 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__main_roof.obj @@ -0,0 +1,24 @@ +mtllib thermo_orbitrapexploris__main_roof.mtl +usemtl thermo_orbitrapexploris__main_roof +# https://github.com/mikedh/trimesh +v -0.17500000 -0.38150000 -0.00300000 +v -0.17500000 -0.38150000 0.00300000 +v -0.17500000 0.38150000 -0.00300000 +v -0.17500000 0.38150000 0.00300000 +v 0.17500000 -0.38150000 -0.00300000 +v 0.17500000 -0.38150000 0.00300000 +v 0.17500000 0.38150000 -0.00300000 +v 0.17500000 0.38150000 0.00300000 +f 2 4 1 +f 5 2 1 +f 1 4 3 +f 3 5 1 +f 2 8 4 +f 6 2 5 +f 6 8 2 +f 4 8 3 +f 7 5 3 +f 3 8 7 +f 7 6 5 +f 8 6 7 + diff --git a/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__nitrogen_hcd.mtl b/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__nitrogen_hcd.mtl new file mode 100644 index 0000000000000000000000000000000000000000..c98e3d68bcd127bfef97d14f3c9c8b8d9027dff4 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__nitrogen_hcd.mtl @@ -0,0 +1,6 @@ +newmtl thermo_orbitrapexploris__nitrogen_hcd +Kd 0.6000 0.6400 0.6800 +Ka 0 0 0 +Ks 0.05 0.05 0.05 +Ns 20 +d 1 diff --git a/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__nitrogen_hcd.obj b/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__nitrogen_hcd.obj new file mode 100644 index 0000000000000000000000000000000000000000..4dcb82ba75b2a0285db231913fb39d48887c7e5f --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__nitrogen_hcd.obj @@ -0,0 +1,772 @@ +mtllib 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b/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__nitrogen_manifold.mtl new file mode 100644 index 0000000000000000000000000000000000000000..b5b32da52d48704456404b67b6b82b6152bcb443 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__nitrogen_manifold.mtl @@ -0,0 +1,6 @@ +newmtl thermo_orbitrapexploris__nitrogen_manifold +Kd 0.6000 0.6400 0.6800 +Ka 0 0 0 +Ks 0.05 0.05 0.05 +Ns 20 +d 1 diff --git a/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__nitrogen_manifold.obj b/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__nitrogen_manifold.obj new file mode 100644 index 0000000000000000000000000000000000000000..4d88c8ff8ee5e207a46d7e1a693fe33a67df2a81 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__nitrogen_manifold.obj @@ 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b/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__optical_rail_supports.mtl new file mode 100644 index 0000000000000000000000000000000000000000..df837764b523d8380ebaef42fe91921e15dc7e80 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__optical_rail_supports.mtl @@ -0,0 +1,6 @@ +newmtl thermo_orbitrapexploris__optical_rail_supports +Kd 0.6000 0.6400 0.6800 +Ka 0 0 0 +Ks 0.05 0.05 0.05 +Ns 20 +d 1 diff --git a/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__optical_rail_supports.obj b/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__optical_rail_supports.obj new file mode 100644 index 0000000000000000000000000000000000000000..47d9429e2d0c3524856b17d925b7cce659e80454 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__optical_rail_supports.obj @@ -0,0 +1,84 @@ +mtllib thermo_orbitrapexploris__optical_rail_supports.mtl +usemtl thermo_orbitrapexploris__optical_rail_supports +# https://github.com/mikedh/trimesh +v -0.08750000 -0.23750000 0.05600000 +v -0.08750000 -0.23750000 0.42400000 +v -0.08750000 -0.20250000 0.05600000 +v -0.08750000 -0.20250000 0.42400000 +v -0.06250000 -0.23750000 0.05600000 +v -0.06250000 -0.23750000 0.42400000 +v -0.06250000 -0.20250000 0.05600000 +v -0.06250000 -0.20250000 0.42400000 +v -0.08750000 0.29250000 0.05600000 +v -0.08750000 0.29250000 0.42400000 +v -0.08750000 0.32750000 0.05600000 +v -0.08750000 0.32750000 0.42400000 +v -0.06250000 0.29250000 0.05600000 +v -0.06250000 0.29250000 0.42400000 +v -0.06250000 0.32750000 0.05600000 +v -0.06250000 0.32750000 0.42400000 +v 0.04250000 -0.23750000 0.05600000 +v 0.04250000 -0.23750000 0.42400000 +v 0.04250000 -0.20250000 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31 30 29 +f 32 30 31 + diff --git a/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__optical_standoff_0.mtl b/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__optical_standoff_0.mtl new file mode 100644 index 0000000000000000000000000000000000000000..9a405ec809ca27bb424642407a85e91a62fd09cb --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__optical_standoff_0.mtl @@ -0,0 +1,6 @@ +newmtl thermo_orbitrapexploris__optical_standoff_0 +Kd 0.8600 0.8500 0.7800 +Ka 0 0 0 +Ks 0.05 0.05 0.05 +Ns 20 +d 1 diff --git a/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__optical_standoff_0.obj b/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__optical_standoff_0.obj new file mode 100644 index 0000000000000000000000000000000000000000..349a13793ae6e6e0539eccc3d1568ddf3ac15528 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__optical_standoff_0.obj @@ -0,0 +1,24 @@ +mtllib thermo_orbitrapexploris__optical_standoff_0.mtl +usemtl thermo_orbitrapexploris__optical_standoff_0 +# https://github.com/mikedh/trimesh +v -0.01200000 -0.00600000 -0.01000000 +v -0.01200000 -0.00600000 0.01000000 +v -0.01200000 0.00600000 -0.01000000 +v -0.01200000 0.00600000 0.01000000 +v 0.01200000 -0.00600000 -0.01000000 +v 0.01200000 -0.00600000 0.01000000 +v 0.01200000 0.00600000 -0.01000000 +v 0.01200000 0.00600000 0.01000000 +f 2 4 1 +f 5 2 1 +f 1 4 3 +f 3 5 1 +f 2 8 4 +f 6 2 5 +f 6 8 2 +f 4 8 3 +f 7 5 3 +f 3 8 7 +f 7 6 5 +f 8 6 7 + diff --git a/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__optical_standoff_1.mtl b/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__optical_standoff_1.mtl new file mode 100644 index 0000000000000000000000000000000000000000..82db346828efbae85cb8189bb4b5e1e2f6397043 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__optical_standoff_1.mtl @@ -0,0 +1,6 @@ +newmtl thermo_orbitrapexploris__optical_standoff_1 +Kd 0.8600 0.8500 0.7800 +Ka 0 0 0 +Ks 0.05 0.05 0.05 +Ns 20 +d 1 diff --git a/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__optical_standoff_1.obj b/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__optical_standoff_1.obj new file mode 100644 index 0000000000000000000000000000000000000000..a1dcc7348706f1ed4d972fc2f2b65e10d3d7246d --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__optical_standoff_1.obj @@ -0,0 +1,24 @@ +mtllib thermo_orbitrapexploris__optical_standoff_1.mtl +usemtl thermo_orbitrapexploris__optical_standoff_1 +# https://github.com/mikedh/trimesh +v -0.01200000 -0.00600000 -0.01000000 +v -0.01200000 -0.00600000 0.01000000 +v -0.01200000 0.00600000 -0.01000000 +v -0.01200000 0.00600000 0.01000000 +v 0.01200000 -0.00600000 -0.01000000 +v 0.01200000 -0.00600000 0.01000000 +v 0.01200000 0.00600000 -0.01000000 +v 0.01200000 0.00600000 0.01000000 +f 2 4 1 +f 5 2 1 +f 1 4 3 +f 3 5 1 +f 2 8 4 +f 6 2 5 +f 6 8 2 +f 4 8 3 +f 7 5 3 +f 3 8 7 +f 7 6 5 +f 8 6 7 + diff --git a/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__optical_standoff_2.mtl b/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__optical_standoff_2.mtl new file mode 100644 index 0000000000000000000000000000000000000000..9dda125f0eee6665e0f45fded01fa0070079d88a --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__optical_standoff_2.mtl @@ -0,0 +1,6 @@ +newmtl thermo_orbitrapexploris__optical_standoff_2 +Kd 0.8600 0.8500 0.7800 +Ka 0 0 0 +Ks 0.05 0.05 0.05 +Ns 20 +d 1 diff --git a/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__optical_standoff_2.obj b/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__optical_standoff_2.obj new file mode 100644 index 0000000000000000000000000000000000000000..b1be8de9968ee8b2e9a044b9603528c9f8ac7665 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__optical_standoff_2.obj @@ -0,0 +1,24 @@ +mtllib thermo_orbitrapexploris__optical_standoff_2.mtl +usemtl thermo_orbitrapexploris__optical_standoff_2 +# https://github.com/mikedh/trimesh +v -0.01200000 -0.00600000 -0.00850000 +v -0.01200000 -0.00600000 0.00850000 +v -0.01200000 0.00600000 -0.00850000 +v -0.01200000 0.00600000 0.00850000 +v 0.01200000 -0.00600000 -0.00850000 +v 0.01200000 -0.00600000 0.00850000 +v 0.01200000 0.00600000 -0.00850000 +v 0.01200000 0.00600000 0.00850000 +f 2 4 1 +f 5 2 1 +f 1 4 3 +f 3 5 1 +f 2 8 4 +f 6 2 5 +f 6 8 2 +f 4 8 3 +f 7 5 3 +f 3 8 7 +f 7 6 5 +f 8 6 7 + diff --git a/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__optical_standoff_3.mtl b/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__optical_standoff_3.mtl new file mode 100644 index 0000000000000000000000000000000000000000..f39506d984312063d908cd96ed89000561ba2ba3 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__optical_standoff_3.mtl @@ -0,0 +1,6 @@ +newmtl thermo_orbitrapexploris__optical_standoff_3 +Kd 0.8600 0.8500 0.7800 +Ka 0 0 0 +Ks 0.05 0.05 0.05 +Ns 20 +d 1 diff --git a/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__optical_standoff_3.obj b/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__optical_standoff_3.obj new file mode 100644 index 0000000000000000000000000000000000000000..fb00197b809487263fc5ae283e30038a6a64843a --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__optical_standoff_3.obj @@ -0,0 +1,24 @@ +mtllib thermo_orbitrapexploris__optical_standoff_3.mtl +usemtl thermo_orbitrapexploris__optical_standoff_3 +# https://github.com/mikedh/trimesh +v -0.01200000 -0.00600000 -0.00850000 +v -0.01200000 -0.00600000 0.00850000 +v -0.01200000 0.00600000 -0.00850000 +v -0.01200000 0.00600000 0.00850000 +v 0.01200000 -0.00600000 -0.00850000 +v 0.01200000 -0.00600000 0.00850000 +v 0.01200000 0.00600000 -0.00850000 +v 0.01200000 0.00600000 0.00850000 +f 2 4 1 +f 5 2 1 +f 1 4 3 +f 3 5 1 +f 2 8 4 +f 6 2 5 +f 6 8 2 +f 4 8 3 +f 7 5 3 +f 3 8 7 +f 7 6 5 +f 8 6 7 + diff --git a/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__optical_standoff_4.mtl b/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__optical_standoff_4.mtl new file mode 100644 index 0000000000000000000000000000000000000000..505db558ab82a3f6917fe401b6567b4f6dff1815 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__optical_standoff_4.mtl @@ -0,0 +1,6 @@ +newmtl thermo_orbitrapexploris__optical_standoff_4 +Kd 0.8600 0.8500 0.7800 +Ka 0 0 0 +Ks 0.05 0.05 0.05 +Ns 20 +d 1 diff --git a/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__optical_standoff_4.obj b/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__optical_standoff_4.obj new file mode 100644 index 0000000000000000000000000000000000000000..41f277d126d99997347697a0e6428552f159a6b7 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__optical_standoff_4.obj @@ -0,0 +1,24 @@ +mtllib thermo_orbitrapexploris__optical_standoff_4.mtl +usemtl thermo_orbitrapexploris__optical_standoff_4 +# https://github.com/mikedh/trimesh +v -0.01200000 -0.00600000 -0.00950000 +v -0.01200000 -0.00600000 0.00950000 +v -0.01200000 0.00600000 -0.00950000 +v -0.01200000 0.00600000 0.00950000 +v 0.01200000 -0.00600000 -0.00950000 +v 0.01200000 -0.00600000 0.00950000 +v 0.01200000 0.00600000 -0.00950000 +v 0.01200000 0.00600000 0.00950000 +f 2 4 1 +f 5 2 1 +f 1 4 3 +f 3 5 1 +f 2 8 4 +f 6 2 5 +f 6 8 2 +f 4 8 3 +f 7 5 3 +f 3 8 7 +f 7 6 5 +f 8 6 7 + diff --git a/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__optical_standoff_5.mtl b/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__optical_standoff_5.mtl new file mode 100644 index 0000000000000000000000000000000000000000..551231b2875886f23847642415fd4d865e1f4305 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__optical_standoff_5.mtl @@ -0,0 +1,6 @@ +newmtl thermo_orbitrapexploris__optical_standoff_5 +Kd 0.8600 0.8500 0.7800 +Ka 0 0 0 +Ks 0.05 0.05 0.05 +Ns 20 +d 1 diff --git a/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__optical_standoff_5.obj b/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__optical_standoff_5.obj new file mode 100644 index 0000000000000000000000000000000000000000..a0438a7e129f2e8b8977c457956d22c7e3fb11b1 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__optical_standoff_5.obj @@ -0,0 +1,24 @@ +mtllib thermo_orbitrapexploris__optical_standoff_5.mtl +usemtl thermo_orbitrapexploris__optical_standoff_5 +# https://github.com/mikedh/trimesh +v -0.01200000 -0.00600000 -0.01620000 +v -0.01200000 -0.00600000 0.01620000 +v -0.01200000 0.00600000 -0.01620000 +v -0.01200000 0.00600000 0.01620000 +v 0.01200000 -0.00600000 -0.01620000 +v 0.01200000 -0.00600000 0.01620000 +v 0.01200000 0.00600000 -0.01620000 +v 0.01200000 0.00600000 0.01620000 +f 2 4 1 +f 5 2 1 +f 1 4 3 +f 3 5 1 +f 2 8 4 +f 6 2 5 +f 6 8 2 +f 4 8 3 +f 7 5 3 +f 3 8 7 +f 7 6 5 +f 8 6 7 + diff --git a/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__optical_standoff_6.mtl b/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__optical_standoff_6.mtl new file mode 100644 index 0000000000000000000000000000000000000000..f032c3840f1175311f9295aebd0c153a1f80618e --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__optical_standoff_6.mtl @@ -0,0 +1,6 @@ +newmtl thermo_orbitrapexploris__optical_standoff_6 +Kd 0.8600 0.8500 0.7800 +Ka 0 0 0 +Ks 0.05 0.05 0.05 +Ns 20 +d 1 diff --git a/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__optical_standoff_6.obj b/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__optical_standoff_6.obj new file mode 100644 index 0000000000000000000000000000000000000000..60793abccfc4963f1cc909911f5b8c01636bc1a0 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__optical_standoff_6.obj @@ -0,0 +1,24 @@ +mtllib thermo_orbitrapexploris__optical_standoff_6.mtl +usemtl thermo_orbitrapexploris__optical_standoff_6 +# https://github.com/mikedh/trimesh +v -0.01200000 -0.00600000 -0.00750000 +v -0.01200000 -0.00600000 0.00750000 +v -0.01200000 0.00600000 -0.00750000 +v -0.01200000 0.00600000 0.00750000 +v 0.01200000 -0.00600000 -0.00750000 +v 0.01200000 -0.00600000 0.00750000 +v 0.01200000 0.00600000 -0.00750000 +v 0.01200000 0.00600000 0.00750000 +f 2 4 1 +f 5 2 1 +f 1 4 3 +f 3 5 1 +f 2 8 4 +f 6 2 5 +f 6 8 2 +f 4 8 3 +f 7 5 3 +f 3 8 7 +f 7 6 5 +f 8 6 7 + diff --git a/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__optical_standoff_7.mtl b/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__optical_standoff_7.mtl new file mode 100644 index 0000000000000000000000000000000000000000..801ecaa50dce7346f7197f4cb0d9958d9166e0f0 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__optical_standoff_7.mtl @@ -0,0 +1,6 @@ +newmtl thermo_orbitrapexploris__optical_standoff_7 +Kd 0.8600 0.8500 0.7800 +Ka 0 0 0 +Ks 0.05 0.05 0.05 +Ns 20 +d 1 diff --git a/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__optical_standoff_7.obj b/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__optical_standoff_7.obj new file mode 100644 index 0000000000000000000000000000000000000000..138bd73731562b4a1c6646e59184182771487b09 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__optical_standoff_7.obj @@ -0,0 +1,24 @@ +mtllib thermo_orbitrapexploris__optical_standoff_7.mtl +usemtl thermo_orbitrapexploris__optical_standoff_7 +# https://github.com/mikedh/trimesh +v -0.01200000 -0.00600000 -0.00750000 +v -0.01200000 -0.00600000 0.00750000 +v -0.01200000 0.00600000 -0.00750000 +v -0.01200000 0.00600000 0.00750000 +v 0.01200000 -0.00600000 -0.00750000 +v 0.01200000 -0.00600000 0.00750000 +v 0.01200000 0.00600000 -0.00750000 +v 0.01200000 0.00600000 0.00750000 +f 2 4 1 +f 5 2 1 +f 1 4 3 +f 3 5 1 +f 2 8 4 +f 6 2 5 +f 6 8 2 +f 4 8 3 +f 7 5 3 +f 3 8 7 +f 7 6 5 +f 8 6 7 + diff --git a/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__orbitrap_analyzer.mtl b/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__orbitrap_analyzer.mtl new file mode 100644 index 0000000000000000000000000000000000000000..15b55095ebe1452c80f14f4a7a3c195abbf211e5 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__orbitrap_analyzer.mtl @@ -0,0 +1,6 @@ +newmtl thermo_orbitrapexploris__orbitrap_analyzer +Kd 0.6000 0.6400 0.6800 +Ka 0 0 0 +Ks 0.05 0.05 0.05 +Ns 20 +d 1 diff --git a/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__orbitrap_analyzer.obj b/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__orbitrap_analyzer.obj new file mode 100644 index 0000000000000000000000000000000000000000..e55be30ae29605069db5b1429a1f7bca100a7fe9 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__orbitrap_analyzer.obj @@ -0,0 +1,772 @@ +mtllib thermo_orbitrapexploris__orbitrap_analyzer.mtl +usemtl thermo_orbitrapexploris__orbitrap_analyzer +# https://github.com/mikedh/trimesh +v 0.03600000 0.00000000 -0.04000000 +v 0.05200000 0.00000000 -0.04000000 +v 0.05200000 0.00000000 0.04000000 +v 0.03600000 0.00000000 0.04000000 +v 0.03582665 0.00352862 -0.04000000 +v 0.05174961 0.00509689 -0.04000000 +v 0.05174961 0.00509689 0.04000000 +v 0.03582665 0.00352862 0.04000000 +v 0.03530827 0.00702325 -0.04000000 +v 0.05100083 0.01014470 -0.04000000 +v 0.05100083 0.01014470 0.04000000 +v 0.03530827 0.00702325 0.04000000 +v 0.03444985 0.01045025 -0.04000000 +v 0.04976090 0.01509480 -0.04000000 +v 0.04976090 0.01509480 0.04000000 +v 0.03444985 0.01045025 0.04000000 +v 0.03325966 0.01377660 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a/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__orbitrap_lower_support.mtl b/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__orbitrap_lower_support.mtl new file mode 100644 index 0000000000000000000000000000000000000000..08b79eee3fecaec6ff0c51acc9a6300a15d639cf --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__orbitrap_lower_support.mtl @@ -0,0 +1,6 @@ +newmtl thermo_orbitrapexploris__orbitrap_lower_support +Kd 0.6000 0.6400 0.6800 +Ka 0 0 0 +Ks 0.05 0.05 0.05 +Ns 20 +d 1 diff --git a/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__orbitrap_lower_support.obj b/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__orbitrap_lower_support.obj new file mode 100644 index 0000000000000000000000000000000000000000..8dac4f8ccd131f79cb1477c961cd79d37a84524c --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__orbitrap_lower_support.obj @@ -0,0 +1,24 @@ +mtllib thermo_orbitrapexploris__orbitrap_lower_support.mtl +usemtl thermo_orbitrapexploris__orbitrap_lower_support +# https://github.com/mikedh/trimesh +v -0.05600000 -0.05600000 -0.12500000 +v -0.05600000 -0.05600000 0.12500000 +v -0.05600000 0.05600000 -0.12500000 +v -0.05600000 0.05600000 0.12500000 +v 0.05600000 -0.05600000 -0.12500000 +v 0.05600000 -0.05600000 0.12500000 +v 0.05600000 0.05600000 -0.12500000 +v 0.05600000 0.05600000 0.12500000 +f 2 4 1 +f 5 2 1 +f 1 4 3 +f 3 5 1 +f 2 8 4 +f 6 2 5 +f 6 8 2 +f 4 8 3 +f 7 5 3 +f 3 8 7 +f 7 6 5 +f 8 6 7 + diff --git a/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__orbitrap_outer_standoffs.mtl b/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__orbitrap_outer_standoffs.mtl new file mode 100644 index 0000000000000000000000000000000000000000..029824f313ff1b9c73e2767827a1a00d759bafa4 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__orbitrap_outer_standoffs.mtl @@ -0,0 +1,6 @@ +newmtl thermo_orbitrapexploris__orbitrap_outer_standoffs +Kd 0.8600 0.8500 0.7800 +Ka 0 0 0 +Ks 0.05 0.05 0.05 +Ns 20 +d 1 diff --git a/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__orbitrap_outer_standoffs.obj b/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__orbitrap_outer_standoffs.obj new file mode 100644 index 0000000000000000000000000000000000000000..e9e035572025f154f35649824c79c6e74ac74fe6 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__orbitrap_outer_standoffs.obj @@ -0,0 +1,1164 @@ +mtllib thermo_orbitrapexploris__orbitrap_outer_standoffs.mtl +usemtl thermo_orbitrapexploris__orbitrap_outer_standoffs +# https://github.com/mikedh/trimesh +v 0.04500000 0.19000000 0.30600000 +v 0.04900000 0.19000000 0.30600000 +v 0.04900000 0.19000000 0.31800000 +v 0.04500000 0.19000000 0.31800000 +v 0.04896578 0.19052210 0.30600000 +v 0.04896578 0.19052210 0.31800000 +v 0.04886370 0.19103528 0.30600000 +v 0.04886370 0.19103528 0.31800000 +v 0.04869552 0.19153073 0.30600000 +v 0.04869552 0.19153073 0.31800000 +v 0.04846410 0.19200000 0.30600000 +v 0.04846410 0.19200000 0.31800000 +v 0.04817341 0.19243505 0.30600000 +v 0.04817341 0.19243505 0.31800000 +v 0.04782843 0.19282843 0.30600000 +v 0.04782843 0.19282843 0.31800000 +v 0.04743505 0.19317341 0.30600000 +v 0.04743505 0.19317341 0.31800000 +v 0.04700000 0.19346410 0.30600000 +v 0.04700000 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b/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__peripheral_b.mtl @@ -0,0 +1,6 @@ +newmtl thermo_orbitrapexploris__peripheral_b +Kd 0.1200 0.1300 0.1400 +Ka 0 0 0 +Ks 0.05 0.05 0.05 +Ns 20 +d 1 diff --git a/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__peripheral_b.obj b/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__peripheral_b.obj new file mode 100644 index 0000000000000000000000000000000000000000..385eed1e47efd7af0151d2bd32130b1cc621214d --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__peripheral_b.obj @@ -0,0 +1,184 @@ +mtllib thermo_orbitrapexploris__peripheral_b.mtl +usemtl thermo_orbitrapexploris__peripheral_b +# https://github.com/mikedh/trimesh +v -0.00600000 -0.01250000 -0.00750000 +v -0.00600000 -0.01250000 -0.00480000 +v -0.00600000 -0.00900000 -0.00750000 +v 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b/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__power_column.mtl new file mode 100644 index 0000000000000000000000000000000000000000..dd51b7ae1754c610e3ebe1cdf297159518dca6b4 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__power_column.mtl @@ -0,0 +1,6 @@ +newmtl thermo_orbitrapexploris__power_column +Kd 0.1200 0.1300 0.1400 +Ka 0 0 0 +Ks 0.05 0.05 0.05 +Ns 20 +d 1 diff --git a/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__power_column.obj b/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__power_column.obj new file mode 100644 index 0000000000000000000000000000000000000000..ad914d9a03a565642d802850391d3687a5e352a0 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__power_column.obj @@ -0,0 +1,24 @@ +mtllib thermo_orbitrapexploris__power_column.mtl +usemtl thermo_orbitrapexploris__power_column +# https://github.com/mikedh/trimesh +v -0.03600000 -0.02250000 -0.24000000 +v -0.03600000 -0.02250000 0.24000000 +v -0.03600000 0.02250000 -0.24000000 +v -0.03600000 0.02250000 0.24000000 +v 0.03600000 -0.02250000 -0.24000000 +v 0.03600000 -0.02250000 0.24000000 +v 0.03600000 0.02250000 -0.24000000 +v 0.03600000 0.02250000 0.24000000 +f 2 4 1 +f 5 2 1 +f 1 4 3 +f 3 5 1 +f 2 8 4 +f 6 2 5 +f 6 8 2 +f 4 8 3 +f 7 5 3 +f 3 8 7 +f 7 6 5 +f 8 6 7 + diff --git a/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__power_inlet.mtl b/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__power_inlet.mtl new file mode 100644 index 0000000000000000000000000000000000000000..dd539f39a11f2b159ed3d95038db562680e5474e --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__power_inlet.mtl @@ -0,0 +1,6 @@ +newmtl thermo_orbitrapexploris__power_inlet +Kd 0.1200 0.1300 0.1400 +Ka 0 0 0 +Ks 0.05 0.05 0.05 +Ns 20 +d 1 diff --git a/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__power_inlet.obj b/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__power_inlet.obj new file mode 100644 index 0000000000000000000000000000000000000000..28d21c65d21a513e87e8895d52df223b3df3a019 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__power_inlet.obj @@ -0,0 +1,184 @@ +mtllib thermo_orbitrapexploris__power_inlet.mtl +usemtl thermo_orbitrapexploris__power_inlet +# https://github.com/mikedh/trimesh +v -0.00600000 -0.01800000 -0.01150000 +v -0.00600000 -0.01800000 -0.00736000 +v -0.00600000 -0.01296000 -0.01150000 +v -0.00600000 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b/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__probe_upper_cap.mtl new file mode 100644 index 0000000000000000000000000000000000000000..8d5f3d0be0411b116e85fff6bd8f51cbf0f47bca --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__probe_upper_cap.mtl @@ -0,0 +1,6 @@ +newmtl thermo_orbitrapexploris__probe_upper_cap +Kd 0.1200 0.1300 0.1400 +Ka 0 0 0 +Ks 0.05 0.05 0.05 +Ns 20 +d 1 diff --git a/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__probe_upper_cap.obj b/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__probe_upper_cap.obj new file mode 100644 index 0000000000000000000000000000000000000000..3063b831fb1666917dba5bda263eac2a63141b0a --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__probe_upper_cap.obj @@ -0,0 +1,2004 @@ +mtllib thermo_orbitrapexploris__probe_upper_cap.mtl +usemtl thermo_orbitrapexploris__probe_upper_cap +# https://github.com/mikedh/trimesh +v 0.01500000 0.00850000 -0.01472243 +v 0.02300000 0.00850000 -0.01472243 +v 0.02300000 -0.00850000 0.01472243 +v 0.01500000 -0.00850000 0.01472243 +v 0.01492777 0.00977328 -0.01398730 +v 0.02288925 0.01045236 -0.01359523 +v 0.02288925 -0.00654764 0.01584963 +v 0.01492777 -0.00722672 0.01545756 +v 0.01471178 0.01103430 -0.01325925 +v 0.02255806 0.01238592 -0.01247889 +v 0.02255806 -0.00461408 0.01696597 +v 0.01471178 -0.00596570 0.01618561 +v 0.01435411 0.01227091 -0.01254530 +v 0.02200963 0.01428206 -0.01138416 +v 0.02200963 -0.00271794 0.01806071 +v 0.01435411 -0.00472909 0.01689957 +v 0.01385819 0.01347120 -0.01185231 +v 0.02124923 0.01612251 -0.01032157 +v 0.02124923 -0.00087749 0.01912329 +v 0.01385819 -0.00352880 0.01759256 +v 0.01322882 0.01462362 -0.01118696 +v 0.02028419 0.01788956 -0.00930137 +v 0.02028419 0.00088956 0.02014349 +v 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a/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__rear_panel.obj b/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__rear_panel.obj new file mode 100644 index 0000000000000000000000000000000000000000..83a8639b79eb469df18fd0dc0c01c15d6531f9b9 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__rear_panel.obj @@ -0,0 +1,24 @@ +mtllib thermo_orbitrapexploris__rear_panel.mtl +usemtl thermo_orbitrapexploris__rear_panel +# https://github.com/mikedh/trimesh +v -0.26700000 -0.00200000 -0.32600000 +v -0.26700000 -0.00200000 0.32600000 +v -0.26700000 0.00200000 -0.32600000 +v -0.26700000 0.00200000 0.32600000 +v 0.26700000 -0.00200000 -0.32600000 +v 0.26700000 -0.00200000 0.32600000 +v 0.26700000 0.00200000 -0.32600000 +v 0.26700000 0.00200000 0.32600000 +f 2 4 1 +f 5 2 1 +f 1 4 3 +f 3 5 1 +f 2 8 4 +f 6 2 5 +f 6 8 2 +f 4 8 3 +f 7 5 3 +f 3 8 7 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b/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__service_reset_recess.obj new file mode 100644 index 0000000000000000000000000000000000000000..22494a021905289fda978e3ba53693ed778c00dc --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__service_reset_recess.obj @@ -0,0 +1,294 @@ +mtllib thermo_orbitrapexploris__service_reset_recess.mtl +usemtl thermo_orbitrapexploris__service_reset_recess +# https://github.com/mikedh/trimesh +v -0.00050000 0.00000000 -0.00000000 +v -0.00050000 0.00000000 -0.00300000 +v 0.00050000 0.00000000 -0.00300000 +v 0.00050000 0.00000000 0.00000000 +v -0.00050000 0.00039158 -0.00297433 +v 0.00050000 0.00039158 -0.00297433 +v -0.00050000 0.00077646 -0.00289778 +v 0.00050000 0.00077646 -0.00289778 +v -0.00050000 0.00114805 -0.00277164 +v 0.00050000 0.00114805 -0.00277164 +v -0.00050000 0.00150000 -0.00259808 +v 0.00050000 0.00150000 -0.00259808 +v 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0.4800 +Ka 0 0 0 +Ks 0.05 0.05 0.05 +Ns 20 +d 1 diff --git a/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__source_back_connector.obj b/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__source_back_connector.obj new file mode 100644 index 0000000000000000000000000000000000000000..4ddd1d847fb25c9370f43e062c1c3c1e59a7a28c --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__source_back_connector.obj @@ -0,0 +1,24 @@ +mtllib thermo_orbitrapexploris__source_back_connector.mtl +usemtl thermo_orbitrapexploris__source_back_connector +# https://github.com/mikedh/trimesh +v -0.03000000 -0.01400000 -0.01850000 +v -0.03000000 -0.01400000 0.01850000 +v -0.03000000 0.01400000 -0.01850000 +v -0.03000000 0.01400000 0.01850000 +v 0.03000000 -0.01400000 -0.01850000 +v 0.03000000 -0.01400000 0.01850000 +v 0.03000000 0.01400000 -0.01850000 +v 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b/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__source_back_plate.obj new file mode 100644 index 0000000000000000000000000000000000000000..283c4dc638c35e22b57b7ecdbecaf0fcf8d424af --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__source_back_plate.obj @@ -0,0 +1,904 @@ +mtllib thermo_orbitrapexploris__source_back_plate.mtl +usemtl thermo_orbitrapexploris__source_back_plate +# https://github.com/mikedh/trimesh +v -0.08400000 0.04200000 -0.08800000 +v -0.08400000 0.04200000 -0.07340000 +v -0.08400000 0.04600000 -0.08800000 +v -0.08400000 0.04600000 -0.07340000 +v -0.06340000 0.04200000 -0.08800000 +v -0.06340000 0.04200000 -0.07340000 +v -0.06340000 0.04600000 -0.08800000 +v -0.06340000 0.04600000 -0.07340000 +v -0.08400000 0.04200000 -0.07340000 +v -0.08400000 0.04200000 -0.06800000 +v -0.08400000 0.04600000 -0.07340000 +v -0.08400000 0.04600000 -0.06800000 +v -0.06340000 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a/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__source_fixed_signal_socket.obj b/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__source_fixed_signal_socket.obj new file mode 100644 index 0000000000000000000000000000000000000000..a8acc95fc27800e4913db9e65c9828e37a2fbcd1 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__source_fixed_signal_socket.obj @@ -0,0 +1,24 @@ +mtllib thermo_orbitrapexploris__source_fixed_signal_socket.mtl +usemtl thermo_orbitrapexploris__source_fixed_signal_socket +# https://github.com/mikedh/trimesh +v -0.03000000 -0.00350000 -0.01150000 +v -0.03000000 -0.00350000 0.01150000 +v -0.03000000 0.00350000 -0.01150000 +v -0.03000000 0.00350000 0.01150000 +v 0.03000000 -0.00350000 -0.01150000 +v 0.03000000 -0.00350000 0.01150000 +v 0.03000000 0.00350000 -0.01150000 +v 0.03000000 0.00350000 0.01150000 +f 2 4 1 +f 5 2 1 +f 1 4 3 +f 3 5 1 +f 2 8 4 +f 6 2 5 +f 6 8 2 +f 4 8 3 +f 7 5 3 +f 3 8 7 +f 7 6 5 +f 8 6 7 + diff --git a/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__source_gas_delivery.mtl b/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__source_gas_delivery.mtl new file mode 100644 index 0000000000000000000000000000000000000000..3f247da031f512575746fa728652aa5a117a99f9 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__source_gas_delivery.mtl @@ -0,0 +1,6 @@ +newmtl thermo_orbitrapexploris__source_gas_delivery +Kd 0.6000 0.6400 0.6800 +Ka 0 0 0 +Ks 0.05 0.05 0.05 +Ns 20 +d 1 diff --git a/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__source_gas_delivery.obj b/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__source_gas_delivery.obj new file mode 100644 index 0000000000000000000000000000000000000000..74dccc1dcb232c092cd5642424188c193c5a0ac2 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__source_gas_delivery.obj @@ -0,0 +1,772 @@ +mtllib thermo_orbitrapexploris__source_gas_delivery.mtl +usemtl thermo_orbitrapexploris__source_gas_delivery +# https://github.com/mikedh/trimesh +v 0.00180000 0.00000000 -0.01000000 +v 0.00450000 0.00000000 -0.01000000 +v 0.00450000 0.00000000 0.01000000 +v 0.00180000 0.00000000 0.01000000 +v 0.00179133 0.00017643 -0.01000000 +v 0.00447833 0.00044108 -0.01000000 +v 0.00447833 0.00044108 0.01000000 +v 0.00179133 0.00017643 0.01000000 +v 0.00176541 0.00035116 -0.01000000 +v 0.00441353 0.00087791 -0.01000000 +v 0.00441353 0.00087791 0.01000000 +v 0.00176541 0.00035116 0.01000000 +v 0.00172249 0.00052251 -0.01000000 +v 0.00430623 0.00130628 -0.01000000 +v 0.00430623 0.00130628 0.01000000 +v 0.00172249 0.00052251 0.01000000 +v 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diff --git a/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__source_guide_1.mtl b/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__source_guide_1.mtl new file mode 100644 index 0000000000000000000000000000000000000000..1b7d86c6c2eb865895a923ae58795e202a51ac53 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__source_guide_1.mtl @@ -0,0 +1,6 @@ +newmtl thermo_orbitrapexploris__source_guide_1 +Kd 0.6000 0.6400 0.6800 +Ka 0 0 0 +Ks 0.05 0.05 0.05 +Ns 20 +d 1 diff --git a/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__source_guide_1.obj b/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__source_guide_1.obj new file mode 100644 index 0000000000000000000000000000000000000000..55356f6776cdce52e54acfcaf5e7ead129512178 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__source_guide_1.obj @@ -0,0 +1,294 @@ +mtllib thermo_orbitrapexploris__source_guide_1.mtl +usemtl thermo_orbitrapexploris__source_guide_1 +# https://github.com/mikedh/trimesh +v 0.00000000 0.02000000 -0.00000000 +v 0.00300000 0.02000000 -0.00000000 +v 0.00300000 -0.02000000 0.00000000 +v 0.00000000 -0.02000000 0.00000000 +v 0.00297433 0.02000000 0.00039158 +v 0.00297433 -0.02000000 0.00039158 +v 0.00289778 0.02000000 0.00077646 +v 0.00289778 -0.02000000 0.00077646 +v 0.00277164 0.02000000 0.00114805 +v 0.00277164 -0.02000000 0.00114805 +v 0.00259808 0.02000000 0.00150000 +v 0.00259808 -0.02000000 0.00150000 +v 0.00238006 0.02000000 0.00182628 +v 0.00238006 -0.02000000 0.00182628 +v 0.00212132 0.02000000 0.00212132 +v 0.00212132 -0.02000000 0.00212132 +v 0.00182628 0.02000000 0.00238006 +v 0.00182628 -0.02000000 0.00238006 +v 0.00150000 0.02000000 0.00259808 +v 0.00150000 -0.02000000 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a/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__source_window.obj b/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__source_window.obj new file mode 100644 index 0000000000000000000000000000000000000000..60a6d8a2ec69c244471c45064404d172ee4a274b --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__source_window.obj @@ -0,0 +1,390 @@ +mtllib thermo_orbitrapexploris__source_window.mtl +usemtl thermo_orbitrapexploris__source_window +# https://github.com/mikedh/trimesh +v 0.05700000 -0.00060000 0.03750000 +v 0.05692777 -0.00060000 0.03897026 +v 0.05671178 -0.00060000 0.04042635 +v 0.05635411 -0.00060000 0.04185427 +v 0.05585819 -0.00060000 0.04324025 +v 0.05522882 -0.00060000 0.04457095 +v 0.05447204 -0.00060000 0.04583355 +v 0.05359516 -0.00060000 0.04701590 +v 0.05260660 -0.00060000 0.04810660 +v 0.05151590 -0.00060000 0.04909516 +v 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b/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__spray_emitter.mtl new file mode 100644 index 0000000000000000000000000000000000000000..923f36c5d22314f1ef76e269f4516cc53b140159 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__spray_emitter.mtl @@ -0,0 +1,6 @@ +newmtl thermo_orbitrapexploris__spray_emitter +Kd 0.6000 0.6400 0.6800 +Ka 0 0 0 +Ks 0.05 0.05 0.05 +Ns 20 +d 1 diff --git a/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__spray_emitter.obj b/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__spray_emitter.obj new file mode 100644 index 0000000000000000000000000000000000000000..97d5455336e51a827e49be6b5b12eb050e5370d5 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__spray_emitter.obj @@ -0,0 +1,772 @@ +mtllib 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b/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__transfer_heater_block.mtl @@ -0,0 +1,6 @@ +newmtl thermo_orbitrapexploris__transfer_heater_block +Kd 0.6000 0.6400 0.6800 +Ka 0 0 0 +Ks 0.05 0.05 0.05 +Ns 20 +d 1 diff --git a/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__transfer_heater_block.obj b/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__transfer_heater_block.obj new file mode 100644 index 0000000000000000000000000000000000000000..8a0937ba02da3e8366049a807f0121c322883a45 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__transfer_heater_block.obj @@ -0,0 +1,164 @@ +mtllib thermo_orbitrapexploris__transfer_heater_block.mtl +usemtl thermo_orbitrapexploris__transfer_heater_block +# https://github.com/mikedh/trimesh +v -0.09950000 -0.36600000 0.45050000 +v -0.09950000 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b/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__transfer_mount_collar.mtl @@ -0,0 +1,6 @@ +newmtl thermo_orbitrapexploris__transfer_mount_collar +Kd 0.6000 0.6400 0.6800 +Ka 0 0 0 +Ks 0.05 0.05 0.05 +Ns 20 +d 1 diff --git a/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__transfer_mount_collar.obj b/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__transfer_mount_collar.obj new file mode 100644 index 0000000000000000000000000000000000000000..02e0613329139c3a136674d550109d534c2b9501 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__transfer_mount_collar.obj @@ -0,0 +1,772 @@ +mtllib thermo_orbitrapexploris__transfer_mount_collar.mtl +usemtl thermo_orbitrapexploris__transfer_mount_collar +# https://github.com/mikedh/trimesh +v 0.00350000 0.00000000 -0.01050000 +v 0.02900000 0.00000000 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b/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__turbo_pump_motor.mtl @@ -0,0 +1,6 @@ +newmtl thermo_orbitrapexploris__turbo_pump_motor +Kd 0.6000 0.6400 0.6800 +Ka 0 0 0 +Ks 0.05 0.05 0.05 +Ns 20 +d 1 diff --git a/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__turbo_pump_motor.obj b/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__turbo_pump_motor.obj new file mode 100644 index 0000000000000000000000000000000000000000..35d358ceea047673f942f3952160b97a81fb9fd3 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__turbo_pump_motor.obj @@ -0,0 +1,294 @@ +mtllib thermo_orbitrapexploris__turbo_pump_motor.mtl +usemtl thermo_orbitrapexploris__turbo_pump_motor +# https://github.com/mikedh/trimesh +v 0.00000000 0.00000000 -0.01900000 +v 0.05200000 0.00000000 -0.01900000 +v 0.05200000 0.00000000 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b/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__turbo_pump_mount.mtl new file mode 100644 index 0000000000000000000000000000000000000000..9cae0c4ff90b007cb24c4383ffb2a116a49eb60d --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__turbo_pump_mount.mtl @@ -0,0 +1,6 @@ +newmtl thermo_orbitrapexploris__turbo_pump_mount +Kd 0.6000 0.6400 0.6800 +Ka 0 0 0 +Ks 0.05 0.05 0.05 +Ns 20 +d 1 diff --git a/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__turbo_pump_mount.obj b/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__turbo_pump_mount.obj new file mode 100644 index 0000000000000000000000000000000000000000..64e91159483db3154bdb15c50520a05ef9c34b1a --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__turbo_pump_mount.obj @@ -0,0 +1,24 @@ +mtllib thermo_orbitrapexploris__turbo_pump_mount.mtl +usemtl thermo_orbitrapexploris__turbo_pump_mount +# https://github.com/mikedh/trimesh +v -0.05200000 -0.05400000 -0.06700000 +v -0.05200000 -0.05400000 0.06700000 +v -0.05200000 0.05400000 -0.06700000 +v -0.05200000 0.05400000 0.06700000 +v 0.05200000 -0.05400000 -0.06700000 +v 0.05200000 -0.05400000 0.06700000 +v 0.05200000 0.05400000 -0.06700000 +v 0.05200000 0.05400000 0.06700000 +f 2 4 1 +f 5 2 1 +f 1 4 3 +f 3 5 1 +f 2 8 4 +f 6 2 5 +f 6 8 2 +f 4 8 3 +f 7 5 3 +f 3 8 7 +f 7 6 5 +f 8 6 7 + diff --git a/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__turbo_side_neck.mtl b/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__turbo_side_neck.mtl new file mode 100644 index 0000000000000000000000000000000000000000..422ae5ad1c8a753792e9907921ddf56b6fb5797e --- /dev/null +++ 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a/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__usb_2.obj b/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__usb_2.obj new file mode 100644 index 0000000000000000000000000000000000000000..a03f3b54cce290684f6c5b278abbec8c006fd497 --- /dev/null +++ b/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/meshes/thermo_orbitrapexploris__usb_2.obj @@ -0,0 +1,184 @@ +mtllib thermo_orbitrapexploris__usb_2.mtl +usemtl thermo_orbitrapexploris__usb_2 +# https://github.com/mikedh/trimesh +v -0.00700000 0.00000000 -0.00400000 +v -0.00700000 0.00000000 -0.00250000 +v -0.00700000 0.00600000 -0.00400000 +v -0.00700000 0.00600000 -0.00250000 +v -0.00550000 0.00000000 -0.00400000 +v -0.00550000 0.00000000 -0.00250000 +v -0.00550000 0.00600000 -0.00400000 +v -0.00550000 0.00600000 -0.00250000 +v -0.00700000 0.00000000 -0.00250000 +v -0.00700000 0.00000000 0.00250000 +v -0.00700000 0.00600000 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L.; Ruttkies, C.; Krauss, M.; Brouard, C.; Kind, T.; Dührkop, K.; Allen, F.; Vaniya, A.; Verdegem, D.; Böcker, S.; et al. Critical Assessment of Small Molecule Identification 2016: Automated Methods. Journal of Cheminformatics 2017, 9 (1). DOI:10.1186/s13321-017-0207-1" + ], + "COMMENT": [ + "CONFIDENCE standard compound", + "INTERNAL_ID 8000" + ], + "CH$NAME": [ + "1,2,3-Triazole", + "1H-1,2,3-Triazole", + "2H-triazole" + ], + "CH$COMPOUND_CLASS": [ + "N/A; Environmental Standard" + ], + "CH$FORMULA": [ + "C2H3N3" + ], + "CH$EXACT_MASS": [ + "69.03270" + ], + "CH$SMILES": [ + "N1C=CN=N1" + ], + "CH$IUPAC": [ + "InChI=1S/C2H3N3/c1-2-4-5-3-1/h1-2H,(H,3,4,5)" + ], + "CH$LINK": [ + "CAS 288-35-7", + "CHEBI CHEBI:35565", + "PUBCHEM CID:67516", + "INCHIKEY QWENRTYMTSOGBR-UHFFFAOYSA-N", + "CHEMSPIDER 60839", + "COMPTOX DTXSID30870495", + "ChemOnt CHEMONTID:0000099; Organic compounds; Organoheterocyclic compounds; Azoles; Triazoles" + ], + "AC$INSTRUMENT": [ + "Q Exactive Plus Orbitrap Thermo Scientific" + ], + "AC$INSTRUMENT_TYPE": [ + "LC-ESI-QFT" + ], + "AC$MASS_SPECTROMETRY": [ + "MS_TYPE MS2", + "ION_MODE POSITIVE", + "IONIZATION ESI", + "FRAGMENTATION_MODE HCD", + "COLLISION_ENERGY 35 (nominal)", + "RESOLUTION 35000" + ], + "AC$CHROMATOGRAPHY": [ + "COLUMN_NAME Kinetex C18 EVO 2.6 um, 2.1x50 mm, precolumn 2.1x5 mm, Phenomenex", + "FLOW_GRADIENT 95/5 at 0 min, 95/5 at 1 min, 0/100 at 13 min, 0/100 at 24 min", + "FLOW_RATE 300 uL/min", + "RETENTION_TIME 0.582 min", + "SOLVENT A water with 0.1% formic acid", + "SOLVENT B methanol with 0.1% formic acid" + ], + "MS$FOCUSED_ION": [ + "BASE_PEAK 70.04", + "PRECURSOR_M/Z 70.04", + "PRECURSOR_TYPE [M+H]+" + ], + "MS$DATA_PROCESSING": [ + "RECALIBRATE loess on assigned fragments and MS1", + "REANALYZE Peaks with additional N2/O included", + "WHOLE RMassBank 2.3.1" + ], + "PK$SPLASH": [ + "splash10-00di-9000000000-b5ce3367b3b519efcfc4" + ], + "PK$ANNOTATION": [ + "m/z tentative_formula formula_count mass error(ppm)" + ], + "PK$NUM_PEAK": [ + "1" + ], + "PK$PEAK": [ + "m/z int. rel.int." + ] + }, + "limitations": [ + "Source Q Exactive Plus differs from target Exploris120. Fixed MS2 spectrum transfer requires explicit host acceptance.", + "35000 source resolving power is not a selectable Exploris120 resolving-power setting; resampling does not create original resolution.", + "Polarity/adduct and reported nominal NCE are retained, but record35 versus paper stepped20/35/50 remains unresolved; even nominally matching NCE requires explicit source-condition transfer acceptance.", + "Source intensity is not concentration calibration, detector count, current or FT transient.", + "Precursor formula and mass reference are not a certified calibrant assignment; current mass-scale and response require explicit model observations.", + "All MS1 isotope probabilities are theoretical natural-isotope references; no actual ESI response or solvent-specific adduct equilibrium is claimed.", + "A single-peak MS2 record is a valid reference but does not establish a rich structural fragmentation pattern or unique molecular structure." + ] + }, + "sm800201": { + "substance_id": "sm800201", + "accession": "MSBNK-CASMI_2016-SM800201", + "name_en": "1-Naphthylamine", + "names": [ + "1-Naphthylamine", + "1-Aminonaphthalene", + "naphthalen-1-amine" + ], + "formula": "C10H9N", + "element_counts": { + "C": 10, + "H": 9, + "N": 1 + }, + "inchikey": "RUFPHBVGCFYCNW-UHFFFAOYSA-N", + "inchi": "InChI=1S/C10H9N/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7H,11H2", + "smiles": "NC1=CC=CC2=CC=CC=C12", + "cas": "134-32-7", + "pubchem_cid": "CID:8640", + "molar_mass_kg_mol": 0.1431855289653003, + "molar_mass_evidence": "derived approximate average from NIST representative isotope composition, not current specimen isotopic mass", + "source_neutral_exact_mass_u": 143.0735, + "neutral_exact_mass_u": 143.0734992945, + "neutral_exact_mass_evidence": "derived from most abundant NIST isotope of each element, source rounded CH$EXACT_MASS retained separately", + "precursor_mz": 144.0808, + "precursor_mz_si_kg_c": 1.4932922650602628e-06, + "precursor_mz_evidence": "reported precursor selection/reference setting, not independently available MS1 centroid data", + "derived_precursor_mz": 144.0807757610789, + "precursor_charge": 1, + "precursor_type": "[M+H]+", + "polarity": "positive", + "ionization": "ESI", + "fragmentation_mode": "HCD", + "instrument_type": "LC-ESI-QFT", + "instrument": "Q Exactive Plus Orbitrap Thermo Scientific", + "collision_energy": { + "value": 35.0, + "unit": "NCE", + "fraction": 0.35, + "raw": "35 (nominal)", + "unit_evidence": "RECORD_TITLE explicitly names NCE; no conversion to eV or V", + "paper_stepped_nce": [ + 20.0, + 35.0, + 50.0 + ], + "single_energy_verified": false, + "conflict": "Record labels35 NCE but cited paper Methods reports stepped20/35/50; cannot infer this is a pure35 spectrum." + }, + "source_resolution_200": 35000.0, + "source_resolution_evidence": "35000 nominal MS/MS resolving power at m/z200 documented in CASMI publication methods", + "conditions": { + "chromatography_raw": [ + "COLUMN_NAME Kinetex C18 EVO 2.6 um, 2.1x50 mm, precolumn 2.1x5 mm, Phenomenex", + "FLOW_GRADIENT 95/5 at 0 min, 95/5 at 1 min, 0/100 at 13 min, 0/100 at 24 min", + "FLOW_RATE 300 uL/min", + "RETENTION_TIME 2.789 min", + "SOLVENT A water with 0.1% formic acid", + "SOLVENT B methanol with 0.1% formic acid" + ], + "spectrometry_raw": [ + "MS_TYPE MS2", + "ION_MODE POSITIVE", + "IONIZATION ESI", + "FRAGMENTATION_MODE HCD", + "COLLISION_ENERGY 35 (nominal)", + "RESOLUTION 35000" + ], + "data_processing_raw": [ + "RECALIBRATE loess on assigned fragments and MS1", + "REANALYZE Peaks with additional N2/O included", + "WHOLE RMassBank 2.3.1" + ], + "confidence_raw": [ + "CONFIDENCE standard compound", + "INTERNAL_ID 8002" + ], + "sample_concentration_kg_m3": null, + "temperature_k": null, + "electronic_profile_available": false, + "measured_on_exploris120": false + }, + "record_kind": "measured_processed_ms2_reference", + "physical_input_eligible": true, + "mass_reference_eligible": true, + "concentration_calibration_eligible": false, + "ms1_measured": null, + "single_peak_only": false, + "derived_ms1": { + "mass_to_charge_relative": [ + 144.0807757585789, + 145.0778106535789, + 145.0841305935789, + 145.0870525045789, + 146.0811654885789, + 146.0840873995789, + 146.0874854285789, + 146.0904073395789, + 146.0933292505789, + 147.08452032357891, + 147.0874422345789, + 147.0903641455789, + 147.0908402635789, + 147.0937621745789, + 147.09668408557891, + 148.0878751585789, + 148.0907970695789, + 148.0937189805789, + 148.0941950985789, + 148.0971170095789, + 148.1000389205789, + 149.0912299935789, + 149.0941519045789, + 149.0975499335789, + 149.1004718445789, + 150.0945848285789, + 150.1009047685789 + ], + "mass_to_charge_si_kg_c": [ + 1.4932920138156373e-06, + 1.5036255523349865e-06, + 1.5036910538974267e-06, + 1.5037213373709745e-06, + 1.5140245924167763e-06, + 1.5140548758903237e-06, + 1.5140900939792167e-06, + 1.5141203774527638e-06, + 1.5141506609263116e-06, + 1.524423632498566e-06, + 1.5244539159721132e-06, + 1.5244841994456608e-06, + 1.5244891340610062e-06, + 1.5245194175345534e-06, + 1.5245497010081012e-06, + 1.5348226725803556e-06, + 1.534852956053903e-06, + 1.5348832395274504e-06, + 1.5348881741427958e-06, + 1.5349184576163434e-06, + 1.5349487410898905e-06, + 1.5452217126621452e-06, + 1.5452519961356925e-06, + 1.5452872142245853e-06, + 1.5453174976981327e-06, + 1.5556207527439345e-06, + 1.5556862543063753e-06 + ], + "probability": [ + 0.8938133852163576, + 0.00326536665681836, + 0.09667242718907332, + 0.0009252032520729184, + 0.000353173185362948, + 3.3800431947744016e-06, + 0.004705122176441807, + 0.00010006746989972933, + 4.256424448346984e-07, + 1.718921345923981e-05, + 3.6557628812378535e-07, + 1.554998694446086e-09, + 0.00013570486145200942, + 4.870361544194853e-06, + 4.603633033186366e-08, + 4.9577029957577e-07, + 1.779288211175606e-08, + 1.6818443374682216e-10, + 2.5685570915686604e-06, + 1.404706857316889e-07, + 2.1783844270295847e-09, + 9.383704497681484e-09, + 5.131812759076514e-10, + 3.3336978728132625e-08, + 2.6587623474435205e-09, + 1.2178991787145483e-10, + 1.8028185201203838e-10 + ], + "relative_intensity": [ + 1.0, + 0.0036532980047372433, + 0.10815728292732232, + 0.0010351190386894491, + 0.0003951307859161882, + 3.7815983187096984e-06, + 0.005264099032599383, + 0.00011195566273099264, + 4.762095218921642e-07, + 1.923132249253458e-05, + 4.090073992741712e-07, + 1.73973529616552e-09, + 0.00015182683958034544, + 5.448969130190334e-06, + 5.150552799197569e-08, + 5.546686901044375e-07, + 1.990670805119918e-08, + 1.8816504264602307e-10, + 2.873706227779205e-06, + 1.5715885223366442e-07, + 2.4371803589652914e-09, + 1.049850522814676e-08, + 5.741481212920415e-10, + 3.7297470903350855e-08, + 2.9746280279746956e-09, + 1.3625877603295704e-10, + 2.016996556483646e-10 + ], + "retained_probability": 0.9999999995679653, + "excluded_probability": 4.3203474131559005e-10, + "evidence": "derived", + "source": [ + "nist_isotopes", + "codata2022_u", + "codata2022_e", + "codata2022_me", + "codata2022_mp" + ], + "unit": "1", + "method": "Independent natural elemental abundances normalized per element; atomic masses each rounded once to 1e-9 u and exactly summed as integer nano-u during atom convolution; prune probability<1e-10 and cap4096 states after each atom. No renormalization of retained probabilities. Positive neutral molecule adds fixed CODATA proton; negative molecule loses one natural H atom and gains CODATA electron. Electron/proton binding-energy conventions are molecular mass approximations, not measured MS1 or isotope response.", + "physical_scope": "Derived isotope-composition probabilities, not response/ionization efficiency; instrument-resolved profile is synthetic." + }, + "ms2": { + "mass_to_charge_relative": [ + 103.0542, + 115.054, + 117.0699, + 127.0542, + 128.0622, + 143.0729, + 144.0807, + 155.0603 + ], + "mass_to_charge_si_kg_c": [ + 1.068081519133523e-06, + 1.1924506822855194e-06, + 1.213344013507549e-06, + 1.3168239911453823e-06, + 1.3272711749698805e-06, + 1.4828461176627312e-06, + 1.4932912286332962e-06, + 1.6070867638708549e-06 + ], + "raw_intensity": [ + 1141218.4, + 166403.6, + 3448082.0, + 862684.3, + 286215.4, + 4144633.5, + 123814824.0, + 3488676.2 + ], + "raw_intensity_unit": "unspecified instrument intensity, not counts/A/C", + "published_relative_intensity": [ + 9, + 1, + 27, + 6, + 2, + 33, + 999, + 28 + ], + "relative_intensity": [ + 0.009217138652153638, + 0.0013439715425351652, + 0.02784870089545982, + 0.006967536455893198, + 0.0023116408096658927, + 0.033474452945957425, + 1.0, + 0.028176563090700674 + ], + "normalization": "all original raw-intensity values divided by their original maximum; full spectrum retained, no mass-domain renormalization", + "relative_intensity_unit": "1", + "evidence": "measured_literature", + "source": "massbank_sm800201", + "annotations_raw": [ + { + "line": 48, + "raw": " 103.0542 C8H7+ 1 103.0542 -0.03" + }, + { + "line": 49, + "raw": " 115.054 C9H7+ 1 115.0542 -1.92" + }, + { + "line": 50, + "raw": " 117.0699 C9H9+ 1 117.0699 0.08" + }, + { + "line": 51, + "raw": " 127.0542 C10H7+ 1 127.0542 -0.13" + }, + { + "line": 52, + "raw": " 128.0622 C10H8+ 1 128.0621 1.24" + }, + { + "line": 53, + "raw": " 143.0729 C10H9N+ 1 143.073 -0.03" + }, + { + "line": 54, + "raw": " 144.0807 C10H10N+ 1 144.0808 -0.19" + }, + { + "line": 55, + "raw": " 155.0603 C10H7N2+ 1 155.0604 -0.18" + } + ], + "source_peak_count": 8, + "original_acquisition_type": "processed centroid peak table, loess recalibrated by RMassBank; not unprocessed detector electronics" + }, + "range_40_3000": { + "original_indices": [ + 0, + 1, + 2, + 3, + 4, + 5, + 6, + 7 + ], + "retained_raw_intensity_fraction": 1.0, + "meaning": "Fraction of sums of reported intensities, not analyte yield/ion count/charge/mass" + }, + "source": "massbank_sm800201", + "evidence": "measured_literature", + "source_field_lines": { + "ACCESSION": [ + 1 + ], + "RECORD_TITLE": [ + 2 + ], + "DATE": [ + 3 + ], + "AUTHORS": [ + 4 + ], + "LICENSE": [ + 5 + ], + "COPYRIGHT": [ + 6 + ], + "PUBLICATION": [ + 7 + ], + "COMMENT": [ + 8, + 9 + ], + "CH$NAME": [ + 10, + 11, + 12 + ], + "CH$COMPOUND_CLASS": [ + 13 + ], + "CH$FORMULA": [ + 14 + ], + "CH$EXACT_MASS": [ + 15 + ], + "CH$SMILES": [ + 16 + ], + "CH$IUPAC": [ + 17 + ], + "CH$LINK": [ + 18, + 19, + 20, + 21, + 22, + 23, + 24, + 25 + ], + "AC$INSTRUMENT": [ + 26 + ], + "AC$INSTRUMENT_TYPE": [ + 27 + ], + "AC$MASS_SPECTROMETRY": [ + 28, + 29, + 30, + 31, + 32, + 33 + ], + "AC$CHROMATOGRAPHY": [ + 34, + 35, + 36, + 37, + 38, + 39 + ], + "MS$FOCUSED_ION": [ + 40, + 41, + 42 + ], + "MS$DATA_PROCESSING": [ + 43, + 44, + 45 + ], + "PK$SPLASH": [ + 46 + ], + "PK$ANNOTATION": [ + 47 + ], + "PK$NUM_PEAK": [ + 56 + ], + "PK$PEAK": [ + 57 + ] + }, + "source_headers": { + "ACCESSION": [ + "MSBNK-CASMI_2016-SM800201" + ], + "RECORD_TITLE": [ + "1-Naphthylamine; LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M+H]+" + ], + "DATE": [ + "2016.12.12" + ], + "AUTHORS": [ + "Krauss M, Schymanski EL, Weidauer C, Schupke H, UFZ and Eawag" + ], + "LICENSE": [ + "CC BY" + ], + "COPYRIGHT": [ + "Copyright (C) 2016 UFZ/Eawag" + ], + "PUBLICATION": [ + "Schymanski, E. L.; Ruttkies, C.; Krauss, M.; Brouard, C.; Kind, T.; Dührkop, K.; Allen, F.; Vaniya, A.; Verdegem, D.; Böcker, S.; et al. Critical Assessment of Small Molecule Identification 2016: Automated Methods. Journal of Cheminformatics 2017, 9 (1). DOI:10.1186/s13321-017-0207-1" + ], + "COMMENT": [ + "CONFIDENCE standard compound", + "INTERNAL_ID 8002" + ], + "CH$NAME": [ + "1-Naphthylamine", + "1-Aminonaphthalene", + "naphthalen-1-amine" + ], + "CH$COMPOUND_CLASS": [ + "N/A; Environmental Standard" + ], + "CH$FORMULA": [ + "C10H9N" + ], + "CH$EXACT_MASS": [ + "143.07350" + ], + "CH$SMILES": [ + "NC1=CC=CC2=CC=CC=C12" + ], + "CH$IUPAC": [ + "InChI=1S/C10H9N/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7H,11H2" + ], + "CH$LINK": [ + "CAS 134-32-7", + "CHEBI CHEBI:50450", + "KEGG C14790", + "PUBCHEM CID:8640", + "INCHIKEY RUFPHBVGCFYCNW-UHFFFAOYSA-N", + "CHEMSPIDER 8319", + "COMPTOX DTXSID7020920", + "ChemOnt CHEMONTID:0000023; Organic compounds; Benzenoids; Naphthalenes" + ], + "AC$INSTRUMENT": [ + "Q Exactive Plus Orbitrap Thermo Scientific" + ], + "AC$INSTRUMENT_TYPE": [ + "LC-ESI-QFT" + ], + "AC$MASS_SPECTROMETRY": [ + "MS_TYPE MS2", + "ION_MODE POSITIVE", + "IONIZATION ESI", + "FRAGMENTATION_MODE HCD", + "COLLISION_ENERGY 35 (nominal)", + "RESOLUTION 35000" + ], + "AC$CHROMATOGRAPHY": [ + "COLUMN_NAME Kinetex C18 EVO 2.6 um, 2.1x50 mm, precolumn 2.1x5 mm, Phenomenex", + "FLOW_GRADIENT 95/5 at 0 min, 95/5 at 1 min, 0/100 at 13 min, 0/100 at 24 min", + "FLOW_RATE 300 uL/min", + "RETENTION_TIME 2.789 min", + "SOLVENT A water with 0.1% formic acid", + "SOLVENT B methanol with 0.1% formic acid" + ], + "MS$FOCUSED_ION": [ + "BASE_PEAK 144.0806", + "PRECURSOR_M/Z 144.0808", + "PRECURSOR_TYPE [M+H]+" + ], + "MS$DATA_PROCESSING": [ + "RECALIBRATE loess on assigned fragments and MS1", + "REANALYZE Peaks with additional N2/O included", + "WHOLE RMassBank 2.3.1" + ], + "PK$SPLASH": [ + "splash10-0006-0900000000-6d8b297b57b14448854b" + ], + "PK$ANNOTATION": [ + "m/z tentative_formula formula_count mass error(ppm)" + ], + "PK$NUM_PEAK": [ + "8" + ], + "PK$PEAK": [ + "m/z int. rel.int." + ] + }, + "limitations": [ + "Source Q Exactive Plus differs from target Exploris120. Fixed MS2 spectrum transfer requires explicit host acceptance.", + "35000 source resolving power is not a selectable Exploris120 resolving-power setting; resampling does not create original resolution.", + "Polarity/adduct and reported nominal NCE are retained, but record35 versus paper stepped20/35/50 remains unresolved; even nominally matching NCE requires explicit source-condition transfer acceptance.", + "Source intensity is not concentration calibration, detector count, current or FT transient.", + "Precursor formula and mass reference are not a certified calibrant assignment; current mass-scale and response require explicit model observations.", + "All MS1 isotope probabilities are theoretical natural-isotope references; no actual ESI response or solvent-specific adduct equilibrium is claimed.", + "A single-peak MS2 record is a valid reference but does not establish a rich structural fragmentation pattern or unique molecular structure." + ] + }, + "sm800553": { + "substance_id": "sm800553", + "accession": "MSBNK-CASMI_2016-SM800553", + "name_en": "2,3-Dihydroxybiphenyl", + "names": [ + "2,3-Dihydroxybiphenyl", + "Biphenyl-2,3-diol", + "3-phenylbenzene-1,2-diol" + ], + "formula": "C12H10O2", + "element_counts": { + "C": 12, + "H": 10, + "O": 2 + }, + "inchikey": "YKOQAAJBYBTSBS-UHFFFAOYSA-N", + "inchi": "InChI=1S/C12H10O2/c13-11-8-4-7-10(12(11)14)9-5-2-1-3-6-9/h1-8,13-14H", + "smiles": "OC1=CC=CC(=C1O)C1=CC=CC=C1", + "cas": "1133-63-7", + "pubchem_cid": "CID:254", + "molar_mass_kg_mol": 0.1862070481500173, + "molar_mass_evidence": "derived approximate average from NIST representative isotope composition, not current specimen isotopic mass", + "source_neutral_exact_mass_u": 186.06808, + "neutral_exact_mass_u": 186.06807956144002, + "neutral_exact_mass_evidence": "derived from most abundant NIST isotope of each element, source rounded CH$EXACT_MASS retained separately", + "precursor_mz": 185.0608, + "precursor_mz_si_kg_c": 1.9180200360205125e-06, + 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L.; Ruttkies, C.; Krauss, M.; Brouard, C.; Kind, T.; Dührkop, K.; Allen, F.; Vaniya, A.; Verdegem, D.; Böcker, S.; et al. Critical Assessment of Small Molecule Identification 2016: Automated Methods. Journal of Cheminformatics 2017, 9 (1). DOI:10.1186/s13321-017-0207-1" + ], + "COMMENT": [ + "CONFIDENCE Reference Standard (Level 1)", + "INTERNAL_ID 8005" + ], + "CH$NAME": [ + "2,3-Dihydroxybiphenyl", + "Biphenyl-2,3-diol", + "3-phenylbenzene-1,2-diol" + ], + "CH$COMPOUND_CLASS": [ + "N/A; Environmental Standard" + ], + "CH$FORMULA": [ + "C12H10O2" + ], + "CH$EXACT_MASS": [ + "186.06808" + ], + "CH$SMILES": [ + "OC1=CC=CC(=C1O)C1=CC=CC=C1" + ], + "CH$IUPAC": [ + "InChI=1S/C12H10O2/c13-11-8-4-7-10(12(11)14)9-5-2-1-3-6-9/h1-8,13-14H" + ], + "CH$LINK": [ + "CAS 1133-63-7", + "CHEBI CHEBI:16205", + "KEGG C02526", + "PUBCHEM CID:254", + "INCHIKEY YKOQAAJBYBTSBS-UHFFFAOYSA-N", + "CHEMSPIDER 249", + "COMPTOX DTXSID60150353", + "ChemOnt CHEMONTID:0000041; Organic compounds; Benzenoids; Benzene and substituted derivatives; Biphenyls and derivatives" + ], + "AC$INSTRUMENT": [ + "Q Exactive Plus Orbitrap Thermo Scientific" + ], + "AC$INSTRUMENT_TYPE": [ + "LC-ESI-QFT" + ], + "AC$MASS_SPECTROMETRY": [ + "MS_TYPE MS2", + "ION_MODE NEGATIVE", + "IONIZATION ESI", + "FRAGMENTATION_MODE HCD", + "COLLISION_ENERGY 35 (nominal)", + "RESOLUTION 35000" + ], + "AC$CHROMATOGRAPHY": [ + "COLUMN_NAME Kinetex C18 EVO 2.6 um, 2.1x50 mm, precolumn 2.1x5 mm, Phenomenex", + "FLOW_GRADIENT 95/5 at 0 min, 95/5 at 1 min, 0/100 at 13 min, 0/100 at 24 min", + "FLOW_RATE 300 uL/min", + "RETENTION_TIME 9.719 min", + "SOLVENT A water with 0.1% formic acid", + "SOLVENT B methanol with 0.1% formic acid" + ], + "MS$FOCUSED_ION": [ + "BASE_PEAK 91.0022", + "PRECURSOR_M/Z 185.0608", + "PRECURSOR_TYPE [M-H]-" + ], + "MS$DATA_PROCESSING": [ + "RECALIBRATE loess on assigned fragments and MS1", + "REANALYZE Peaks with additional N2/O included", + "WHOLE RMassBank 2.3.1" + ], + "PK$SPLASH": [ + "splash10-000i-0900000000-3b0a59c9e665aa24297e" + ], + "PK$ANNOTATION": [ + "m/z tentative_formula formula_count mass error(ppm)" + ], + "PK$NUM_PEAK": [ + "7" + ], + "PK$PEAK": [ + "m/z int. rel.int." + ] + }, + "limitations": [ + "Source Q Exactive Plus differs from target Exploris120. Fixed MS2 spectrum transfer requires explicit host acceptance.", + "35000 source resolving power is not a selectable Exploris120 resolving-power setting; resampling does not create original resolution.", + "Polarity/adduct and reported nominal NCE are retained, but record35 versus paper stepped20/35/50 remains unresolved; even nominally matching NCE requires explicit source-condition transfer acceptance.", + "Source intensity is not concentration calibration, detector count, current or FT transient.", + "Precursor formula and mass reference are not a certified calibrant assignment; current mass-scale and response require explicit model observations.", + "All MS1 isotope probabilities are theoretical natural-isotope references; no actual ESI response or solvent-specific adduct equilibrium is claimed.", + "A single-peak MS2 record is a valid reference but does not establish a rich structural fragmentation pattern or unique molecular structure." + ] + }, + "sm800653": { + "substance_id": 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"codata2022_u", + "codata2022_e", + "codata2022_me", + "codata2022_mp" + ], + "unit": "1", + "method": "Independent natural elemental abundances normalized per element; atomic masses each rounded once to 1e-9 u and exactly summed as integer nano-u during atom convolution; prune probability<1e-10 and cap4096 states after each atom. No renormalization of retained probabilities. Positive neutral molecule adds fixed CODATA proton; negative molecule loses one natural H atom and gains CODATA electron. Electron/proton binding-energy conventions are molecular mass approximations, not measured MS1 or isotope response.", + "physical_scope": "Derived isotope-composition probabilities, not response/ionization efficiency; instrument-resolved profile is synthetic." + }, + "ms2": { + "mass_to_charge_relative": [ + 168.9295, + 248.8557 + ], + "mass_to_charge_si_kg_c": [ + 1.7508308927386412e-06, + 2.5792075830100694e-06 + ], + "raw_intensity": [ + 4415.2, + 306733.6 + ], + "raw_intensity_unit": "unspecified instrument intensity, not counts/A/C", + "published_relative_intensity": [ + 14, + 999 + ], + "relative_intensity": [ + 0.014394249602912756, + 1.0 + ], + "normalization": "all original raw-intensity values divided by their original maximum; full spectrum retained, no mass-domain renormalization", + "relative_intensity_unit": "1", + "evidence": "measured_literature", + "source": "massbank_sm800653", + "annotations_raw": [ + { + "line": 46, + "raw": " 168.9295 C6H2BrO- 1 168.9295 0.52" + }, + { + "line": 47, + "raw": " 248.8557 C6H3Br2O- 1 248.8556 0.23" + } + ], + "source_peak_count": 2, + "original_acquisition_type": "processed centroid peak table, loess recalibrated by RMassBank; not unprocessed detector electronics" + }, + "range_40_3000": { + "original_indices": [ + 0, + 1 + ], + "retained_raw_intensity_fraction": 1.0, + "meaning": "Fraction of sums of reported intensities, not analyte yield/ion count/charge/mass" + }, + "source": "massbank_sm800653", + "evidence": "measured_literature", + "source_field_lines": { + "ACCESSION": [ + 1 + ], + "RECORD_TITLE": [ + 2 + ], + "DATE": [ + 3 + ], + "AUTHORS": [ + 4 + ], + "LICENSE": [ + 5 + ], + "COPYRIGHT": [ + 6 + ], + "PUBLICATION": [ + 7 + ], + "COMMENT": [ + 8, + 9 + ], + "CH$NAME": [ + 10 + ], + "CH$COMPOUND_CLASS": [ + 11 + ], + "CH$FORMULA": [ + 12 + ], + "CH$EXACT_MASS": [ + 13 + ], + "CH$SMILES": [ + 14 + ], + "CH$IUPAC": [ + 15 + ], + "CH$LINK": [ + 16, + 17, + 18, + 19, + 20, + 21, + 22, + 23 + ], + "AC$INSTRUMENT": [ + 24 + ], + "AC$INSTRUMENT_TYPE": [ + 25 + ], + "AC$MASS_SPECTROMETRY": [ + 26, + 27, + 28, + 29, + 30, + 31 + ], + "AC$CHROMATOGRAPHY": [ + 32, + 33, + 34, + 35, + 36, + 37 + ], + "MS$FOCUSED_ION": [ + 38, + 39, + 40 + ], + "MS$DATA_PROCESSING": [ + 41, + 42, + 43 + ], + "PK$SPLASH": [ + 44 + ], + "PK$ANNOTATION": [ + 45 + ], + "PK$NUM_PEAK": [ + 48 + ], + "PK$PEAK": [ + 49 + ] + }, + "source_headers": { + "ACCESSION": [ + "MSBNK-CASMI_2016-SM800653" + ], + "RECORD_TITLE": [ + "2,4-Dibromphenol; LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M-H]-" + ], + "DATE": [ + "2016.12.12" + ], + "AUTHORS": [ + "Krauss M, Schymanski EL, Weidauer C, Schupke H, UFZ and Eawag" + ], + "LICENSE": [ + "CC BY" + ], + "COPYRIGHT": [ + "Copyright (C) 2016 UFZ/Eawag" + ], + "PUBLICATION": [ + "Schymanski, E. L.; Ruttkies, C.; Krauss, M.; Brouard, C.; Kind, T.; Dührkop, K.; Allen, F.; Vaniya, A.; Verdegem, D.; Böcker, S.; et al. Critical Assessment of Small Molecule Identification 2016: Automated Methods. Journal of Cheminformatics 2017, 9 (1). DOI:10.1186/s13321-017-0207-1" + ], + "COMMENT": [ + "CONFIDENCE Reference Standard (Level 1)", + "INTERNAL_ID 8006" + ], + "CH$NAME": [ + "2,4-Dibromphenol" + ], + "CH$COMPOUND_CLASS": [ + "N/A; Environmental Standard" + ], + "CH$FORMULA": [ + "C6H4Br2O" + ], + "CH$EXACT_MASS": [ + "249.86289" + ], + "CH$SMILES": [ + "OC1=C(Br)C=C(Br)C=C1" + ], + "CH$IUPAC": [ + "InChI=1S/C6H4Br2O/c7-4-1-2-6(9)5(8)3-4/h1-3,9H" + ], + "CH$LINK": [ + "CAS 615-58-7", + "CHEBI CHEBI:34238", + "KEGG C14521", + "PUBCHEM CID:12005", + "INCHIKEY FAXWFCTVSHEODL-UHFFFAOYSA-N", + "CHEMSPIDER 11510", + "COMPTOX DTXSID1052290", + "ChemOnt CHEMONTID:0002320; Organic compounds; Benzenoids; Phenols; Halophenols" + ], + "AC$INSTRUMENT": [ + "Q Exactive Plus Orbitrap Thermo Scientific" + ], + "AC$INSTRUMENT_TYPE": [ + "LC-ESI-QFT" + ], + "AC$MASS_SPECTROMETRY": [ + "MS_TYPE MS2", + "ION_MODE NEGATIVE", + "IONIZATION ESI", + "FRAGMENTATION_MODE HCD", + "COLLISION_ENERGY 35 (nominal)", + "RESOLUTION 35000" + ], + "AC$CHROMATOGRAPHY": [ + "COLUMN_NAME Kinetex C18 EVO 2.6 um, 2.1x50 mm, precolumn 2.1x5 mm, Phenomenex", + "FLOW_GRADIENT 95/5 at 0 min, 95/5 at 1 min, 0/100 at 13 min, 0/100 at 24 min", + "FLOW_RATE 300 uL/min", + "RETENTION_TIME 10.665 min", + "SOLVENT A water with 0.1% formic acid", + "SOLVENT B methanol with 0.1% formic acid" + ], + "MS$FOCUSED_ION": [ + "BASE_PEAK 91.0021", + "PRECURSOR_M/Z 248.8556", + "PRECURSOR_TYPE [M-H]-" + ], + "MS$DATA_PROCESSING": [ + "RECALIBRATE loess on assigned fragments and MS1", + "REANALYZE Peaks with additional N2/O included", + "WHOLE RMassBank 2.3.1" + ], + "PK$SPLASH": [ + "splash10-0002-0090000000-b6a35a6269602c894685" + ], + "PK$ANNOTATION": [ + "m/z tentative_formula formula_count mass error(ppm)" + ], + "PK$NUM_PEAK": [ + "2" + ], + "PK$PEAK": [ + "m/z int. rel.int." + ] + }, + "limitations": [ + "Source Q Exactive Plus differs from target Exploris120. Fixed MS2 spectrum transfer requires explicit host acceptance.", + "35000 source resolving power is not a selectable Exploris120 resolving-power setting; resampling does not create original resolution.", + "Polarity/adduct and reported nominal NCE are retained, but record35 versus paper stepped20/35/50 remains unresolved; even nominally matching NCE requires explicit source-condition transfer acceptance.", + "Source intensity is not concentration calibration, detector count, current or FT transient.", + "Precursor formula and mass reference are not a certified calibrant assignment; current mass-scale and response require explicit model observations.", + "All MS1 isotope probabilities are theoretical natural-isotope references; no actual ESI response or solvent-specific adduct equilibrium is claimed.", + "A single-peak MS2 record is a valid reference but does not establish a rich structural fragmentation pattern or unique molecular structure." + ] + }, + "sm800802": { + "substance_id": "sm800802", + "accession": "MSBNK-CASMI_2016-SM800802", + "name_en": "2-Aminoanthracene", + "names": [ + "2-Aminoanthracene", + "anthracen-2-amine" + ], + "formula": "C14H11N", + "element_counts": { + "C": 14, + "H": 11, + "N": 1 + }, + "inchikey": "YCSBALJAGZKWFF-UHFFFAOYSA-N", + "inchi": "InChI=1S/C14H11N/c15-14-6-5-12-7-10-3-1-2-4-11(10)8-13(12)9-14/h1-9H,15H2", + "smiles": "NC1=CC2=CC3=CC=CC=C3C=C2C=C1", + "cas": "613-13-8", + "pubchem_cid": "CID:11937", + "molar_mass_kg_mol": 0.19324435406035284, + "molar_mass_evidence": "derived approximate average from NIST representative isotope composition, not current specimen isotopic mass", + "source_neutral_exact_mass_u": 193.08915, + "neutral_exact_mass_u": 193.08914935896, + "neutral_exact_mass_evidence": "derived from most abundant NIST isotope of each element, source rounded CH$EXACT_MASS retained separately", + "precursor_mz": 194.0964, + "precursor_mz_si_kg_c": 2.0116674310251106e-06, + "precursor_mz_evidence": "reported precursor selection/reference setting, not independently available MS1 centroid data", + "derived_precursor_mz": 194.0964258255389, + "precursor_charge": 1, + "precursor_type": "[M+H]+", + "polarity": "positive", + "ionization": "ESI", + "fragmentation_mode": "HCD", + "instrument_type": "LC-ESI-QFT", + "instrument": "Q Exactive Plus Orbitrap Thermo Scientific", + "collision_energy": { + "value": 35.0, + "unit": "NCE", + "fraction": 0.35, + "raw": "35 (nominal)", + "unit_evidence": "RECORD_TITLE explicitly names NCE; 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L.; Ruttkies, C.; Krauss, M.; Brouard, C.; Kind, T.; Dührkop, K.; Allen, F.; Vaniya, A.; Verdegem, D.; Böcker, S.; et al. Critical Assessment of Small Molecule Identification 2016: Automated Methods. Journal of Cheminformatics 2017, 9 (1). DOI:10.1186/s13321-017-0207-1" + ], + "COMMENT": [ + "CONFIDENCE standard compound", + "INTERNAL_ID 8008" + ], + "CH$NAME": [ + "2-Aminoanthracene", + "anthracen-2-amine" + ], + "CH$COMPOUND_CLASS": [ + "N/A; Environmental Standard" + ], + "CH$FORMULA": [ + "C14H11N" + ], + "CH$EXACT_MASS": [ + "193.08915" + ], + "CH$SMILES": [ + "NC1=CC2=CC3=CC=CC=C3C=C2C=C1" + ], + "CH$IUPAC": [ + "InChI=1S/C14H11N/c15-14-6-5-12-7-10-3-1-2-4-11(10)8-13(12)9-14/h1-9H,15H2" + ], + "CH$LINK": [ + "CAS 613-13-8", + "CHEBI CHEBI:34260", + "KEGG C14417", + "PUBCHEM CID:11937", + "INCHIKEY YCSBALJAGZKWFF-UHFFFAOYSA-N", + "CHEMSPIDER 11443", + "COMPTOX DTXSID2024458", + "ChemOnt CHEMONTID:0000018; Organic compounds; Benzenoids; Anthracenes" + ], + "AC$INSTRUMENT": [ + "Q Exactive Plus Orbitrap Thermo Scientific" + ], + "AC$INSTRUMENT_TYPE": [ + "LC-ESI-QFT" + ], + "AC$MASS_SPECTROMETRY": [ + "MS_TYPE MS2", + "ION_MODE POSITIVE", + "IONIZATION ESI", + "FRAGMENTATION_MODE HCD", + "COLLISION_ENERGY 35 (nominal)", + "RESOLUTION 35000" + ], + "AC$CHROMATOGRAPHY": [ + "COLUMN_NAME Kinetex C18 EVO 2.6 um, 2.1x50 mm, precolumn 2.1x5 mm, Phenomenex", + "FLOW_GRADIENT 95/5 at 0 min, 95/5 at 1 min, 0/100 at 13 min, 0/100 at 24 min", + "FLOW_RATE 300 uL/min", + "RETENTION_TIME 9.134 min", + "SOLVENT A water with 0.1% formic acid", + "SOLVENT B methanol with 0.1% formic acid" + ], + "MS$FOCUSED_ION": [ + "BASE_PEAK 194.0962", + "PRECURSOR_M/Z 194.0964", + "PRECURSOR_TYPE [M+H]+" + ], + "MS$DATA_PROCESSING": [ + "RECALIBRATE loess on assigned fragments and MS1", + "REANALYZE Peaks with additional N2/O included", + "WHOLE RMassBank 2.3.1" + ], + "PK$SPLASH": [ + "splash10-0006-0900000000-4280672bafad5f57da4b" + ], + "PK$ANNOTATION": [ + "m/z tentative_formula formula_count mass error(ppm)" + ], + "PK$NUM_PEAK": [ + "11" + ], + "PK$PEAK": [ + "m/z int. rel.int." + ] + }, + "limitations": [ + "Source Q Exactive Plus differs from target Exploris120. Fixed MS2 spectrum transfer requires explicit host acceptance.", + "35000 source resolving power is not a selectable Exploris120 resolving-power setting; resampling does not create original resolution.", + "Polarity/adduct and reported nominal NCE are retained, but record35 versus paper stepped20/35/50 remains unresolved; even nominally matching NCE requires explicit source-condition transfer acceptance.", + "Source intensity is not concentration calibration, detector count, current or FT transient.", + "Precursor formula and mass reference are not a certified calibrant assignment; current mass-scale and response require explicit model observations.", + "All MS1 isotope probabilities are theoretical natural-isotope references; no actual ESI response or solvent-specific adduct equilibrium is claimed.", + "A single-peak MS2 record is a valid reference but does not establish a rich structural fragmentation pattern or unique molecular structure." + ] + }, + "sm800901": { + "substance_id": 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No renormalization of retained probabilities. Positive neutral molecule adds fixed CODATA proton; negative molecule loses one natural H atom and gains CODATA electron. Electron/proton binding-energy conventions are molecular mass approximations, not measured MS1 or isotope response.", + "physical_scope": "Derived isotope-composition probabilities, not response/ionization efficiency; instrument-resolved profile is synthetic." + }, + "ms2": { + "mass_to_charge_relative": [ + 65.0386, + 92.0495, + 120.0444, + 138.055 + ], + "mass_to_charge_si_kg_c": [ + 6.740775891746049e-07, + 9.540258407273184e-07, + 1.2441725336325186e-06, + 1.4308392488998853e-06 + ], + "raw_intensity": [ + 209370.0, + 2220422.8, + 36310664.0, + 592653.2 + ], + "raw_intensity_unit": "unspecified instrument intensity, not counts/A/C", + "published_relative_intensity": [ + 5, + 61, + 999, + 16 + ], + "relative_intensity": [ + 0.005766074671617131, + 0.061150707681908535, + 1.0, + 0.016321739530844162 + ], + "normalization": "all original raw-intensity values divided by their original maximum; full spectrum retained, no mass-domain renormalization", + "relative_intensity_unit": "1", + "evidence": "measured_literature", + "source": "massbank_sm800901", + "annotations_raw": [ + { + "line": 48, + "raw": " 65.0386 C5H5+ 1 65.0386 0.98" + }, + { + "line": 49, + "raw": " 92.0495 C6H6N+ 1 92.0495 -0.08" + }, + { + "line": 50, + "raw": " 120.0444 C7H6NO+ 1 120.0444 -0.13" + }, + { + "line": 51, + "raw": " 138.055 C7H8NO2+ 1 138.055 0.01" + } + ], + "source_peak_count": 4, + "original_acquisition_type": "processed centroid peak table, loess recalibrated by RMassBank; not unprocessed detector electronics" + }, + "range_40_3000": { + "original_indices": [ + 0, + 1, + 2, + 3 + ], + "retained_raw_intensity_fraction": 1.0, + "meaning": "Fraction of sums of reported intensities, not analyte yield/ion count/charge/mass" + }, + "source": "massbank_sm800901", + "evidence": "measured_literature", + "source_field_lines": { + "ACCESSION": [ + 1 + ], + "RECORD_TITLE": [ + 2 + ], + "DATE": [ + 3 + ], + "AUTHORS": [ + 4 + ], + "LICENSE": [ + 5 + ], + "COPYRIGHT": [ + 6 + ], + "PUBLICATION": [ + 7 + ], + "COMMENT": [ + 8, + 9 + ], + "CH$NAME": [ + 10, + 11, + 12 + ], + "CH$COMPOUND_CLASS": [ + 13 + ], + "CH$FORMULA": [ + 14 + ], + "CH$EXACT_MASS": [ + 15 + ], + "CH$SMILES": [ + 16 + ], + "CH$IUPAC": [ + 17 + ], + "CH$LINK": [ + 18, + 19, + 20, + 21, + 22, + 23, + 24, + 25 + ], + "AC$INSTRUMENT": [ + 26 + ], + "AC$INSTRUMENT_TYPE": [ + 27 + ], + "AC$MASS_SPECTROMETRY": [ + 28, + 29, + 30, + 31, + 32, + 33 + ], + "AC$CHROMATOGRAPHY": [ + 34, + 35, + 36, + 37, + 38, + 39 + ], + "MS$FOCUSED_ION": [ + 40, + 41, + 42 + ], + "MS$DATA_PROCESSING": [ + 43, + 44, + 45 + ], + "PK$SPLASH": [ + 46 + ], + "PK$ANNOTATION": [ + 47 + ], + "PK$NUM_PEAK": [ + 52 + ], + "PK$PEAK": [ + 53 + ] + }, + "source_headers": { + "ACCESSION": [ + "MSBNK-CASMI_2016-SM800901" + ], + "RECORD_TITLE": [ + "2-Aminobenzoic acid; LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M+H]+" + ], + "DATE": [ + "2016.12.12" + ], + "AUTHORS": [ + "Krauss M, Schymanski EL, Weidauer C, Schupke H, UFZ and Eawag" + ], + "LICENSE": [ + "CC BY" + ], + "COPYRIGHT": [ + "Copyright (C) 2016 UFZ/Eawag" + ], + "PUBLICATION": [ + "Schymanski, E. L.; Ruttkies, C.; Krauss, M.; Brouard, C.; Kind, T.; Dührkop, K.; Allen, F.; Vaniya, A.; Verdegem, D.; Böcker, S.; et al. Critical Assessment of Small Molecule Identification 2016: Automated Methods. Journal of Cheminformatics 2017, 9 (1). DOI:10.1186/s13321-017-0207-1" + ], + "COMMENT": [ + "CONFIDENCE standard compound", + "INTERNAL_ID 8009" + ], + "CH$NAME": [ + "2-Aminobenzoic acid", + "anthranilic acid", + "2-azaniumylbenzoate" + ], + "CH$COMPOUND_CLASS": [ + "N/A; Environmental Standard" + ], + "CH$FORMULA": [ + "C7H7NO2" + ], + "CH$EXACT_MASS": [ + "137.04768" + ], + "CH$SMILES": [ + "NC1=C(C=CC=C1)C(O)=O" + ], + "CH$IUPAC": [ + "InChI=1S/C7H7NO2/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,8H2,(H,9,10)" + ], + "CH$LINK": [ + "CAS 118-92-3", + "CHEBI CHEBI:30754", + "KEGG C00108", + "PUBCHEM CID:227", + "INCHIKEY RWZYAGGXGHYGMB-UHFFFAOYSA-N", + "CHEMSPIDER 222", + "COMPTOX DTXSID8020094", + "ChemOnt CHEMONTID:0000176; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives" + ], + "AC$INSTRUMENT": [ + "Q Exactive Plus Orbitrap Thermo Scientific" + ], + "AC$INSTRUMENT_TYPE": [ + "LC-ESI-QFT" + ], + "AC$MASS_SPECTROMETRY": [ + "MS_TYPE MS2", + "ION_MODE POSITIVE", + "IONIZATION ESI", + "FRAGMENTATION_MODE HCD", + "COLLISION_ENERGY 35 (nominal)", + "RESOLUTION 35000" + ], + "AC$CHROMATOGRAPHY": [ + "COLUMN_NAME Kinetex C18 EVO 2.6 um, 2.1x50 mm, precolumn 2.1x5 mm, Phenomenex", + "FLOW_GRADIENT 95/5 at 0 min, 95/5 at 1 min, 0/100 at 13 min, 0/100 at 24 min", + "FLOW_RATE 300 uL/min", + "RETENTION_TIME 2.449 min", + "SOLVENT A water with 0.1% formic acid", + "SOLVENT B methanol with 0.1% formic acid" + ], + "MS$FOCUSED_ION": [ + "BASE_PEAK 138.0548", + "PRECURSOR_M/Z 138.055", + "PRECURSOR_TYPE [M+H]+" + ], + "MS$DATA_PROCESSING": [ + "RECALIBRATE loess on assigned fragments and MS1", + "REANALYZE Peaks with additional N2/O included", + "WHOLE RMassBank 2.3.1" + ], + "PK$SPLASH": [ + "splash10-00di-0900000000-63c42bae0761c6677919" + ], + "PK$ANNOTATION": [ + "m/z tentative_formula formula_count mass error(ppm)" + ], + "PK$NUM_PEAK": [ + "4" + ], + "PK$PEAK": [ + "m/z int. rel.int." + ] + }, + "limitations": [ + "Source Q Exactive Plus differs from target Exploris120. Fixed MS2 spectrum transfer requires explicit host acceptance.", + "35000 source resolving power is not a selectable Exploris120 resolving-power setting; resampling does not create original resolution.", + "Polarity/adduct and reported nominal NCE are retained, but record35 versus paper stepped20/35/50 remains unresolved; even nominally matching NCE requires explicit source-condition transfer acceptance.", + "Source intensity is not concentration calibration, detector count, current or FT transient.", + "Precursor formula and mass reference are not a certified calibrant assignment; current mass-scale and response require explicit model observations.", + "All MS1 isotope probabilities are theoretical natural-isotope references; no actual ESI response or solvent-specific adduct equilibrium is claimed.", + "A single-peak MS2 record is a valid reference but does not establish a rich structural fragmentation pattern or unique molecular structure." + ] + }, + "sm801001": { + "substance_id": "sm801001", + "accession": "MSBNK-CASMI_2016-SM801001", + "name_en": "2-Aminobiphenyl", + "names": [ + "2-Aminobiphenyl", + "2-phenylaniline" + ], + "formula": "C12H11N", + "element_counts": { + "C": 12, + "H": 11, + "N": 1 + }, + "inchikey": "TWBPWBPGNQWFSJ-UHFFFAOYSA-N", + "inchi": "InChI=1S/C12H11N/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9H,13H2", + "smiles": "NC1=C(C=CC=C1)C1=CC=CC=C1", + "cas": "90-41-5", + "pubchem_cid": "CID:7015", + "molar_mass_kg_mol": 0.1692228822668823, + "molar_mass_evidence": "derived approximate average from NIST representative isotope composition, not current specimen isotopic mass", + "source_neutral_exact_mass_u": 169.08915, + "neutral_exact_mass_u": 169.08914935896, + "neutral_exact_mass_evidence": "derived from most abundant NIST isotope of each element, source rounded CH$EXACT_MASS retained separately", + "precursor_mz": 170.0964, + "precursor_mz_si_kg_c": 1.762924959013251e-06, + "precursor_mz_evidence": "reported precursor selection/reference setting, not independently available MS1 centroid data", + "derived_precursor_mz": 170.0964258255389, + "precursor_charge": 1, + "precursor_type": "[M+H]+", + "polarity": "positive", + "ionization": "ESI", + "fragmentation_mode": "HCD", + "instrument_type": "LC-ESI-QFT", + "instrument": "Q Exactive Plus Orbitrap Thermo Scientific", + "collision_energy": { + "value": 35.0, + "unit": "NCE", + "fraction": 0.35, + "raw": "35 (nominal)", + "unit_evidence": "RECORD_TITLE explicitly names NCE; 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Electron/proton binding-energy conventions are molecular mass approximations, not measured MS1 or isotope response.", + "physical_scope": "Derived isotope-composition probabilities, not response/ionization efficiency; instrument-resolved profile is synthetic." + }, + "ms2": { + "mass_to_charge_relative": [ + 65.0386, + 92.0494, + 93.0572, + 103.0542, + 110.06, + 115.0541, + 128.062, + 129.0699, + 143.0855, + 152.062, + 153.0698, + 154.0649, + 154.0777, + 155.0729, + 168.0809, + 169.0654, + 169.0885, + 170.0963, + 181.0758 + ], + "mass_to_charge_si_kg_c": [ + 6.740775891746049e-07, + 9.54024804300352e-07, + 9.644699152709166e-07, + 1.068081519133523e-06, + 1.1406915195677183e-06, + 1.1924517187124862e-06, + 1.3272691021159473e-06, + 1.3377152495134784e-06, + 1.4829767074605375e-06, + 1.5760115741278066e-06, + 1.586456685098371e-06, + 1.5967701698441628e-06, + 1.5969028324959024e-06, + 1.607217353668661e-06, + 1.7420357734990888e-06, + 1.7522393969864087e-06, + 1.7524788116157202e-06, + 1.7629239225862847e-06, + 1.8767184213968766e-06 + ], + "raw_intensity": [ + 266264.4, + 1589439.4, + 1397696.5, + 231978.3, + 845954.6, + 264421.1, + 2117535.8, + 580633.0, + 4070595.2, + 4076881.2, + 16045874.0, + 342999.7, + 260425.0, + 1654458.4, + 577549.1, + 262983.4, + 3153371.0, + 214456896.0, + 374698.9 + ], + "raw_intensity_unit": "unspecified instrument intensity, not counts/A/C", + "published_relative_intensity": [ + 1, + 7, + 6, + 1, + 3, + 1, + 9, + 2, + 18, + 18, + 74, + 1, + 1, + 7, + 2, + 1, + 14, + 999, + 1 + ], + "relative_intensity": [ + 0.0012415753699988273, + 0.007411463234085044, + 0.006517377272866992, + 0.001081701285091807, + 0.003944636967980736, + 0.0012329801695908158, + 0.009873945951357982, + 0.0027074578194025527, + 0.018980948040952714, + 0.0190102592923848, + 0.0748209747472984, + 0.0015993875990819152, + 0.0012143465883232777, + 0.007714643039503845, + 0.0026930777735400964, + 0.0012262762583302523, + 0.014703985084256745, + 1.0, + 0.001747199120143938 + ], + "normalization": "all original raw-intensity values divided by their original maximum; 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LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M+H]+" + ], + "DATE": [ + "2016.12.12" + ], + "AUTHORS": [ + "Krauss M, Schymanski EL, Weidauer C, Schupke H, UFZ and Eawag" + ], + "LICENSE": [ + "CC BY" + ], + "COPYRIGHT": [ + "Copyright (C) 2016 UFZ/Eawag" + ], + "PUBLICATION": [ + "Schymanski, E. L.; Ruttkies, C.; Krauss, M.; Brouard, C.; Kind, T.; Dührkop, K.; Allen, F.; Vaniya, A.; Verdegem, D.; Böcker, S.; et al. Critical Assessment of Small Molecule Identification 2016: Automated Methods. Journal of Cheminformatics 2017, 9 (1). DOI:10.1186/s13321-017-0207-1" + ], + "COMMENT": [ + "CONFIDENCE standard compound", + "INTERNAL_ID 8010" + ], + "CH$NAME": [ + "2-Aminobiphenyl", + "2-phenylaniline" + ], + "CH$COMPOUND_CLASS": [ + "N/A; Environmental Standard" + ], + "CH$FORMULA": [ + "C12H11N" + ], + "CH$EXACT_MASS": [ + "169.08915" + ], + "CH$SMILES": [ + "NC1=C(C=CC=C1)C1=CC=CC=C1" + ], + "CH$IUPAC": [ + "InChI=1S/C12H11N/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9H,13H2" + ], + "CH$LINK": [ + "CAS 90-41-5", + "PUBCHEM CID:7015", + "INCHIKEY TWBPWBPGNQWFSJ-UHFFFAOYSA-N", + "CHEMSPIDER 6748", + "COMPTOX DTXSID3030189", + "ChemOnt CHEMONTID:0000041; Organic compounds; Benzenoids; Benzene and substituted derivatives; Biphenyls and derivatives" + ], + "AC$INSTRUMENT": [ + "Q Exactive Plus Orbitrap Thermo Scientific" + ], + "AC$INSTRUMENT_TYPE": [ + "LC-ESI-QFT" + ], + "AC$MASS_SPECTROMETRY": [ + "MS_TYPE MS2", + "ION_MODE POSITIVE", + "IONIZATION ESI", + "FRAGMENTATION_MODE HCD", + "COLLISION_ENERGY 35 (nominal)", + "RESOLUTION 35000" + ], + "AC$CHROMATOGRAPHY": [ + "COLUMN_NAME Kinetex C18 EVO 2.6 um, 2.1x50 mm, precolumn 2.1x5 mm, Phenomenex", + "FLOW_GRADIENT 95/5 at 0 min, 95/5 at 1 min, 0/100 at 13 min, 0/100 at 24 min", + "FLOW_RATE 300 uL/min", + "RETENTION_TIME 8.437 min", + "SOLVENT A water with 0.1% formic acid", + "SOLVENT B methanol with 0.1% formic acid" + ], + "MS$FOCUSED_ION": [ + "BASE_PEAK 170.0962", + "PRECURSOR_M/Z 170.0964", + "PRECURSOR_TYPE [M+H]+" + ], + "MS$DATA_PROCESSING": [ + "RECALIBRATE loess on assigned fragments and MS1", + "REANALYZE Peaks with additional N2/O included", + "WHOLE RMassBank 2.3.1" + ], + "PK$SPLASH": [ + "splash10-00di-0900000000-1794cd5ca2b5c929aac5" + ], + "PK$ANNOTATION": [ + "m/z tentative_formula formula_count mass error(ppm)" + ], + "PK$NUM_PEAK": [ + "19" + ], + "PK$PEAK": [ + "m/z int. rel.int." + ] + }, + "limitations": [ + "Source Q Exactive Plus differs from target Exploris120. Fixed MS2 spectrum transfer requires explicit host acceptance.", + "35000 source resolving power is not a selectable Exploris120 resolving-power setting; resampling does not create original resolution.", + "Polarity/adduct and reported nominal NCE are retained, but record35 versus paper stepped20/35/50 remains unresolved; even nominally matching NCE requires explicit source-condition transfer acceptance.", + "Source intensity is not concentration calibration, detector count, current or FT transient.", + "Precursor formula and mass reference are not a certified calibrant assignment; current mass-scale and response require explicit model observations.", + "All MS1 isotope probabilities are theoretical natural-isotope references; no actual ESI response or solvent-specific adduct equilibrium is claimed.", + "A single-peak MS2 record is a valid reference but does not establish a rich structural fragmentation pattern or unique molecular structure." + ] + }, + "sm801101": { + "substance_id": "sm801101", + "accession": "MSBNK-CASMI_2016-SM801101", + "name_en": "2-Aminophenol", + "names": [ + "2-Aminophenol" + ], + "formula": "C6H7NO", + "element_counts": { + "C": 6, + "H": 7, + "N": 1, + "O": 1 + }, + "inchikey": "CDAWCLOXVUBKRW-UHFFFAOYSA-N", + "inchi": "InChI=1S/C6H7NO/c7-5-3-1-2-4-6(5)8/h1-4,8H,7H2", + "smiles": "NC1=C(O)C=CC=C1", + "cas": "95-55-6", + "pubchem_cid": "CID:5801", + "molar_mass_kg_mol": 0.10912610879456601, + "molar_mass_evidence": "derived approximate average from NIST representative isotope composition, not current specimen isotopic mass", + "source_neutral_exact_mass_u": 109.05276, + "neutral_exact_mass_u": 109.05276384961, + "neutral_exact_mass_evidence": "derived from most abundant NIST isotope of each element, source rounded CH$EXACT_MASS retained separately", + "precursor_mz": 110.06, + "precursor_mz_si_kg_c": 1.1406915195677183e-06, + "precursor_mz_evidence": "reported precursor selection/reference setting, not independently available MS1 centroid 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1.1822970348461422e-06, + 1.1823183811995914e-06, + 1.1823231200960685e-06, + 1.1823273183196898e-06, + 1.182348664673139e-06, + 1.192596091668323e-06, + 1.1926216362453934e-06, + 1.1926263751418705e-06, + 1.1926615932307633e-06, + 1.1926871378078338e-06, + 1.1926918767043106e-06, + 1.2029951317501127e-06, + 1.203060633312553e-06 + ], + "probability": [ + 0.9310609055304055, + 0.0034014429484630817, + 0.060420610669212615, + 0.00035466498000296135, + 0.0007495902318286368, + 0.00022073449640284024, + 1.295696863794993e-06, + 2.7384764983100863e-06, + 0.001913324234226502, + 0.0016337322706979046, + 2.301576035195605e-05, + 4.864418567006821e-05, + 2.855381457891496e-07, + 2.5863837339382e-07, + 6.989943607315095e-06, + 5.968510844815501e-06, + 8.408343137131158e-08, + 1.777117064505282e-07, + 1.0431559382878725e-09, + 0.0001241639703197629, + 9.448830534681287e-10, + 2.3560005790582672e-05, + 1.5404031549151495e-06, + 6.223305260434895e-07, + 1.3153057380716916e-06, + 1.8529818012396045e-08, + 1.67841742362107e-08, + 4.5360798502944413e-07, + 8.607172214633359e-08, + 5.62755177234247e-09, + 2.273558869081759e-09, + 4.805203828516758e-09, + 3.3573094168135615e-06, + 1.911139659046053e-07, + 9.996349190897866e-08, + 8.974610503946006e-09, + 1.896798597980673e-08, + 5.315002109699882e-10, + 5.010336923396281e-10, + 2.377218749671483e-10, + 1.2265251793730544e-08, + 6.981962703167161e-10, + 3.651964255376393e-10, + 4.84156619291824e-08, + 8.268146912682812e-10, + 2.7029449192006257e-09, + 1.7687684112391498e-10, + 3.9273798340411295e-10 + ], + "relative_intensity": [ + 1.0, + 0.0036532980047372433, + 0.06489436975639341, + 0.00038092564932786676, + 0.0008050925856473494, + 0.00023707847154971296, + 1.3916349146427345e-06, + 2.94124313677421e-06, + 0.002054993634531913, + 0.0017546996775331279, + 2.471992993717684e-05, + 5.2245975941129925e-05, + 3.0668041595676777e-07, + 2.777888877704292e-07, + 7.507504144783174e-06, + 6.41044083084486e-06, + 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+ "codata2022_me", + "codata2022_mp" + ], + "unit": "1", + "method": "Independent natural elemental abundances normalized per element; atomic masses each rounded once to 1e-9 u and exactly summed as integer nano-u during atom convolution; prune probability<1e-10 and cap4096 states after each atom. No renormalization of retained probabilities. Positive neutral molecule adds fixed CODATA proton; negative molecule loses one natural H atom and gains CODATA electron. Electron/proton binding-energy conventions are molecular mass approximations, not measured MS1 or isotope response.", + "physical_scope": "Derived isotope-composition probabilities, not response/ionization efficiency; instrument-resolved profile is synthetic." + }, + "ms2": { + "mass_to_charge_relative": [ + 65.0387, + 67.0543, + 82.0651, + 92.0494, + 93.0335, + 110.06 + ], + "mass_to_charge_si_kg_c": [ + 6.740786256015716e-07, + 6.949688475427008e-07, + 8.505448266625184e-07, + 9.54024804300352e-07, + 9.64224282079805e-07, + 1.1406915195677183e-06 + ], + "raw_intensity": [ + 10645616.0, + 387622.6, + 1645655.1, + 71221264.0, + 8544763.0, + 246573232.0 + ], + "raw_intensity_unit": "unspecified instrument intensity, not counts/A/C", + "published_relative_intensity": [ + 43, + 1, + 6, + 288, + 34, + 999 + ], + "relative_intensity": [ + 0.04317425664437087, + 0.0015720384441406032, + 0.006674102807720832, + 0.28884426513904804, + 0.034654057663485546, + 1.0 + ], + "normalization": "all original raw-intensity values divided by their original maximum; full spectrum retained, no mass-domain renormalization", + "relative_intensity_unit": "1", + "evidence": "measured_literature", + "source": "massbank_sm801101", + "annotations_raw": [ + { + "line": 46, + "raw": " 65.0387 C5H5+ 1 65.0386 1.21" + }, + { + "line": 47, + "raw": " 67.0543 C5H7+ 1 67.0542 0.5" + }, + { + "line": 48, + "raw": " 82.0651 C5H8N+ 1 82.0651 -0.04" + }, + { + "line": 49, + "raw": " 92.0494 C6H6N+ 1 92.0495 -0.32" + }, + { + "line": 50, + "raw": " 93.0335 C6H5O+ 1 93.0335 -0.44" + }, + { + "line": 51, + "raw": " 110.06 C6H8NO+ 1 110.06 -0.38" + } + ], + "source_peak_count": 6, + "original_acquisition_type": "processed centroid peak table, loess recalibrated by RMassBank; not unprocessed detector electronics" + }, + "range_40_3000": { + "original_indices": [ + 0, + 1, + 2, + 3, + 4, + 5 + ], + "retained_raw_intensity_fraction": 1.0, + "meaning": "Fraction of sums of reported intensities, not analyte yield/ion count/charge/mass" + }, + "source": "massbank_sm801101", + "evidence": "measured_literature", + "source_field_lines": { + "ACCESSION": [ + 1 + ], + "RECORD_TITLE": [ + 2 + ], + "DATE": [ + 3 + ], + "AUTHORS": [ + 4 + ], + "LICENSE": [ + 5 + ], + "COPYRIGHT": [ + 6 + ], + "PUBLICATION": [ + 7 + ], + "COMMENT": [ + 8, + 9 + ], + "CH$NAME": [ + 10 + ], + "CH$COMPOUND_CLASS": [ + 11 + ], + "CH$FORMULA": [ + 12 + ], + "CH$EXACT_MASS": [ + 13 + ], + "CH$SMILES": [ + 14 + ], + "CH$IUPAC": [ + 15 + ], + "CH$LINK": [ + 16, + 17, + 18, + 19, + 20, + 21, + 22, + 23 + ], + "AC$INSTRUMENT": [ + 24 + ], + "AC$INSTRUMENT_TYPE": [ + 25 + ], + "AC$MASS_SPECTROMETRY": [ + 26, + 27, + 28, + 29, + 30, + 31 + ], + "AC$CHROMATOGRAPHY": [ + 32, + 33, + 34, + 35, + 36, + 37 + ], + "MS$FOCUSED_ION": [ + 38, + 39, + 40 + ], + "MS$DATA_PROCESSING": [ + 41, + 42, + 43 + ], + "PK$SPLASH": [ + 44 + ], + "PK$ANNOTATION": [ + 45 + ], + "PK$NUM_PEAK": [ + 52 + ], + "PK$PEAK": [ + 53 + ] + }, + "source_headers": { + "ACCESSION": [ + "MSBNK-CASMI_2016-SM801101" + ], + "RECORD_TITLE": [ + "2-Aminophenol; LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M+H]+" + ], + "DATE": [ + "2016.12.12" + ], + "AUTHORS": [ + "Krauss M, Schymanski EL, Weidauer C, Schupke H, UFZ and Eawag" + ], + "LICENSE": [ + "CC BY" + ], + "COPYRIGHT": [ + "Copyright (C) 2016 UFZ/Eawag" + ], + "PUBLICATION": [ + "Schymanski, E. L.; Ruttkies, C.; Krauss, M.; Brouard, C.; Kind, T.; Dührkop, K.; Allen, F.; Vaniya, A.; Verdegem, D.; Böcker, S.; et al. Critical Assessment of Small Molecule Identification 2016: Automated Methods. Journal of Cheminformatics 2017, 9 (1). DOI:10.1186/s13321-017-0207-1" + ], + "COMMENT": [ + "CONFIDENCE standard compound", + "INTERNAL_ID 8011" + ], + "CH$NAME": [ + "2-Aminophenol" + ], + "CH$COMPOUND_CLASS": [ + "N/A; Environmental Standard" + ], + "CH$FORMULA": [ + "C6H7NO" + ], + "CH$EXACT_MASS": [ + "109.05276" + ], + "CH$SMILES": [ + "NC1=C(O)C=CC=C1" + ], + "CH$IUPAC": [ + "InChI=1S/C6H7NO/c7-5-3-1-2-4-6(5)8/h1-4,8H,7H2" + ], + "CH$LINK": [ + "CAS 95-55-6", + "CHEBI CHEBI:18112", + "KEGG C01987", + "PUBCHEM CID:5801", + "INCHIKEY CDAWCLOXVUBKRW-UHFFFAOYSA-N", + "CHEMSPIDER 5596", + "COMPTOX DTXSID8024498", + "ChemOnt CHEMONTID:0000284; Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines" + ], + "AC$INSTRUMENT": [ + "Q Exactive Plus Orbitrap Thermo Scientific" + ], + "AC$INSTRUMENT_TYPE": [ + "LC-ESI-QFT" + ], + "AC$MASS_SPECTROMETRY": [ + "MS_TYPE MS2", + "ION_MODE POSITIVE", + "IONIZATION ESI", + "FRAGMENTATION_MODE HCD", + "COLLISION_ENERGY 35 (nominal)", + "RESOLUTION 35000" + ], + "AC$CHROMATOGRAPHY": [ + "COLUMN_NAME Kinetex C18 EVO 2.6 um, 2.1x50 mm, precolumn 2.1x5 mm, Phenomenex", + "FLOW_GRADIENT 95/5 at 0 min, 95/5 at 1 min, 0/100 at 13 min, 0/100 at 24 min", + "FLOW_RATE 300 uL/min", + "RETENTION_TIME 0.450 min", + "SOLVENT A water with 0.1% formic acid", + "SOLVENT B methanol with 0.1% formic acid" + ], + "MS$FOCUSED_ION": [ + "BASE_PEAK 95.0603", + "PRECURSOR_M/Z 110.06", + "PRECURSOR_TYPE [M+H]+" + ], + "MS$DATA_PROCESSING": [ + "RECALIBRATE loess on assigned fragments and MS1", + "REANALYZE Peaks with additional N2/O included", + "WHOLE RMassBank 2.3.1" + ], + "PK$SPLASH": [ + "splash10-03di-3900000000-b3cb0ba9cdf9ed8d746d" + ], + "PK$ANNOTATION": [ + "m/z tentative_formula formula_count mass error(ppm)" + ], + "PK$NUM_PEAK": [ + "6" + ], + "PK$PEAK": [ + "m/z int. rel.int." + ] + }, + "limitations": [ + "Source Q Exactive Plus differs from target Exploris120. Fixed MS2 spectrum transfer requires explicit host acceptance.", + "35000 source resolving power is not a selectable Exploris120 resolving-power setting; resampling does not create original resolution.", + "Polarity/adduct and reported nominal NCE are retained, but record35 versus paper stepped20/35/50 remains unresolved; even nominally matching NCE requires explicit source-condition transfer acceptance.", + "Source intensity is not concentration calibration, detector count, current or FT transient.", + "Precursor formula and mass reference are not a certified calibrant assignment; current mass-scale and response require explicit model observations.", + "All MS1 isotope probabilities are theoretical natural-isotope references; no actual ESI response or solvent-specific adduct equilibrium is claimed.", + "A single-peak MS2 record is a valid reference but does not establish a rich structural fragmentation pattern or unique molecular structure." + ] + }, + "sm801201": { + "substance_id": "sm801201", + "accession": "MSBNK-CASMI_2016-SM801201", + "name_en": "2-Aminopyridine", + "names": [ + "2-Aminopyridine", + "2-AMINOPYRIDINE", + "pyridin-2-amine" + ], + "formula": "C5H6N2", + "element_counts": { + "C": 5, + "H": 6, + "N": 2 + }, + "inchikey": "ICSNLGPSRYBMBD-UHFFFAOYSA-N", + "inchi": "InChI=1S/C5H6N2/c6-5-3-1-2-4-7-5/h1-4H,(H2,6,7)", + "smiles": "NC1=NC=CC=C1", + "cas": "504-29-0", + "pubchem_cid": "CID:10439", + "molar_mass_kg_mol": 0.0941147304309025, + "molar_mass_evidence": "derived approximate average from NIST representative isotope composition, not current specimen isotopic mass", + "source_neutral_exact_mass_u": 94.0531, + "neutral_exact_mass_u": 94.05309820224, + "neutral_exact_mass_evidence": "derived from most abundant NIST isotope of each element, source rounded CH$EXACT_MASS retained separately", + "precursor_mz": 95.0604, + "precursor_mz_si_kg_c": 9.852316202681732e-07, + "precursor_mz_evidence": "reported precursor selection/reference setting, not independently available MS1 centroid data", + "derived_precursor_mz": 95.0603746688189, + "precursor_charge": 1, + "precursor_type": "[M+H]+", + "polarity": "positive", + "ionization": "ESI", + "fragmentation_mode": "HCD", + "instrument_type": "LC-ESI-QFT", + "instrument": "Q Exactive Plus Orbitrap Thermo Scientific", + "collision_energy": { + "value": 35.0, + "unit": "NCE", + "fraction": 0.35, + "raw": "35 (nominal)", + "unit_evidence": "RECORD_TITLE explicitly names NCE; no conversion to eV or V", + "paper_stepped_nce": [ + 20.0, + 35.0, + 50.0 + ], + "single_energy_verified": false, + "conflict": "Record labels35 NCE but cited paper Methods reports stepped20/35/50; cannot infer this is a pure35 spectrum." + }, + "source_resolution_200": 35000.0, + "source_resolution_evidence": "35000 nominal MS/MS resolving power at m/z200 documented in CASMI publication methods", + "conditions": { + "chromatography_raw": [ + "COLUMN_NAME Kinetex C18 EVO 2.6 um, 2.1x50 mm, precolumn 2.1x5 mm, Phenomenex", + "FLOW_GRADIENT 95/5 at 0 min, 95/5 at 1 min, 0/100 at 13 min, 0/100 at 24 min", + "FLOW_RATE 300 uL/min", + "RETENTION_TIME 0.488 min", + "SOLVENT A water with 0.1% formic acid", + "SOLVENT B methanol with 0.1% formic acid" + ], + "spectrometry_raw": [ + "MS_TYPE MS2", + "ION_MODE POSITIVE", + "IONIZATION ESI", + "FRAGMENTATION_MODE HCD", + "COLLISION_ENERGY 35 (nominal)", + "RESOLUTION 35000" + ], + "data_processing_raw": [ + "RECALIBRATE loess on assigned fragments and MS1", + "REANALYZE Peaks with additional N2/O included", + "WHOLE RMassBank 2.3.1" + ], + "confidence_raw": [ + "CONFIDENCE standard compound", + "INTERNAL_ID 8012" + ], + "sample_concentration_kg_m3": null, + "temperature_k": null, + "electronic_profile_available": false, + "measured_on_exploris120": false + }, + "record_kind": "measured_processed_ms2_reference", + "physical_input_eligible": true, + "mass_reference_eligible": true, + "concentration_calibration_eligible": false, + "ms1_measured": null, + "single_peak_only": false, + "derived_ms1": { + "mass_to_charge_relative": [ + 95.0603746665789, + 96.05740956157891, + 96.0637295015789, + 96.0666514125789, + 97.0544444565789, + 97.0607643965789, + 97.0636863075789, + 97.0670843365789, + 97.0700062475789, + 97.0729281585789, + 98.0577992915789, + 98.0607212025789, + 98.0641192315789, + 98.0670411425789, + 98.0699630535789, + 98.0704391715789, + 98.0733610825789, + 98.0762829935789, + 99.0611541265789, + 99.0640760375789, + 99.0674740665789, + 99.0703959775789, + 99.07379400657891, + 99.0767159175789, + 100.0645089615789, + 100.0708289015789, + 100.0771488415789 + ], + "mass_to_charge_si_kg_c": [ + 9.852313577057653e-07, + 9.955648962251147e-07, + 9.956303977875548e-07, + 9.956606812611024e-07, + 1.005898434744464e-06, + 1.0059639363069042e-06, + 1.0059942197804516e-06, + 1.0060294378693446e-06, + 1.006059721342892e-06, + 1.0060900048164393e-06, + 1.0162974748262536e-06, + 1.016327758299801e-06, + 1.0163629763886938e-06, + 1.0163932598622413e-06, + 1.0164235433357887e-06, + 1.016428477951134e-06, + 1.0164587614246817e-06, + 1.016489044898229e-06, + 1.0266965149080432e-06, + 1.0267267983815907e-06, + 1.0267620164704833e-06, + 1.026792299944031e-06, + 1.0268275180329239e-06, + 1.026857801506471e-06, + 1.0370955549898327e-06, + 1.037161056552273e-06, + 1.0372265581147134e-06 + ], + "probability": [ + 0.9400975760628166, + 0.006868913197777214, + 0.050839199756758005, + 0.0006487419328056162, + 1.2547093440076406e-05, + 0.00037146149406760433, + 4.740095217416281e-06, + 0.0010997259423780666, + 3.5083082386637486e-05, + 1.8653475717869016e-07, + 6.785297675569472e-07, + 8.658490200025723e-09, + 8.03525318209515e-06, + 2.563379097662701e-07, + 1.3629341124301099e-09, + 1.1894336989230076e-05, + 7.58898173530822e-07, + 1.0087546253977487e-08, + 1.4677587208853398e-08, + 4.682393871438151e-10, + 8.690711518085325e-08, + 5.54496236631778e-09, + 6.432295854885365e-08, + 8.20803644676013e-09, + 1.587487952438405e-10, + 4.699818722506469e-10, + 1.391399285298158e-10 + ], + "relative_intensity": [ + 1.0, + 0.007306596009474487, + 0.05407864146366118, + 0.0006900793591262996, + 1.3346586311417123e-05, + 0.0003951307859161883, + 5.0421310916129315e-06, + 0.0011697997850220855, + 3.731855424366423e-05, + 1.984206341217351e-07, + 7.217652558989348e-07, + 9.21020372830657e-09, + 8.547254441126483e-06, + 2.7267159951611427e-07, + 1.4497794134712667e-09, + 1.2652236631695458e-05, + 8.072546859541238e-07, + 1.0730318331661611e-08, + 1.561283379787446e-08, + 4.980753052303666e-10, + 9.244478168407296e-08, + 5.89828386702198e-09, + 6.842157685188589e-08, + 8.731047346314692e-09, + 1.688641682373969e-10, + 4.999288203879414e-10, + 1.48005836918059e-10 + ], + "retained_probability": 0.999999999554167, + "excluded_probability": 4.4583303715484135e-10, + "evidence": "derived", + "source": [ + "nist_isotopes", + "codata2022_u", + "codata2022_e", + "codata2022_me", + "codata2022_mp" + ], + "unit": "1", + "method": "Independent natural elemental abundances normalized per element; atomic masses each rounded once to 1e-9 u and exactly summed as integer nano-u during atom convolution; prune probability<1e-10 and cap4096 states after each atom. No renormalization of retained probabilities. Positive neutral molecule adds fixed CODATA proton; negative molecule loses one natural H atom and gains CODATA electron. Electron/proton binding-energy conventions are molecular mass approximations, not measured MS1 or isotope response.", + "physical_scope": "Derived isotope-composition probabilities, not response/ionization efficiency; instrument-resolved profile is synthetic." + }, + "ms2": { + "mass_to_charge_relative": [ + 67.0543, + 78.0338, + 95.0603 + ], + "mass_to_charge_si_kg_c": [ + 6.949688475427008e-07, + 8.087633463532929e-07, + 9.852305838412064e-07 + ], + "raw_intensity": [ + 367242.8, + 2376234.0, + 129766840.0 + ], + "raw_intensity_unit": "unspecified instrument intensity, not counts/A/C", + "published_relative_intensity": [ + 2, + 18, + 999 + ], + "relative_intensity": [ + 0.0028300203657575388, + 0.018311565574071157, + 1.0 + ], + "normalization": "all original raw-intensity values divided by their original maximum; full spectrum retained, no mass-domain renormalization", + "relative_intensity_unit": "1", + "evidence": "measured_literature", + "source": "massbank_sm801201", + "annotations_raw": [ + { + "line": 46, + "raw": " 67.0543 C5H7+ 1 67.0542 1.52" + }, + { + "line": 47, + "raw": " 78.0338 C5H4N+ 1 78.0338 0.17" + }, + { + "line": 48, + "raw": " 95.0603 C5H7N2+ 1 95.0604 -0.31" + } + ], + "source_peak_count": 3, + "original_acquisition_type": "processed centroid peak table, loess recalibrated by RMassBank; not unprocessed detector electronics" + }, + "range_40_3000": { + "original_indices": [ + 0, + 1, + 2 + ], + "retained_raw_intensity_fraction": 1.0, + "meaning": "Fraction of sums of reported intensities, not analyte yield/ion count/charge/mass" + }, + "source": "massbank_sm801201", + "evidence": "measured_literature", + "source_field_lines": { + "ACCESSION": [ + 1 + ], + "RECORD_TITLE": [ + 2 + ], + "DATE": [ + 3 + ], + "AUTHORS": [ + 4 + ], + "LICENSE": [ + 5 + ], + "COPYRIGHT": [ + 6 + ], + "PUBLICATION": [ + 7 + ], + "COMMENT": [ + 8, + 9 + ], + "CH$NAME": [ + 10, + 11, + 12 + ], + "CH$COMPOUND_CLASS": [ + 13 + ], + "CH$FORMULA": [ + 14 + ], + "CH$EXACT_MASS": [ + 15 + ], + "CH$SMILES": [ + 16 + ], + "CH$IUPAC": [ + 17 + ], + "CH$LINK": [ + 18, + 19, + 20, + 21, + 22, + 23 + ], + "AC$INSTRUMENT": [ + 24 + ], + "AC$INSTRUMENT_TYPE": [ + 25 + ], + "AC$MASS_SPECTROMETRY": [ + 26, + 27, + 28, + 29, + 30, + 31 + ], + "AC$CHROMATOGRAPHY": [ + 32, + 33, + 34, + 35, + 36, + 37 + ], + "MS$FOCUSED_ION": [ + 38, + 39, + 40 + ], + "MS$DATA_PROCESSING": [ + 41, + 42, + 43 + ], + "PK$SPLASH": [ + 44 + ], + "PK$ANNOTATION": [ + 45 + ], + "PK$NUM_PEAK": [ + 49 + ], + "PK$PEAK": [ + 50 + ] + }, + "source_headers": { + "ACCESSION": [ + "MSBNK-CASMI_2016-SM801201" + ], + "RECORD_TITLE": [ + "2-Aminopyridine; LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M+H]+" + ], + "DATE": [ + "2016.12.12" + ], + "AUTHORS": [ + "Krauss M, Schymanski EL, Weidauer C, Schupke H, UFZ and Eawag" + ], + "LICENSE": [ + "CC BY" + ], + "COPYRIGHT": [ + "Copyright (C) 2016 UFZ/Eawag" + ], + "PUBLICATION": [ + "Schymanski, E. L.; Ruttkies, C.; Krauss, M.; Brouard, C.; Kind, T.; Dührkop, K.; Allen, F.; Vaniya, A.; Verdegem, D.; Böcker, S.; et al. Critical Assessment of Small Molecule Identification 2016: Automated Methods. Journal of Cheminformatics 2017, 9 (1). DOI:10.1186/s13321-017-0207-1" + ], + "COMMENT": [ + "CONFIDENCE standard compound", + "INTERNAL_ID 8012" + ], + "CH$NAME": [ + "2-Aminopyridine", + "2-AMINOPYRIDINE", + "pyridin-2-amine" + ], + "CH$COMPOUND_CLASS": [ + "N/A; Environmental Standard" + ], + "CH$FORMULA": [ + "C5H6N2" + ], + "CH$EXACT_MASS": [ + "94.05310" + ], + "CH$SMILES": [ + "NC1=NC=CC=C1" + ], + "CH$IUPAC": [ + "InChI=1S/C5H6N2/c6-5-3-1-2-4-7-5/h1-4H,(H2,6,7)" + ], + "CH$LINK": [ + "CAS 504-29-0", + "PUBCHEM CID:10439", + "INCHIKEY ICSNLGPSRYBMBD-UHFFFAOYSA-N", + "CHEMSPIDER 10008", + "COMPTOX DTXSID0024505", + "ChemOnt CHEMONTID:0000283; Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Aminopyridines and derivatives" + ], + "AC$INSTRUMENT": [ + "Q Exactive Plus Orbitrap Thermo Scientific" + ], + "AC$INSTRUMENT_TYPE": [ + "LC-ESI-QFT" + ], + "AC$MASS_SPECTROMETRY": [ + "MS_TYPE MS2", + "ION_MODE POSITIVE", + "IONIZATION ESI", + "FRAGMENTATION_MODE HCD", + "COLLISION_ENERGY 35 (nominal)", + "RESOLUTION 35000" + ], + "AC$CHROMATOGRAPHY": [ + "COLUMN_NAME Kinetex C18 EVO 2.6 um, 2.1x50 mm, precolumn 2.1x5 mm, Phenomenex", + "FLOW_GRADIENT 95/5 at 0 min, 95/5 at 1 min, 0/100 at 13 min, 0/100 at 24 min", + "FLOW_RATE 300 uL/min", + "RETENTION_TIME 0.488 min", + "SOLVENT A water with 0.1% formic acid", + "SOLVENT B methanol with 0.1% formic acid" + ], + "MS$FOCUSED_ION": [ + "BASE_PEAK 95.0603", + "PRECURSOR_M/Z 95.0604", + "PRECURSOR_TYPE [M+H]+" + ], + "MS$DATA_PROCESSING": [ + "RECALIBRATE loess on assigned fragments and MS1", + "REANALYZE Peaks with additional N2/O included", + "WHOLE RMassBank 2.3.1" + ], + "PK$SPLASH": [ + "splash10-0002-9000000000-d934aa5643a4e1d32193" + ], + "PK$ANNOTATION": [ + "m/z tentative_formula formula_count mass error(ppm)" + ], + "PK$NUM_PEAK": [ + "3" + ], + "PK$PEAK": [ + "m/z int. rel.int." + ] + }, + "limitations": [ + "Source Q Exactive Plus differs from target Exploris120. Fixed MS2 spectrum transfer requires explicit host acceptance.", + "35000 source resolving power is not a selectable Exploris120 resolving-power setting; resampling does not create original resolution.", + "Polarity/adduct and reported nominal NCE are retained, but record35 versus paper stepped20/35/50 remains unresolved; even nominally matching NCE requires explicit source-condition transfer acceptance.", + "Source intensity is not concentration calibration, detector count, current or FT transient.", + "Precursor formula and mass reference are not a certified calibrant assignment; current mass-scale and response require explicit model observations.", + "All MS1 isotope probabilities are theoretical natural-isotope references; no actual ESI response or solvent-specific adduct equilibrium is claimed.", + "A single-peak MS2 record is a valid reference but does not establish a rich structural fragmentation pattern or unique molecular structure." + ] + }, + "sm801601": { + "substance_id": "sm801601", + "accession": "MSBNK-CASMI_2016-SM801601", + "name_en": "2`-Methylacetanilide", + "names": [ + "2`-Methylacetanilide", + "o-Acetotoluidide", + "N-(2-methylphenyl)acetamide" + ], + "formula": "C9H11NO", + "element_counts": { + "C": 9, + "H": 11, + "N": 1, + "O": 1 + }, + "inchikey": "BPEXTIMJLDWDTL-UHFFFAOYSA-N", + "inchi": "InChI=1S/C9H11NO/c1-7-5-3-4-6-9(7)10-8(2)11/h3-6H,1-2H3,(H,10,11)", + "smiles": "CC(=O)NC1=C(C)C=CC=C1", + "cas": "120-66-1", + "pubchem_cid": "CID:8443", + "molar_mass_kg_mol": 0.14919007950099483, + "molar_mass_evidence": "derived approximate average from NIST representative isotope composition, not current specimen isotopic mass", + "source_neutral_exact_mass_u": 149.08406, + "neutral_exact_mass_u": 149.08406397853, + "neutral_exact_mass_evidence": "derived from most abundant NIST isotope of each element, source rounded CH$EXACT_MASS retained separately", + "precursor_mz": 150.0913, + "precursor_mz_si_kg_c": 1.5555867078947325e-06, + "precursor_mz_evidence": "reported precursor selection/reference setting, not independently available MS1 centroid data", + "derived_precursor_mz": 150.0913404451089, + "precursor_charge": 1, + "precursor_type": "[M+H]+", + "polarity": "positive", + "ionization": "ESI", + "fragmentation_mode": "HCD", + "instrument_type": "LC-ESI-QFT", + "instrument": "Q Exactive Plus Orbitrap Thermo Scientific", + "collision_energy": { + "value": 35.0, + "unit": "NCE", + "fraction": 0.35, + "raw": "35 (nominal)", + "unit_evidence": "RECORD_TITLE explicitly names NCE; no conversion to eV or V", + "paper_stepped_nce": [ + 20.0, + 35.0, + 50.0 + ], + "single_energy_verified": false, + "conflict": "Record labels35 NCE but cited paper Methods reports stepped20/35/50; cannot infer this is a pure35 spectrum." + }, + "source_resolution_200": 35000.0, + "source_resolution_evidence": "35000 nominal MS/MS resolving power at m/z200 documented in CASMI publication methods", + "conditions": { + "chromatography_raw": 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L.; Ruttkies, C.; Krauss, M.; Brouard, C.; Kind, T.; Dührkop, K.; Allen, F.; Vaniya, A.; Verdegem, D.; Böcker, S.; et al. Critical Assessment of Small Molecule Identification 2016: Automated Methods. Journal of Cheminformatics 2017, 9 (1). DOI:10.1186/s13321-017-0207-1" + ], + "COMMENT": [ + "CONFIDENCE standard compound", + "INTERNAL_ID 8016" + ], + "CH$NAME": [ + "2`-Methylacetanilide", + "o-Acetotoluidide", + "N-(2-methylphenyl)acetamide" + ], + "CH$COMPOUND_CLASS": [ + "N/A; Environmental Standard" + ], + "CH$FORMULA": [ + "C9H11NO" + ], + "CH$EXACT_MASS": [ + "149.08406" + ], + "CH$SMILES": [ + "CC(=O)NC1=C(C)C=CC=C1" + ], + "CH$IUPAC": [ + "InChI=1S/C9H11NO/c1-7-5-3-4-6-9(7)10-8(2)11/h3-6H,1-2H3,(H,10,11)" + ], + "CH$LINK": [ + "CAS 120-66-1", + "PUBCHEM CID:8443", + "INCHIKEY BPEXTIMJLDWDTL-UHFFFAOYSA-N", + "CHEMSPIDER 10298354", + "COMPTOX DTXSID1024413", + "ChemOnt CHEMONTID:0000285; Organic compounds; Benzenoids; Benzene and substituted derivatives; Anilides" + ], + "AC$INSTRUMENT": [ + "Q Exactive Plus Orbitrap Thermo Scientific" + ], + "AC$INSTRUMENT_TYPE": [ + "LC-ESI-QFT" + ], + "AC$MASS_SPECTROMETRY": [ + "MS_TYPE MS2", + "ION_MODE POSITIVE", + "IONIZATION ESI", + "FRAGMENTATION_MODE HCD", + "COLLISION_ENERGY 35 (nominal)", + "RESOLUTION 35000" + ], + "AC$CHROMATOGRAPHY": [ + "COLUMN_NAME Kinetex C18 EVO 2.6 um, 2.1x50 mm, precolumn 2.1x5 mm, Phenomenex", + "FLOW_GRADIENT 95/5 at 0 min, 95/5 at 1 min, 0/100 at 13 min, 0/100 at 24 min", + "FLOW_RATE 300 uL/min", + "RETENTION_TIME 4.187 min", + "SOLVENT A water with 0.1% formic acid", + "SOLVENT B methanol with 0.1% formic acid" + ], + "MS$FOCUSED_ION": [ + "BASE_PEAK 150.0911", + "PRECURSOR_M/Z 150.0913", + "PRECURSOR_TYPE [M+H]+" + ], + "MS$DATA_PROCESSING": [ + "RECALIBRATE loess on assigned fragments and MS1", + "REANALYZE Peaks with additional N2/O included", + "WHOLE RMassBank 2.3.1" + ], + "PK$SPLASH": [ + "splash10-0pb9-0900000000-a97e87c4e92c798b2d7f" + ], + "PK$ANNOTATION": [ + "m/z tentative_formula formula_count mass error(ppm)" + ], + "PK$NUM_PEAK": [ + "8" + ], + "PK$PEAK": [ + "m/z int. rel.int." + ] + }, + "limitations": [ + "Source Q Exactive Plus differs from target Exploris120. Fixed MS2 spectrum transfer requires explicit host acceptance.", + "35000 source resolving power is not a selectable Exploris120 resolving-power setting; resampling does not create original resolution.", + "Polarity/adduct and reported nominal NCE are retained, but record35 versus paper stepped20/35/50 remains unresolved; even nominally matching NCE requires explicit source-condition transfer acceptance.", + "Source intensity is not concentration calibration, detector count, current or FT transient.", + "Precursor formula and mass reference are not a certified calibrant assignment; current mass-scale and response require explicit model observations.", + "All MS1 isotope probabilities are theoretical natural-isotope references; no actual ESI response or solvent-specific adduct equilibrium is claimed.", + "A single-peak MS2 record is a valid reference but does not establish a rich structural fragmentation pattern or unique molecular structure." + ] + }, + "sm801701": { + "substance_id": "sm801701", + "accession": "MSBNK-CASMI_2016-SM801701", + "name_en": "2-Methylimidazole", + "names": [ + "2-Methylimidazole", + "2-METHYLIMIDAZOLE", + "2-methyl-1H-imidazole" + ], + "formula": "C4H6N2", + "element_counts": { + "C": 4, + "H": 6, + "N": 2 + }, + "inchikey": "LXBGSDVWAMZHDD-UHFFFAOYSA-N", + "inchi": "InChI=1S/C4H6N2/c1-4-5-2-3-6-4/h2-3H,1H3,(H,5,6)", + "smiles": "CC1=NC=CN1", + "cas": "616-47-7", + "pubchem_cid": "CID:12749", + "molar_mass_kg_mol": 0.08210399453416725, + "molar_mass_evidence": "derived approximate average from NIST representative isotope composition, not current specimen isotopic mass", + "source_neutral_exact_mass_u": 82.0531, + "neutral_exact_mass_u": 82.05309820224, + "neutral_exact_mass_evidence": "derived from most abundant NIST isotope of each element, source rounded CH$EXACT_MASS retained separately", + "precursor_mz": 83.0604, + "precursor_mz_si_kg_c": 8.608603842622435e-07, + "precursor_mz_evidence": "reported precursor selection/reference setting, not independently available MS1 centroid data", + "derived_precursor_mz": 83.0603746688189, + "precursor_charge": 1, + "precursor_type": "[M+H]+", + "polarity": "positive", + "ionization": "ESI", + "fragmentation_mode": "HCD", + "instrument_type": "LC-ESI-QFT", + "instrument": "Q Exactive Plus Orbitrap Thermo Scientific", + "collision_energy": { + "value": 35.0, + "unit": "NCE", + "fraction": 0.35, + "raw": "35 (nominal)", + "unit_evidence": "RECORD_TITLE explicitly names NCE; no conversion to eV or V", + "paper_stepped_nce": [ + 20.0, + 35.0, + 50.0 + ], + "single_energy_verified": false, + "conflict": "Record labels35 NCE but cited paper Methods reports stepped20/35/50; cannot infer this is a pure35 spectrum." + }, + "source_resolution_200": 35000.0, + "source_resolution_evidence": "35000 nominal MS/MS resolving power at m/z200 documented in CASMI publication methods", + "conditions": { + "chromatography_raw": [ + "COLUMN_NAME Kinetex C18 EVO 2.6 um, 2.1x50 mm, precolumn 2.1x5 mm, Phenomenex", + "FLOW_GRADIENT 95/5 at 0 min, 95/5 at 1 min, 0/100 at 13 min, 0/100 at 24 min", + "FLOW_RATE 300 uL/min", + "RETENTION_TIME 0.469 min", + "SOLVENT A water with 0.1% formic acid", + "SOLVENT B methanol with 0.1% formic acid" + ], + "spectrometry_raw": [ + "MS_TYPE MS2", + "ION_MODE POSITIVE", + "IONIZATION ESI", + "FRAGMENTATION_MODE HCD", + "COLLISION_ENERGY 35 (nominal)", + "RESOLUTION 35000" + ], + "data_processing_raw": [ + "RECALIBRATE loess on assigned fragments and MS1", + "REANALYZE Peaks with additional N2/O included", + "WHOLE RMassBank 2.3.1" + ], + "confidence_raw": [ + "CONFIDENCE standard compound", + "INTERNAL_ID 8017" + ], + "sample_concentration_kg_m3": null, + "temperature_k": null, + "electronic_profile_available": false, + "measured_on_exploris120": false + }, + "record_kind": "measured_processed_ms2_reference", + "physical_input_eligible": true, + "mass_reference_eligible": true, + "concentration_calibration_eligible": false, + "ms1_measured": null, + "single_peak_only": true, + "derived_ms1": { + "mass_to_charge_relative": [ + 83.0603746665789, + 84.05740956157891, + 84.0637295015789, + 84.0666514125789, + 85.0544444565789, + 85.0607643965789, + 85.0636863075789, + 85.0670843365789, + 85.0700062475789, + 85.0729281585789, + 86.0577992915789, + 86.0607212025789, + 86.0641192315789, + 86.0670411425789, + 86.0699630535789, + 86.0704391715789, + 86.0733610825789, + 86.0762829935789, + 87.0611541265789, + 87.0640760375789, + 87.0674740665789, + 87.0703959775789, + 87.07379400657891, + 87.0767159175789 + ], + "mass_to_charge_si_kg_c": [ + 8.608601216998355e-07, + 8.71193660219185e-07, + 8.712591617816253e-07, + 8.712894452551728e-07, + 8.815271987385343e-07, + 8.815927003009745e-07, + 8.81622983774522e-07, + 8.816582018634148e-07, + 8.816884853369622e-07, + 8.817187688105097e-07, + 8.919262388203239e-07, + 8.919565222938713e-07, + 8.919917403827641e-07, + 8.920220238563116e-07, + 8.920523073298591e-07, + 8.920572419452045e-07, + 8.920875254187519e-07, + 8.921178088922994e-07, + 9.023252789021135e-07, + 9.02355562375661e-07, + 9.023907804645538e-07, + 9.024210639381013e-07, + 9.024562820269942e-07, + 9.024865655005414e-07 + ], + "probability": [ + 0.9502654160141681, + 0.006943205496590735, + 0.041111250182357645, + 0.0006557585492829437, + 1.2682799393587797e-05, + 0.0003003832965269216, + 4.791362799369535e-06, + 0.0006669721676203781, + 2.837002517872232e-05, + 1.885522664294857e-07, + 5.486948489290993e-07, + 8.752138077454488e-09, + 4.873296178365603e-06, + 2.0728831275954325e-07, + 1.3776752374710504e-09, + 4.809193162531113e-06, + 4.602637259865493e-07, + 8.157320330720702e-09, + 8.901801602458347e-09, + 3.786429897048945e-10, + 3.5138831570141824e-08, + 3.36296110359918e-09, + 1.3003731638300546e-08, + 3.3187249355140523e-09 + ], + "relative_intensity": [ + 1.0, + 0.0073065960094744874, + 0.043262913170928965, + 0.0006900793591262997, + 1.3346586311417125e-05, + 0.00031610462873295073, + 5.042131091612932e-06, + 0.0007018798710132515, + 2.9854843394931394e-05, + 1.9842063412173515e-07, + 5.774122047191481e-07, + 9.210203728306574e-09, + 5.128352664675891e-06, + 2.181372796128915e-07, + 1.4497794134712672e-09, + 5.0608946526781835e-06, + 4.843528115724743e-07, + 8.58425466532929e-09, + 9.36770027872468e-09, + 3.984602441842933e-10, + 3.697791267362919e-08, + 3.5389703202131893e-09, + 1.368431537037718e-08, + 3.4924189385258774e-09 + ], + "retained_probability": 0.9999999995742409, + "excluded_probability": 4.257590946465939e-10, + "evidence": "derived", + "source": [ + "nist_isotopes", + "codata2022_u", + "codata2022_e", + "codata2022_me", + "codata2022_mp" + ], + "unit": "1", + "method": "Independent natural elemental abundances normalized per element; atomic masses each rounded once to 1e-9 u and exactly summed as integer nano-u during atom convolution; prune probability<1e-10 and cap4096 states after each atom. No renormalization of retained probabilities. Positive neutral molecule adds fixed CODATA proton; negative molecule loses one natural H atom and gains CODATA electron. Electron/proton binding-energy conventions are molecular mass approximations, not measured MS1 or isotope response.", + "physical_scope": "Derived isotope-composition probabilities, not response/ionization efficiency; instrument-resolved profile is synthetic." + }, + "ms2": { + "mass_to_charge_relative": [ + 83.0603 + ], + "mass_to_charge_si_kg_c": [ + 8.608593478352767e-07 + ], + "raw_intensity": [ + 209759248.0 + ], + "raw_intensity_unit": "unspecified instrument intensity, not counts/A/C", + "published_relative_intensity": [ + 999 + ], + "relative_intensity": [ + 1.0 + ], + "normalization": "all original raw-intensity values divided by their original maximum; full spectrum retained, no mass-domain renormalization", + "relative_intensity_unit": "1", + "evidence": "measured_literature", + "source": "massbank_sm801701", + "annotations_raw": [ + { + "line": 47, + "raw": " 83.0603 C4H7N2+ 1 83.0604 -0.34" + } + ], + "source_peak_count": 1, + "original_acquisition_type": "processed centroid peak table, loess recalibrated by RMassBank; not unprocessed detector electronics" + }, + "range_40_3000": { + "original_indices": [ + 0 + ], + "retained_raw_intensity_fraction": 1.0, + "meaning": "Fraction of sums of reported intensities, not analyte yield/ion count/charge/mass" + }, + "source": "massbank_sm801701", + "evidence": "measured_literature", + "source_field_lines": { + "ACCESSION": [ + 1 + ], + "RECORD_TITLE": [ + 2 + ], + "DATE": [ + 3 + ], + "AUTHORS": [ + 4 + ], + "LICENSE": [ + 5 + ], + "COPYRIGHT": [ + 6 + ], + "PUBLICATION": [ + 7 + ], + "COMMENT": [ + 8, + 9 + ], + "CH$NAME": [ + 10, + 11, + 12 + ], + "CH$COMPOUND_CLASS": [ + 13 + ], + "CH$FORMULA": [ + 14 + ], + "CH$EXACT_MASS": [ + 15 + ], + "CH$SMILES": [ + 16 + ], + "CH$IUPAC": [ + 17 + ], + "CH$LINK": [ + 18, + 19, + 20, + 21, + 22, + 23, + 24 + ], + "AC$INSTRUMENT": [ + 25 + ], + "AC$INSTRUMENT_TYPE": [ + 26 + ], + "AC$MASS_SPECTROMETRY": [ + 27, + 28, + 29, + 30, + 31, + 32 + ], + "AC$CHROMATOGRAPHY": [ + 33, + 34, + 35, + 36, + 37, + 38 + ], + "MS$FOCUSED_ION": [ + 39, + 40, + 41 + ], + "MS$DATA_PROCESSING": [ + 42, + 43, + 44 + ], + "PK$SPLASH": [ + 45 + ], + "PK$ANNOTATION": [ + 46 + ], + "PK$NUM_PEAK": [ + 48 + ], + "PK$PEAK": [ + 49 + ] + }, + "source_headers": { + "ACCESSION": [ + "MSBNK-CASMI_2016-SM801701" + ], + "RECORD_TITLE": [ + "2-Methylimidazole; LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M+H]+" + ], + "DATE": [ + "2016.12.12" + ], + "AUTHORS": [ + "Krauss M, Schymanski EL, Weidauer C, Schupke H, UFZ and Eawag" + ], + "LICENSE": [ + "CC BY" + ], + "COPYRIGHT": [ + "Copyright (C) 2016 UFZ/Eawag" + ], + "PUBLICATION": [ + "Schymanski, E. L.; Ruttkies, C.; Krauss, M.; Brouard, C.; Kind, T.; Dührkop, K.; Allen, F.; Vaniya, A.; Verdegem, D.; Böcker, S.; et al. Critical Assessment of Small Molecule Identification 2016: Automated Methods. Journal of Cheminformatics 2017, 9 (1). DOI:10.1186/s13321-017-0207-1" + ], + "COMMENT": [ + "CONFIDENCE standard compound", + "INTERNAL_ID 8017" + ], + "CH$NAME": [ + "2-Methylimidazole", + "2-METHYLIMIDAZOLE", + "2-methyl-1H-imidazole" + ], + "CH$COMPOUND_CLASS": [ + "N/A; Environmental Standard" + ], + "CH$FORMULA": [ + "C4H6N2" + ], + "CH$EXACT_MASS": [ + "82.05310" + ], + "CH$SMILES": [ + "CC1=NC=CN1" + ], + "CH$IUPAC": [ + "InChI=1S/C4H6N2/c1-4-5-2-3-6-4/h2-3H,1H3,(H,5,6)" + ], + "CH$LINK": [ + "CAS 616-47-7", + "KEGG C19261", + "PUBCHEM CID:12749", + "INCHIKEY LXBGSDVWAMZHDD-UHFFFAOYSA-N", + "CHEMSPIDER 12225", + "COMPTOX DTXSID4022107", + "ChemOnt CHEMONTID:0000078; Organic compounds; Organoheterocyclic compounds; Azoles; Imidazoles" + ], + "AC$INSTRUMENT": [ + "Q Exactive Plus Orbitrap Thermo Scientific" + ], + "AC$INSTRUMENT_TYPE": [ + "LC-ESI-QFT" + ], + "AC$MASS_SPECTROMETRY": [ + "MS_TYPE MS2", + "ION_MODE POSITIVE", + "IONIZATION ESI", + "FRAGMENTATION_MODE HCD", + "COLLISION_ENERGY 35 (nominal)", + "RESOLUTION 35000" + ], + "AC$CHROMATOGRAPHY": [ + "COLUMN_NAME Kinetex C18 EVO 2.6 um, 2.1x50 mm, precolumn 2.1x5 mm, Phenomenex", + "FLOW_GRADIENT 95/5 at 0 min, 95/5 at 1 min, 0/100 at 13 min, 0/100 at 24 min", + "FLOW_RATE 300 uL/min", + "RETENTION_TIME 0.469 min", + "SOLVENT A water with 0.1% formic acid", + "SOLVENT B methanol with 0.1% formic acid" + ], + "MS$FOCUSED_ION": [ + "BASE_PEAK 95.0603", + "PRECURSOR_M/Z 83.0604", + "PRECURSOR_TYPE [M+H]+" + ], + "MS$DATA_PROCESSING": [ + "RECALIBRATE loess on assigned fragments and MS1", + "REANALYZE Peaks with additional N2/O included", + "WHOLE RMassBank 2.3.1" + ], + "PK$SPLASH": [ + "splash10-001i-9000000000-e4f7fea4cd54cb30a9eb" + ], + "PK$ANNOTATION": [ + "m/z tentative_formula formula_count mass error(ppm)" + ], + "PK$NUM_PEAK": [ + "1" + ], + "PK$PEAK": [ + "m/z int. rel.int." + ] + }, + "limitations": [ + "Source Q Exactive Plus differs from target Exploris120. Fixed MS2 spectrum transfer requires explicit host acceptance.", + "35000 source resolving power is not a selectable Exploris120 resolving-power setting; resampling does not create original resolution.", + "Polarity/adduct and reported nominal NCE are retained, but record35 versus paper stepped20/35/50 remains unresolved; even nominally matching NCE requires explicit source-condition transfer acceptance.", + "Source intensity is not concentration calibration, detector count, current or FT transient.", + "Precursor formula and mass reference are not a certified calibrant assignment; current mass-scale and response require explicit model observations.", + "All MS1 isotope probabilities are theoretical natural-isotope references; no actual ESI response or solvent-specific adduct equilibrium is claimed.", + "A single-peak MS2 record is a valid reference but does not establish a rich structural fragmentation pattern or unique molecular structure." + ] + }, + "sm801802": { + "substance_id": "sm801802", + "accession": "MSBNK-CASMI_2016-SM801802", + "name_en": "2-Methylindole", + "names": [ + "2-Methylindole", + "2-METHYLINDOLE", + "2-methyl-1H-indole" + ], + "formula": "C9H9N", + "element_counts": { + "C": 9, + "H": 9, + "N": 1 + }, + "inchikey": "BHNHHSOHWZKFOX-UHFFFAOYSA-N", + "inchi": "InChI=1S/C9H9N/c1-7-6-8-4-2-3-5-9(8)10-7/h2-6,10H,1H3", + "smiles": "CC1=CC2=CC=CC=C2N1", + "cas": "95-20-5", + "pubchem_cid": "CID:7224", + "molar_mass_kg_mol": 0.131174793068565, + "molar_mass_evidence": "derived approximate average from NIST representative isotope composition, not current specimen isotopic mass", + "source_neutral_exact_mass_u": 131.0735, + "neutral_exact_mass_u": 131.0734992945, + "neutral_exact_mass_evidence": "derived from most abundant NIST isotope of each element, source rounded CH$EXACT_MASS retained separately", + "precursor_mz": 132.0808, + "precursor_mz_si_kg_c": 1.368921029054333e-06, + "precursor_mz_evidence": "reported precursor selection/reference setting, not independently available MS1 centroid data", + "derived_precursor_mz": 132.0807757610789, + "precursor_charge": 1, + "precursor_type": "[M+H]+", + "polarity": "positive", + "ionization": "ESI", + "fragmentation_mode": "HCD", + "instrument_type": "LC-ESI-QFT", + "instrument": "Q Exactive Plus Orbitrap Thermo Scientific", + "collision_energy": { + "value": 35.0, + "unit": "NCE", + "fraction": 0.35, + "raw": "35 (nominal)", + "unit_evidence": "RECORD_TITLE explicitly names NCE; no conversion to eV or V", + "paper_stepped_nce": [ + 20.0, + 35.0, + 50.0 + ], + "single_energy_verified": false, + "conflict": "Record labels35 NCE but cited paper Methods reports stepped20/35/50; cannot infer this is a pure35 spectrum." + }, + "source_resolution_200": 35000.0, + "source_resolution_evidence": "35000 nominal MS/MS resolving power at m/z200 documented in CASMI publication methods", + "conditions": { + "chromatography_raw": [ + "COLUMN_NAME Kinetex C18 EVO 2.6 um, 2.1x50 mm, precolumn 2.1x5 mm, Phenomenex", + "FLOW_GRADIENT 95/5 at 0 min, 95/5 at 1 min, 0/100 at 13 min, 0/100 at 24 min", + "FLOW_RATE 300 uL/min", + "RETENTION_TIME 8.889 min", + "SOLVENT A water with 0.1% formic acid", + "SOLVENT B methanol with 0.1% formic acid" + ], + "spectrometry_raw": [ + "MS_TYPE MS2", + "ION_MODE POSITIVE", + "IONIZATION ESI", + "FRAGMENTATION_MODE HCD", + "COLLISION_ENERGY 35 (nominal)", + "RESOLUTION 35000" + ], + "data_processing_raw": [ + "RECALIBRATE loess on assigned fragments and MS1", + "REANALYZE Peaks with additional N2/O included", + "WHOLE RMassBank 2.3.1" + ], + "confidence_raw": [ + "CONFIDENCE standard compound", + "INTERNAL_ID 8018" + ], + "sample_concentration_kg_m3": null, + "temperature_k": null, + "electronic_profile_available": false, + "measured_on_exploris120": false + }, + "record_kind": "measured_processed_ms2_reference", + "physical_input_eligible": true, + "mass_reference_eligible": true, + "concentration_calibration_eligible": false, + "ms1_measured": null, + "single_peak_only": false, + "derived_ms1": { + "mass_to_charge_relative": [ + 132.0807757585789, + 133.0778106535789, + 133.0841305935789, + 133.0870525045789, + 134.0811654885789, + 134.0840873995789, + 134.0874854285789, + 134.0904073395789, + 134.0933292505789, + 135.08452032357891, + 135.0874422345789, + 135.0903641455789, + 135.0908402635789, + 135.0937621745789, + 135.09668408557891, + 136.0878751585789, + 136.0907970695789, + 136.0937189805789, + 136.0941950985789, + 136.0971170095789, + 136.1000389205789, + 137.0912299935789, + 137.0941519045789, + 137.0975499335789, + 137.1004718445789 + ], + "mass_to_charge_si_kg_c": [ + 1.3689207778097076e-06, + 1.3792543163290568e-06, + 1.379319817891497e-06, + 1.3793501013650448e-06, + 1.3896533564108466e-06, + 1.389683639884394e-06, + 1.389718857973287e-06, + 1.389749141446834e-06, + 1.3897794249203819e-06, + 1.4000523964926365e-06, + 1.4000826799661837e-06, + 1.400112963439731e-06, + 1.4001178980550767e-06, + 1.400148181528624e-06, + 1.4001784650021714e-06, + 1.4104514365744259e-06, + 1.4104817200479733e-06, + 1.4105120035215206e-06, + 1.410516938136866e-06, + 1.4105472216104136e-06, + 1.4105775050839608e-06, + 1.4208504766562154e-06, + 1.420880760129763e-06, + 1.420915978218656e-06, + 1.4209462616922032e-06 + ], + "probability": [ + 0.9034806279352647, + 0.0033006839753546547, + 0.08794620890545438, + 0.0009352099990628913, + 0.00032129370951850125, + 3.41660082358678e-06, + 0.0038048091995890486, + 9.103479521859542e-05, + 4.302460778678849e-07, + 1.390010185726458e-05, + 3.325772357337582e-07, + 1.5718171378207684e-09, + 9.602082585303406e-05, + 3.938430441075389e-06, + 4.1880822095094826e-08, + 3.507926915021117e-07, + 1.4388260072177141e-08, + 1.5300312379676538e-10, + 1.557802744305263e-06, + 9.939298495115965e-08, + 1.7615561928875647e-09, + 5.69111765754462e-09, + 3.6311219360695046e-10, + 1.684877121607835e-08, + 1.6125112791530497e-09 + ], + "relative_intensity": [ + 1.0, + 0.0036532980047372437, + 0.09734155463459014, + 0.0010351190386894494, + 0.0003556177073245695, + 3.781598318709699e-06, + 0.004211279226079507, + 0.00010076009645789346, + 4.762095218921644e-07, + 1.5385057994027667e-05, + 3.681066593467543e-07, + 1.7397352961655207e-09, + 0.00010627878770624183, + 4.359175304152268e-06, + 4.6354975192778157e-08, + 3.882680830731064e-07, + 1.5925366440959347e-08, + 1.6934853838142082e-10, + 1.7242237366675239e-06, + 1.1001119656356511e-07, + 1.9497442871722337e-09, + 6.2991031368880595e-09, + 4.019036849044292e-10, + 1.864873545167543e-08, + 1.7847768167848174e-09 + ], + "retained_probability": 0.999999999561143, + "excluded_probability": 4.388569507796092e-10, + "evidence": "derived", + "source": [ + "nist_isotopes", + "codata2022_u", + "codata2022_e", + "codata2022_me", + "codata2022_mp" + ], + "unit": "1", + "method": "Independent natural elemental abundances normalized per element; atomic masses each rounded once to 1e-9 u and exactly summed as integer nano-u during atom convolution; prune probability<1e-10 and cap4096 states after each atom. No renormalization of retained probabilities. Positive neutral molecule adds fixed CODATA proton; negative molecule loses one natural H atom and gains CODATA electron. Electron/proton binding-energy conventions are molecular mass approximations, not measured MS1 or isotope response.", + "physical_scope": "Derived isotope-composition probabilities, not response/ionization efficiency; instrument-resolved profile is synthetic." + }, + "ms2": { + "mass_to_charge_relative": [ + 91.0542, + 105.0698, + 115.054, + 117.0572, + 130.0652, + 131.0729, + 132.0807 + ], + "mass_to_charge_si_kg_c": [ + 9.437102831275934e-07, + 1.0889717410746526e-06, + 1.1924506822855194e-06, + 1.2132123872827758e-06, + 1.3480308071132037e-06, + 1.3584748816568017e-06, + 1.3689199926273664e-06 + ], + "raw_intensity": [ + 80977.1, + 417545.0, + 128741.3, + 4246033.0, + 66045.3, + 64198.2, + 48005992.0 + ], + "raw_intensity_unit": "unspecified instrument intensity, not counts/A/C", + "published_relative_intensity": [ + 1, + 8, + 2, + 88, + 1, + 1, + 999 + ], + "relative_intensity": [ + 0.0016868123462587755, + 0.008697768395245328, + 0.0026817756416740645, + 0.0884479795772161, + 0.0013757720077943604, + 0.0013372955609374762, + 1.0 + ], + "normalization": "all original raw-intensity values divided by their original maximum; full spectrum retained, no mass-domain renormalization", + "relative_intensity_unit": "1", + "evidence": "measured_literature", + "source": "massbank_sm801802", + "annotations_raw": [ + { + "line": 47, + "raw": " 91.0542 C7H7+ 1 91.0542 -0.26" + }, + { + "line": 48, + "raw": " 105.0698 C8H9+ 1 105.0699 -0.68" + }, + { + "line": 49, + "raw": " 115.054 C9H7+ 1 115.0542 -1.59" + }, + { + "line": 50, + "raw": " 117.0572 C8H7N+ 1 117.0573 -0.48" + }, + { + "line": 51, + "raw": " 130.0652 C9H8N+ 1 130.0651 0.4" + }, + { + "line": 52, + "raw": " 131.0729 C9H9N+ 1 131.073 -0.31" + }, + { + "line": 53, + "raw": " 132.0807 C9H10N+ 1 132.0808 -0.78" + } + ], + "source_peak_count": 7, + "original_acquisition_type": "processed centroid peak table, loess recalibrated by RMassBank; not unprocessed detector electronics" + }, + "range_40_3000": { + "original_indices": [ + 0, + 1, + 2, + 3, + 4, + 5, + 6 + ], + "retained_raw_intensity_fraction": 1.0, + "meaning": "Fraction of sums of reported intensities, not analyte yield/ion count/charge/mass" + }, + "source": "massbank_sm801802", + "evidence": "measured_literature", + "source_field_lines": { + "ACCESSION": [ + 1 + ], + "RECORD_TITLE": [ + 2 + ], + "DATE": [ + 3 + ], + "AUTHORS": [ + 4 + ], + "LICENSE": [ + 5 + ], + "COPYRIGHT": [ + 6 + ], + "PUBLICATION": [ + 7 + ], + "COMMENT": [ + 8, + 9 + ], + "CH$NAME": [ + 10, + 11, + 12 + ], + "CH$COMPOUND_CLASS": [ + 13 + ], + "CH$FORMULA": [ + 14 + ], + "CH$EXACT_MASS": [ + 15 + ], + "CH$SMILES": [ + 16 + ], + "CH$IUPAC": [ + 17 + ], + "CH$LINK": [ + 18, + 19, + 20, + 21, + 22, + 23, + 24 + ], + "AC$INSTRUMENT": [ + 25 + ], + "AC$INSTRUMENT_TYPE": [ + 26 + ], + "AC$MASS_SPECTROMETRY": [ + 27, + 28, + 29, + 30, + 31, + 32 + ], + "AC$CHROMATOGRAPHY": [ + 33, + 34, + 35, + 36, + 37, + 38 + ], + "MS$FOCUSED_ION": [ + 39, + 40, + 41 + ], + "MS$DATA_PROCESSING": [ + 42, + 43, + 44 + ], + "PK$SPLASH": [ + 45 + ], + "PK$ANNOTATION": [ + 46 + ], + "PK$NUM_PEAK": [ + 54 + ], + "PK$PEAK": [ + 55 + ] + }, + "source_headers": { + "ACCESSION": [ + "MSBNK-CASMI_2016-SM801802" + ], + "RECORD_TITLE": [ + "2-Methylindole; LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M+H]+" + ], + "DATE": [ + "2016.12.12" + ], + "AUTHORS": [ + "Krauss M, Schymanski EL, Weidauer C, Schupke H, UFZ and Eawag" + ], + "LICENSE": [ + "CC BY" + ], + "COPYRIGHT": [ + "Copyright (C) 2016 UFZ/Eawag" + ], + "PUBLICATION": [ + "Schymanski, E. L.; Ruttkies, C.; Krauss, M.; Brouard, C.; Kind, T.; Dührkop, K.; Allen, F.; Vaniya, A.; Verdegem, D.; Böcker, S.; et al. Critical Assessment of Small Molecule Identification 2016: Automated Methods. Journal of Cheminformatics 2017, 9 (1). DOI:10.1186/s13321-017-0207-1" + ], + "COMMENT": [ + "CONFIDENCE standard compound", + "INTERNAL_ID 8018" + ], + "CH$NAME": [ + "2-Methylindole", + "2-METHYLINDOLE", + "2-methyl-1H-indole" + ], + "CH$COMPOUND_CLASS": [ + "N/A; Environmental Standard" + ], + "CH$FORMULA": [ + "C9H9N" + ], + "CH$EXACT_MASS": [ + "131.07350" + ], + "CH$SMILES": [ + "CC1=CC2=CC=CC=C2N1" + ], + "CH$IUPAC": [ + "InChI=1S/C9H9N/c1-7-6-8-4-2-3-5-9(8)10-7/h2-6,10H,1H3" + ], + "CH$LINK": [ + "CAS 95-20-5", + "CHEBI CHEBI:49402", + "PUBCHEM CID:7224", + "INCHIKEY BHNHHSOHWZKFOX-UHFFFAOYSA-N", + "CHEMSPIDER 6954", + "COMPTOX DTXSID5059117", + "ChemOnt CHEMONTID:0002497; Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indoles" + ], + "AC$INSTRUMENT": [ + "Q Exactive Plus Orbitrap Thermo Scientific" + ], + "AC$INSTRUMENT_TYPE": [ + "LC-ESI-QFT" + ], + "AC$MASS_SPECTROMETRY": [ + "MS_TYPE MS2", + "ION_MODE POSITIVE", + "IONIZATION ESI", + "FRAGMENTATION_MODE HCD", + "COLLISION_ENERGY 35 (nominal)", + "RESOLUTION 35000" + ], + "AC$CHROMATOGRAPHY": [ + "COLUMN_NAME Kinetex C18 EVO 2.6 um, 2.1x50 mm, precolumn 2.1x5 mm, Phenomenex", + "FLOW_GRADIENT 95/5 at 0 min, 95/5 at 1 min, 0/100 at 13 min, 0/100 at 24 min", + "FLOW_RATE 300 uL/min", + "RETENTION_TIME 8.889 min", + "SOLVENT A water with 0.1% formic acid", + "SOLVENT B methanol with 0.1% formic acid" + ], + "MS$FOCUSED_ION": [ + "BASE_PEAK 65.0597", + "PRECURSOR_M/Z 132.0808", + "PRECURSOR_TYPE [M+H]+" + ], + "MS$DATA_PROCESSING": [ + "RECALIBRATE loess on assigned fragments and MS1", + "REANALYZE Peaks with additional N2/O included", + "WHOLE RMassBank 2.3.1" + ], + "PK$SPLASH": [ + "splash10-001i-0900000000-1411784b6aa327d8a4f6" + ], + "PK$ANNOTATION": [ + "m/z tentative_formula formula_count mass error(ppm)" + ], + "PK$NUM_PEAK": [ + "7" + ], + "PK$PEAK": [ + "m/z int. rel.int." + ] + }, + "limitations": [ + "Source Q Exactive Plus differs from target Exploris120. Fixed MS2 spectrum transfer requires explicit host acceptance.", + "35000 source resolving power is not a selectable Exploris120 resolving-power setting; resampling does not create original resolution.", + "Polarity/adduct and reported nominal NCE are retained, but record35 versus paper stepped20/35/50 remains unresolved; even nominally matching NCE requires explicit source-condition transfer acceptance.", + "Source intensity is not concentration calibration, detector count, current or FT transient.", + "Precursor formula and mass reference are not a certified calibrant assignment; current mass-scale and response require explicit model observations.", + "All MS1 isotope probabilities are theoretical natural-isotope references; no actual ESI response or solvent-specific adduct equilibrium is claimed.", + "A single-peak MS2 record is a valid reference but does not establish a rich structural fragmentation pattern or unique molecular structure." + ] + }, + "sm802253": { + "substance_id": "sm802253", + "accession": "MSBNK-CASMI_2016-SM802253", + "name_en": "4-Phenoxyphenol", + "names": [ + "4-Phenoxyphenol" + ], + "formula": "C12H10O2", + "element_counts": { + "C": 12, + "H": 10, + "O": 2 + }, + "inchikey": "ZSBDGXGICLIJGD-UHFFFAOYSA-N", + "inchi": "InChI=1S/C12H10O2/c13-10-6-8-12(9-7-10)14-11-4-2-1-3-5-11/h1-9,13H", + "smiles": "OC1=CC=C(OC2=CC=CC=C2)C=C1", + "cas": "831-82-3", + "pubchem_cid": "CID:13254", + "molar_mass_kg_mol": 0.1862070481500173, + "molar_mass_evidence": "derived approximate average from NIST representative isotope composition, not current specimen isotopic mass", + "source_neutral_exact_mass_u": 186.0681, + "neutral_exact_mass_u": 186.06807956144002, + "neutral_exact_mass_evidence": "derived from most abundant NIST isotope of each element, source rounded CH$EXACT_MASS retained separately", + "precursor_mz": 185.0608, + "precursor_mz_si_kg_c": 1.9180200360205125e-06, + "precursor_mz_evidence": "reported precursor selection/reference setting, not 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L.; Ruttkies, C.; Krauss, M.; Brouard, C.; Kind, T.; Dührkop, K.; Allen, F.; Vaniya, A.; Verdegem, D.; Böcker, S.; et al. Critical Assessment of Small Molecule Identification 2016: Automated Methods. Journal of Cheminformatics 2017, 9 (1). DOI:10.1186/s13321-017-0207-1" + ], + "COMMENT": [ + "CONFIDENCE standard compound", + "INTERNAL_ID 8022" + ], + "CH$NAME": [ + "4-Phenoxyphenol" + ], + "CH$COMPOUND_CLASS": [ + "N/A; Environmental Standard" + ], + "CH$FORMULA": [ + "C12H10O2" + ], + "CH$EXACT_MASS": [ + "186.0681" + ], + "CH$SMILES": [ + "OC1=CC=C(OC2=CC=CC=C2)C=C1" + ], + "CH$IUPAC": [ + "InChI=1S/C12H10O2/c13-10-6-8-12(9-7-10)14-11-4-2-1-3-5-11/h1-9,13H" + ], + "CH$LINK": [ + "CAS 831-82-3", + "PUBCHEM CID:13254", + "INCHIKEY ZSBDGXGICLIJGD-UHFFFAOYSA-N", + "CHEMSPIDER 12696", + "COMPTOX DTXSID2022127", + "ChemOnt CHEMONTID:0004155; Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylethers" + ], + "AC$INSTRUMENT": [ + "Q Exactive Plus Orbitrap Thermo Scientific" + ], + "AC$INSTRUMENT_TYPE": [ + "LC-ESI-QFT" + ], + "AC$MASS_SPECTROMETRY": [ + "MS_TYPE MS2", + "ION_MODE NEGATIVE", + "IONIZATION ESI", + "FRAGMENTATION_MODE HCD", + "COLLISION_ENERGY 35 (nominal)", + "RESOLUTION 35000" + ], + "AC$CHROMATOGRAPHY": [ + "COLUMN_NAME Kinetex C18 EVO 2.6 um, 2.1x50 mm, precolumn 2.1x5 mm, Phenomenex", + "FLOW_GRADIENT 95/5 at 0 min, 95/5 at 1 min, 0/100 at 13 min, 0/100 at 24 min", + "FLOW_RATE 300 uL/min", + "RETENTION_TIME 9.719 min", + "SOLVENT A water with 0.1% formic acid", + "SOLVENT B methanol with 0.1% formic acid" + ], + "MS$FOCUSED_ION": [ + "BASE_PEAK 91.0022", + "PRECURSOR_M/Z 185.0608", + "PRECURSOR_TYPE [M-H]-" + ], + "MS$DATA_PROCESSING": [ + "RECALIBRATE loess on assigned fragments and MS1", + "REANALYZE Peaks with additional N2/O included", + "WHOLE RMassBank 2.3.1" + ], + "PK$SPLASH": [ + "splash10-000i-0900000000-3b0a59c9e665aa24297e" + ], + "PK$ANNOTATION": [ + "m/z tentative_formula formula_count mass error(ppm)" + ], + "PK$NUM_PEAK": [ + "7" + ], + "PK$PEAK": [ + "m/z int. rel.int." + ] + }, + "limitations": [ + "Source Q Exactive Plus differs from target Exploris120. Fixed MS2 spectrum transfer requires explicit host acceptance.", + "35000 source resolving power is not a selectable Exploris120 resolving-power setting; resampling does not create original resolution.", + "Polarity/adduct and reported nominal NCE are retained, but record35 versus paper stepped20/35/50 remains unresolved; even nominally matching NCE requires explicit source-condition transfer acceptance.", + "Source intensity is not concentration calibration, detector count, current or FT transient.", + "Precursor formula and mass reference are not a certified calibrant assignment; current mass-scale and response require explicit model observations.", + "All MS1 isotope probabilities are theoretical natural-isotope references; no actual ESI response or solvent-specific adduct equilibrium is claimed.", + "A single-peak MS2 record is a valid reference but does not establish a rich structural fragmentation pattern or unique molecular structure." + ] + }, + "sm802401": { + "substance_id": "sm802401", + "accession": "MSBNK-CASMI_2016-SM802401", + "name_en": "5-Methyl-1-(propan-2-yl)-1H-indole-2,3dione", + "names": [ + "5-Methyl-1-(propan-2-yl)-1H-indole-2,3dione", + "F1707-0083", + "5-methyl-1-propan-2-ylindole-2,3-dione" + ], + "formula": "C12H13NO2", + "element_counts": { + "C": 12, + "H": 13, + "N": 1, + "O": 2 + }, + "inchikey": "SYJHSTNDLFUIMT-UHFFFAOYSA-N", + "inchi": "InChI=1S/C12H13NO2/c1-7(2)13-10-5-4-8(3)6-9(10)11(14)12(13)15/h4-7H,1-3H3", + "smiles": "CC(C)N1C(=O)C(=O)C2=CC(C)=CC=C12", + "cas": null, + "pubchem_cid": "CID:2145522", + "molar_mass_kg_mol": 0.20323757362363043, + "molar_mass_evidence": "derived approximate average from NIST representative isotope composition, not current specimen isotopic mass", + "source_neutral_exact_mass_u": 203.09463, + "neutral_exact_mass_u": 203.09462866256, + "neutral_exact_mass_evidence": "derived from most abundant NIST isotope of each element, source rounded CH$EXACT_MASS retained separately", + "precursor_mz": 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L.; Ruttkies, C.; Krauss, M.; Brouard, C.; Kind, T.; Dührkop, K.; Allen, F.; Vaniya, A.; Verdegem, D.; Böcker, S.; et al. Critical Assessment of Small Molecule Identification 2016: Automated Methods. Journal of Cheminformatics 2017, 9 (1). DOI:10.1186/s13321-017-0207-1" + ], + "COMMENT": [ + "CONFIDENCE standard compound", + "INTERNAL_ID 8024" + ], + "CH$NAME": [ + "5-Methyl-1-(propan-2-yl)-1H-indole-2,3dione", + "F1707-0083", + "5-methyl-1-propan-2-ylindole-2,3-dione" + ], + "CH$COMPOUND_CLASS": [ + "N/A; Environmental Standard" + ], + "CH$FORMULA": [ + "C12H13NO2" + ], + "CH$EXACT_MASS": [ + "203.09463" + ], + "CH$SMILES": [ + "CC(C)N1C(=O)C(=O)C2=CC(C)=CC=C12" + ], + "CH$IUPAC": [ + "InChI=1S/C12H13NO2/c1-7(2)13-10-5-4-8(3)6-9(10)11(14)12(13)15/h4-7H,1-3H3" + ], + "CH$LINK": [ + "PUBCHEM CID:2145522", + "INCHIKEY SYJHSTNDLFUIMT-UHFFFAOYSA-N", + "CHEMSPIDER 1606080", + "COMPTOX DTXSID00891495", + "ChemOnt CHEMONTID:0000211; Organic compounds; Organoheterocyclic compounds; Indoles and derivatives" + ], + "AC$INSTRUMENT": [ + "Q Exactive Plus Orbitrap Thermo Scientific" + ], + "AC$INSTRUMENT_TYPE": [ + "LC-ESI-QFT" + ], + "AC$MASS_SPECTROMETRY": [ + "MS_TYPE MS2", + "ION_MODE POSITIVE", + "IONIZATION ESI", + "FRAGMENTATION_MODE HCD", + "COLLISION_ENERGY 35 (nominal)", + "RESOLUTION 35000" + ], + "AC$CHROMATOGRAPHY": [ + "COLUMN_NAME Kinetex C18 EVO 2.6 um, 2.1x50 mm, precolumn 2.1x5 mm, Phenomenex", + "FLOW_GRADIENT 95/5 at 0 min, 95/5 at 1 min, 0/100 at 13 min, 0/100 at 24 min", + "FLOW_RATE 300 uL/min", + "RETENTION_TIME 9.756 min", + "SOLVENT A water with 0.1% formic acid", + "SOLVENT B methanol with 0.1% formic acid" + ], + "MS$FOCUSED_ION": [ + "BASE_PEAK 204.1018", + "PRECURSOR_M/Z 204.1019", + "PRECURSOR_TYPE [M+H]+" + ], + "MS$DATA_PROCESSING": [ + "RECALIBRATE loess on assigned fragments and MS1", + "REANALYZE Peaks with additional N2/O included", + "WHOLE RMassBank 2.3.1" + ], + "PK$SPLASH": [ + "splash10-03di-0920000000-7128d7b9243136baa2a1" + ], + "PK$ANNOTATION": [ + "m/z tentative_formula formula_count mass error(ppm)" + ], + "PK$NUM_PEAK": [ + "12" + ], + "PK$PEAK": [ + "m/z int. rel.int." + ] + }, + "limitations": [ + "Source Q Exactive Plus differs from target Exploris120. Fixed MS2 spectrum transfer requires explicit host acceptance.", + "35000 source resolving power is not a selectable Exploris120 resolving-power setting; resampling does not create original resolution.", + "Polarity/adduct and reported nominal NCE are retained, but record35 versus paper stepped20/35/50 remains unresolved; even nominally matching NCE requires explicit source-condition transfer acceptance.", + "Source intensity is not concentration calibration, detector count, current or FT transient.", + "Precursor formula and mass reference are not a certified calibrant assignment; current mass-scale and response require explicit model observations.", + "All MS1 isotope probabilities are theoretical natural-isotope references; no actual ESI response or solvent-specific adduct equilibrium is claimed.", + "A single-peak MS2 record is a valid reference but does not establish a rich structural fragmentation pattern or unique molecular structure." + ] + }, + "sm802503": { + "substance_id": "sm802503", + "accession": "MSBNK-CASMI_2016-SM802503", + "name_en": "9-Acetylanthracene", + "names": [ + "9-Acetylanthracene", + "9-Acetylanthracen", + "1-anthracen-9-ylethanone" + ], + "formula": "C16H12O", + "element_counts": { + "C": 16, + "H": 12, + "O": 1 + }, + "inchikey": "NXXNVJDXUHMAHU-UHFFFAOYSA-N", + "inchi": "InChI=1S/C16H12O/c1-11(17)16-14-8-4-2-6-12(14)10-13-7-3-5-9-15(13)16/h2-10H,1H3", + "smiles": "CC(=O)C1=C2C=CC=CC2=CC2=CC=CC=C12", + "cas": "784-04-3", + "pubchem_cid": "CID:69911", + "molar_mass_kg_mol": 0.22026646832075158, + "molar_mass_evidence": "derived approximate average from NIST representative isotope composition, not current specimen isotopic mass", + "source_neutral_exact_mass_u": 220.08882, + "neutral_exact_mass_u": 220.08881500633, + "neutral_exact_mass_evidence": "derived from most abundant NIST isotope of each element, source rounded CH$EXACT_MASS retained separately", + "precursor_mz": 221.0961, + "precursor_mz_si_kg_c": 2.2914996027575524e-06, + 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Electron/proton binding-energy conventions are molecular mass approximations, not measured MS1 or isotope response.", + "physical_scope": "Derived isotope-composition probabilities, not response/ionization efficiency; instrument-resolved profile is synthetic." + }, + "ms2": { + "mass_to_charge_relative": [ + 137.0598, + 162.055, + 177.0695, + 178.0778, + 179.0855, + 193.1012, + 202.0776, + 203.0855, + 205.0651, + 221.0961 + ], + "mass_to_charge_si_kg_c": [ + 1.4205247277271266e-06, + 1.6795817209117443e-06, + 1.8351960478293306e-06, + 1.8456463409347285e-06, + 1.8560904154783267e-06, + 2.001352909852352e-06, + 2.0943867400926544e-06, + 2.1048328874901857e-06, + 2.1253499957232975e-06, + 2.2914996027575524e-06 + ], + "raw_intensity": [ + 28738.2, + 15639.0, + 26880.1, + 2202764.5, + 6353115.0, + 1459820.2, + 94252.0, + 493737.4, + 37011.4, + 13459760.0 + ], + "raw_intensity_unit": "unspecified instrument intensity, not counts/A/C", + "published_relative_intensity": [ + 2, + 1, + 1, + 163, + 471, + 108, + 6, + 36, + 2, + 999 + ], + "relative_intensity": [ + 0.002135119794112228, + 0.0011619077903320713, + 0.0019970712702158137, + 0.16365555552253533, + 0.47200804471996527, + 0.10845811515212753, + 0.0070025022734432115, + 0.036682481708440566, + 0.002749781571142428, + 1.0 + ], + "normalization": "all original raw-intensity values divided by their original maximum; full spectrum retained, no mass-domain renormalization", + "relative_intensity_unit": "1", + "evidence": "measured_literature", + "source": "massbank_sm802503", + "annotations_raw": [ + { + "line": 46, + "raw": " 137.0598 C8H9O2+ 1 137.0597 0.81" + }, + { + "line": 47, + "raw": " 162.055 C9H8NO2+ 1 162.055 0.16" + }, + { + "line": 48, + "raw": " 177.0695 C14H9+ 1 177.0699 -2.35" + }, + { + "line": 49, + "raw": " 178.0778 C14H10+ 1 178.0777 0.34" + }, + { + "line": 50, + "raw": " 179.0855 C14H11+ 1 179.0855 -0.15" + }, + { + "line": 51, + "raw": " 193.1012 C15H13+ 1 193.1012 0.28" + }, + { + "line": 52, + "raw": " 202.0776 C16H10+ 1 202.0777 -0.31" + }, + { + "line": 53, + "raw": " 203.0855 C16H11+ 1 203.0855 -0.21" + }, + { + "line": 54, + "raw": " 205.0651 C15H9O+ 1 205.0648 1.44" + }, + { + "line": 55, + "raw": " 221.0961 C16H13O+ 1 221.0961 0.11" + } + ], + "source_peak_count": 10, + "original_acquisition_type": "processed centroid peak table, loess recalibrated by RMassBank; not unprocessed detector electronics" + }, + "range_40_3000": { + "original_indices": [ + 0, + 1, + 2, + 3, + 4, + 5, + 6, + 7, + 8, + 9 + ], + "retained_raw_intensity_fraction": 1.0, + "meaning": "Fraction of sums of reported intensities, not analyte yield/ion count/charge/mass" + }, + "source": "massbank_sm802503", + "evidence": "measured_literature", + "source_field_lines": { + "ACCESSION": [ + 1 + ], + "RECORD_TITLE": [ + 2 + ], + "DATE": [ + 3 + ], + "AUTHORS": [ + 4 + ], + "LICENSE": [ + 5 + ], + "COPYRIGHT": [ + 6 + ], + "PUBLICATION": [ + 7 + ], + "COMMENT": [ + 8, + 9 + ], + "CH$NAME": [ + 10, + 11, + 12 + ], + "CH$COMPOUND_CLASS": [ + 13 + ], + "CH$FORMULA": [ + 14 + ], + "CH$EXACT_MASS": [ + 15 + ], + "CH$SMILES": [ + 16 + ], + "CH$IUPAC": [ + 17 + ], + "CH$LINK": [ + 18, + 19, + 20, + 21, + 22, + 23 + ], + "AC$INSTRUMENT": [ + 24 + ], + "AC$INSTRUMENT_TYPE": [ + 25 + ], + "AC$MASS_SPECTROMETRY": [ + 26, + 27, + 28, + 29, + 30, + 31 + ], + "AC$CHROMATOGRAPHY": [ + 32, + 33, + 34, + 35, + 36, + 37 + ], + "MS$FOCUSED_ION": [ + 38, + 39, + 40 + ], + "MS$DATA_PROCESSING": [ + 41, + 42, + 43 + ], + "PK$SPLASH": [ + 44 + ], + "PK$ANNOTATION": [ + 45 + ], + "PK$NUM_PEAK": [ + 56 + ], + "PK$PEAK": [ + 57 + ] + }, + "source_headers": { + "ACCESSION": [ + "MSBNK-CASMI_2016-SM802503" + ], + "RECORD_TITLE": [ + "9-Acetylanthracene; LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M+H]+" + ], + "DATE": [ + "2016.12.12" + ], + "AUTHORS": [ + "Krauss M, Schymanski EL, Weidauer C, Schupke H, UFZ and Eawag" + ], + "LICENSE": [ + "CC BY" + ], + "COPYRIGHT": [ + "Copyright (C) 2016 UFZ/Eawag" + ], + "PUBLICATION": [ + "Schymanski, E. L.; Ruttkies, C.; Krauss, M.; Brouard, C.; Kind, T.; Dührkop, K.; Allen, F.; Vaniya, A.; Verdegem, D.; Böcker, S.; et al. Critical Assessment of Small Molecule Identification 2016: Automated Methods. Journal of Cheminformatics 2017, 9 (1). DOI:10.1186/s13321-017-0207-1" + ], + "COMMENT": [ + "CONFIDENCE standard compound", + "INTERNAL_ID 8025" + ], + "CH$NAME": [ + "9-Acetylanthracene", + "9-Acetylanthracen", + "1-anthracen-9-ylethanone" + ], + "CH$COMPOUND_CLASS": [ + "N/A; Environmental Standard" + ], + "CH$FORMULA": [ + "C16H12O" + ], + "CH$EXACT_MASS": [ + "220.08882" + ], + "CH$SMILES": [ + "CC(=O)C1=C2C=CC=CC2=CC2=CC=CC=C12" + ], + "CH$IUPAC": [ + "InChI=1S/C16H12O/c1-11(17)16-14-8-4-2-6-12(14)10-13-7-3-5-9-15(13)16/h2-10H,1H3" + ], + "CH$LINK": [ + "CAS 784-04-3", + "PUBCHEM CID:69911", + "INCHIKEY NXXNVJDXUHMAHU-UHFFFAOYSA-N", + "CHEMSPIDER 63106", + "COMPTOX DTXSID90229061", + "ChemOnt CHEMONTID:0000018; Organic compounds; Benzenoids; Anthracenes" + ], + "AC$INSTRUMENT": [ + "Q Exactive Plus Orbitrap Thermo Scientific" + ], + "AC$INSTRUMENT_TYPE": [ + "LC-ESI-QFT" + ], + "AC$MASS_SPECTROMETRY": [ + "MS_TYPE MS2", + "ION_MODE POSITIVE", + "IONIZATION ESI", + "FRAGMENTATION_MODE HCD", + "COLLISION_ENERGY 35 (nominal)", + "RESOLUTION 35000" + ], + "AC$CHROMATOGRAPHY": [ + "COLUMN_NAME Kinetex C18 EVO 2.6 um, 2.1x50 mm, precolumn 2.1x5 mm, Phenomenex", + "FLOW_GRADIENT 95/5 at 0 min, 95/5 at 1 min, 0/100 at 13 min, 0/100 at 24 min", + "FLOW_RATE 300 uL/min", + "RETENTION_TIME 11.963 min", + "SOLVENT A water with 0.1% formic acid", + "SOLVENT B methanol with 0.1% formic acid" + ], + "MS$FOCUSED_ION": [ + "BASE_PEAK 65.0597", + "PRECURSOR_M/Z 221.0961", + "PRECURSOR_TYPE [M+H]+" + ], + "MS$DATA_PROCESSING": [ + "RECALIBRATE loess on assigned fragments and MS1", + "REANALYZE Peaks with additional N2/O included", + "WHOLE RMassBank 2.3.1" + ], + "PK$SPLASH": [ + "splash10-00fr-0690000000-89f82567dab2adb7affa" + ], + "PK$ANNOTATION": [ + "m/z tentative_formula formula_count mass error(ppm)" + ], + "PK$NUM_PEAK": [ + "10" + ], + "PK$PEAK": [ + "m/z int. rel.int." + ] + }, + "limitations": [ + "Source Q Exactive Plus differs from target Exploris120. Fixed MS2 spectrum transfer requires explicit host acceptance.", + "35000 source resolving power is not a selectable Exploris120 resolving-power setting; resampling does not create original resolution.", + "Polarity/adduct and reported nominal NCE are retained, but record35 versus paper stepped20/35/50 remains unresolved; even nominally matching NCE requires explicit source-condition transfer acceptance.", + "Source intensity is not concentration calibration, detector count, current or FT transient.", + "Precursor formula and mass reference are not a certified calibrant assignment; current mass-scale and response require explicit model observations.", + "All MS1 isotope probabilities are theoretical natural-isotope references; no actual ESI response or solvent-specific adduct equilibrium is claimed.", + "A single-peak MS2 record is a valid reference but does not establish a rich structural fragmentation pattern or unique molecular structure." + ] + }, + "sm802652": { + "substance_id": "sm802652", + "accession": "MSBNK-CASMI_2016-SM802652", + "name_en": "9-Anthracenecarboxylic acid", + "names": [ + "9-Anthracenecarboxylic acid", + "Anthracene-9-carboxylic acid" + ], + "formula": "C15H10O2", + "element_counts": { + "C": 15, + "H": 10, + "O": 2 + }, + "inchikey": "XGWFJBFNAQHLEF-UHFFFAOYSA-N", + "inchi": "InChI=1S/C15H10O2/c16-15(17)14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)14/h1-9H,(H,16,17)", + "smiles": "OC(=O)C1=C2C=CC=CC2=CC2=CC=CC=C12", + "cas": "723-62-6", + "pubchem_cid": "CID:2201", + "molar_mass_kg_mol": 0.22223925584022305, + "molar_mass_evidence": "derived approximate average from NIST representative isotope composition, not current specimen isotopic mass", + "source_neutral_exact_mass_u": 222.06808, + "neutral_exact_mass_u": 222.06807956144002, + "neutral_exact_mass_evidence": "derived from most abundant NIST isotope of each element, source rounded CH$EXACT_MASS retained separately", + "precursor_mz": 221.0608, + "precursor_mz_si_kg_c": 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L.; Ruttkies, C.; Krauss, M.; Brouard, C.; Kind, T.; Dührkop, K.; Allen, F.; Vaniya, A.; Verdegem, D.; Böcker, S.; et al. Critical Assessment of Small Molecule Identification 2016: Automated Methods. Journal of Cheminformatics 2017, 9 (1). DOI:10.1186/s13321-017-0207-1" + ], + "COMMENT": [ + "CONFIDENCE standard compound", + "INTERNAL_ID 8026" + ], + "CH$NAME": [ + "9-Anthracenecarboxylic acid", + "Anthracene-9-carboxylic acid" + ], + "CH$COMPOUND_CLASS": [ + "N/A; Environmental Standard" + ], + "CH$FORMULA": [ + "C15H10O2" + ], + "CH$EXACT_MASS": [ + "222.06808" + ], + "CH$SMILES": [ + "OC(=O)C1=C2C=CC=CC2=CC2=CC=CC=C12" + ], + "CH$IUPAC": [ + "InChI=1S/C15H10O2/c16-15(17)14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)14/h1-9H,(H,16,17)" + ], + "CH$LINK": [ + "CAS 723-62-6", + "CHEBI CHEBI:34507", + "KEGG C13699", + "PUBCHEM CID:2201", + "INCHIKEY XGWFJBFNAQHLEF-UHFFFAOYSA-N", + "CHEMSPIDER 2116", + "COMPTOX DTXSID7049427", + "ChemOnt CHEMONTID:0001911; Organic compounds; Benzenoids; Anthracenes; Anthracenecarboxylic acids and derivatives" + ], + "AC$INSTRUMENT": [ + "Q Exactive Plus Orbitrap Thermo Scientific" + ], + "AC$INSTRUMENT_TYPE": [ + "LC-ESI-QFT" + ], + "AC$MASS_SPECTROMETRY": [ + "MS_TYPE MS2", + "ION_MODE NEGATIVE", + "IONIZATION ESI", + "FRAGMENTATION_MODE HCD", + "COLLISION_ENERGY 35 (nominal)", + "RESOLUTION 35000" + ], + "AC$CHROMATOGRAPHY": [ + "COLUMN_NAME Kinetex C18 EVO 2.6 um, 2.1x50 mm, precolumn 2.1x5 mm, Phenomenex", + "FLOW_GRADIENT 95/5 at 0 min, 95/5 at 1 min, 0/100 at 13 min, 0/100 at 24 min", + "FLOW_RATE 300 uL/min", + "RETENTION_TIME 11.007 min", + "SOLVENT A water with 0.1% formic acid", + "SOLVENT B methanol with 0.1% formic acid" + ], + "MS$FOCUSED_ION": [ + "BASE_PEAK 91.0022", + "PRECURSOR_M/Z 221.0608", + "PRECURSOR_TYPE [M-H]-" + ], + "MS$DATA_PROCESSING": [ + "RECALIBRATE loess on assigned fragments and MS1", + "REANALYZE Peaks with additional N2/O included", + "WHOLE RMassBank 2.3.1" + ], + "PK$SPLASH": [ + "splash10-004i-0920000000-74d6774211ae2552ee49" + ], + "PK$ANNOTATION": [ + "m/z tentative_formula formula_count mass error(ppm)" + ], + "PK$NUM_PEAK": [ + "3" + ], + "PK$PEAK": [ + "m/z int. rel.int." + ] + }, + "limitations": [ + "Source Q Exactive Plus differs from target Exploris120. Fixed MS2 spectrum transfer requires explicit host acceptance.", + "35000 source resolving power is not a selectable Exploris120 resolving-power setting; resampling does not create original resolution.", + "Polarity/adduct and reported nominal NCE are retained, but record35 versus paper stepped20/35/50 remains unresolved; even nominally matching NCE requires explicit source-condition transfer acceptance.", + "Source intensity is not concentration calibration, detector count, current or FT transient.", + "Precursor formula and mass reference are not a certified calibrant assignment; current mass-scale and response require explicit model observations.", + "All MS1 isotope probabilities are theoretical natural-isotope references; no actual ESI response or solvent-specific adduct equilibrium is claimed.", + "A single-peak MS2 record is a valid reference but does not establish a rich structural fragmentation pattern or unique molecular structure." + ] + }, + "sm802851": { + "substance_id": 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L.; Ruttkies, C.; Krauss, M.; Brouard, C.; Kind, T.; Dührkop, K.; Allen, F.; Vaniya, A.; Verdegem, D.; Böcker, S.; et al. Critical Assessment of Small Molecule Identification 2016: Automated Methods. Journal of Cheminformatics 2017, 9 (1). DOI:10.1186/s13321-017-0207-1" + ], + "COMMENT": [ + "CONFIDENCE Reference Standard (Level 1)", + "INTERNAL_ID 8028" + ], + "CH$NAME": [ + "Alizarin", + "1,2-Dihydroxyanthracene-9,10-dione" + ], + "CH$COMPOUND_CLASS": [ + "N/A; Environmental Standard" + ], + "CH$FORMULA": [ + "C14H8O4" + ], + "CH$EXACT_MASS": [ + "240.04226" + ], + "CH$SMILES": [ + "OC1=CC=C2C(=O)C3=CC=CC=C3C(=O)C2=C1O" + ], + "CH$IUPAC": [ + "InChI=1S/C14H8O4/c15-10-6-5-9-11(14(10)18)13(17)8-4-2-1-3-7(8)12(9)16/h1-6,15,18H" + ], + "CH$LINK": [ + "CAS 72-48-0", + "CHEBI CHEBI:16866", + "KEGG C01474", + "PUBCHEM CID:6293", + "INCHIKEY RGCKGOZRHPZPFP-UHFFFAOYSA-N", + "CHEMSPIDER 6056", + "COMPTOX DTXSID5045960", + "ChemOnt CHEMONTID:0000151; Organic compounds; Benzenoids; Anthracenes; Anthraquinones" + ], + "AC$INSTRUMENT": [ + "Q Exactive Plus Orbitrap Thermo Scientific" + ], + "AC$INSTRUMENT_TYPE": [ + "LC-ESI-QFT" + ], + "AC$MASS_SPECTROMETRY": [ + "MS_TYPE MS2", + "ION_MODE NEGATIVE", + "IONIZATION ESI", + "FRAGMENTATION_MODE HCD", + "COLLISION_ENERGY 35 (nominal)", + "RESOLUTION 35000" + ], + "AC$CHROMATOGRAPHY": [ + "COLUMN_NAME Kinetex C18 EVO 2.6 um, 2.1x50 mm, precolumn 2.1x5 mm, Phenomenex", + "FLOW_GRADIENT 95/5 at 0 min, 95/5 at 1 min, 0/100 at 13 min, 0/100 at 24 min", + "FLOW_RATE 300 uL/min", + "RETENTION_TIME 10.874 min", + "SOLVENT A water with 0.1% formic acid", + "SOLVENT B methanol with 0.1% formic acid" + ], + "MS$FOCUSED_ION": [ + "BASE_PEAK 91.0021", + "PRECURSOR_M/Z 239.035", + "PRECURSOR_TYPE [M-H]-" + ], + "MS$DATA_PROCESSING": [ + "RECALIBRATE loess on assigned fragments and MS1", + "REANALYZE Peaks with additional N2/O included", + "WHOLE RMassBank 2.3.1" + ], + "PK$SPLASH": [ + "splash10-000i-0090000000-2e1af3fb26b31d5b8b16" + ], + "PK$ANNOTATION": [ + "m/z tentative_formula formula_count mass error(ppm)" + ], + "PK$NUM_PEAK": [ + "7" + ], + "PK$PEAK": [ + "m/z int. rel.int." + ] + }, + "limitations": [ + "Source Q Exactive Plus differs from target Exploris120. Fixed MS2 spectrum transfer requires explicit host acceptance.", + "35000 source resolving power is not a selectable Exploris120 resolving-power setting; resampling does not create original resolution.", + "Polarity/adduct and reported nominal NCE are retained, but record35 versus paper stepped20/35/50 remains unresolved; even nominally matching NCE requires explicit source-condition transfer acceptance.", + "Source intensity is not concentration calibration, detector count, current or FT transient.", + "Precursor formula and mass reference are not a certified calibrant assignment; current mass-scale and response require explicit model observations.", + "All MS1 isotope probabilities are theoretical natural-isotope references; no actual ESI response or solvent-specific adduct equilibrium is claimed.", + "A single-peak MS2 record is a valid reference but does not establish a rich structural fragmentation pattern or unique molecular structure." + ] + }, + "sm802903": { + "substance_id": 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not unprocessed detector electronics" + }, + "range_40_3000": { + "original_indices": [ + 0, + 1, + 2, + 3, + 4, + 5, + 6, + 7, + 8, + 9, + 10, + 11, + 12, + 13, + 14, + 15, + 16, + 17, + 18 + ], + "retained_raw_intensity_fraction": 1.0, + "meaning": "Fraction of sums of reported intensities, not analyte yield/ion count/charge/mass" + }, + "source": "massbank_sm802903", + "evidence": "measured_literature", + "source_field_lines": { + "ACCESSION": [ + 1 + ], + "RECORD_TITLE": [ + 2 + ], + "DATE": [ + 3 + ], + "AUTHORS": [ + 4 + ], + "LICENSE": [ + 5 + ], + "COPYRIGHT": [ + 6 + ], + "PUBLICATION": [ + 7 + ], + "COMMENT": [ + 8, + 9 + ], + "CH$NAME": [ + 10, + 11 + ], + "CH$COMPOUND_CLASS": [ + 12 + ], + "CH$FORMULA": [ + 13 + ], + "CH$EXACT_MASS": [ + 14 + ], + "CH$SMILES": [ + 15 + ], + "CH$IUPAC": [ + 16 + ], + "CH$LINK": [ + 17, + 18, + 19, + 20, + 21, + 22, + 23 + ], + "AC$INSTRUMENT": [ + 24 + ], + "AC$INSTRUMENT_TYPE": [ + 25 + ], + "AC$MASS_SPECTROMETRY": [ + 26, + 27, + 28, + 29, + 30, + 31 + ], + "AC$CHROMATOGRAPHY": [ + 32, + 33, + 34, + 35, + 36, + 37 + ], + "MS$FOCUSED_ION": [ + 38, + 39, + 40 + ], + "MS$DATA_PROCESSING": [ + 41, + 42, + 43 + ], + "PK$SPLASH": [ + 44 + ], + "PK$ANNOTATION": [ + 45 + ], + "PK$NUM_PEAK": [ + 65 + ], + "PK$PEAK": [ + 66 + ] + }, + "source_headers": { + "ACCESSION": [ + "MSBNK-CASMI_2016-SM802903" + ], + "RECORD_TITLE": [ + "Anthrone; LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M+H]+" + ], + "DATE": [ + "2016.12.12" + ], + "AUTHORS": [ + "Krauss M, Schymanski EL, Weidauer C, Schupke H, UFZ and Eawag" + ], + "LICENSE": [ + "CC BY" + ], + "COPYRIGHT": [ + "Copyright (C) 2016 UFZ/Eawag" + ], + "PUBLICATION": [ + "Schymanski, E. L.; Ruttkies, C.; Krauss, M.; Brouard, C.; Kind, T.; Dührkop, K.; Allen, F.; Vaniya, A.; Verdegem, D.; Böcker, S.; et al. Critical Assessment of Small Molecule Identification 2016: Automated Methods. Journal of Cheminformatics 2017, 9 (1). DOI:10.1186/s13321-017-0207-1" + ], + "COMMENT": [ + "CONFIDENCE standard compound", + "INTERNAL_ID 8029" + ], + "CH$NAME": [ + "Anthrone", + "10H-anthracen-9-one" + ], + "CH$COMPOUND_CLASS": [ + "N/A; Environmental Standard" + ], + "CH$FORMULA": [ + "C14H10O" + ], + "CH$EXACT_MASS": [ + "194.07316" + ], + "CH$SMILES": [ + "O=C1C2=CC=CC=C2CC2=CC=CC=C12" + ], + "CH$IUPAC": [ + "InChI=1S/C14H10O/c15-14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)14/h1-8H,9H2" + ], + "CH$LINK": [ + "CAS 90-44-8", + "CHEBI CHEBI:33835", + "PUBCHEM CID:7018", + "INCHIKEY RJGDLRCDCYRQOQ-UHFFFAOYSA-N", + "CHEMSPIDER 6751", + "COMPTOX DTXSID1049431", + "ChemOnt CHEMONTID:0000018; Organic compounds; Benzenoids; Anthracenes" + ], + "AC$INSTRUMENT": [ + "Q Exactive Plus Orbitrap Thermo Scientific" + ], + "AC$INSTRUMENT_TYPE": [ + "LC-ESI-QFT" + ], + "AC$MASS_SPECTROMETRY": [ + "MS_TYPE MS2", + "ION_MODE POSITIVE", + "IONIZATION ESI", + "FRAGMENTATION_MODE HCD", + "COLLISION_ENERGY 35 (nominal)", + "RESOLUTION 35000" + ], + "AC$CHROMATOGRAPHY": [ + "COLUMN_NAME Kinetex C18 EVO 2.6 um, 2.1x50 mm, precolumn 2.1x5 mm, Phenomenex", + "FLOW_GRADIENT 95/5 at 0 min, 95/5 at 1 min, 0/100 at 13 min, 0/100 at 24 min", + "FLOW_RATE 300 uL/min", + "RETENTION_TIME 11.341 min", + "SOLVENT A water with 0.1% formic acid", + "SOLVENT B methanol with 0.1% formic acid" + ], + "MS$FOCUSED_ION": [ + "BASE_PEAK 65.0597", + "PRECURSOR_M/Z 195.0804", + "PRECURSOR_TYPE [M+H]+" + ], + "MS$DATA_PROCESSING": [ + "RECALIBRATE loess on assigned fragments and MS1", + "REANALYZE Peaks with additional N2/O included", + "WHOLE RMassBank 2.3.1" + ], + "PK$SPLASH": [ + "splash10-0002-0900000000-9128dfbdfe1141dbaf95" + ], + "PK$ANNOTATION": [ + "m/z tentative_formula formula_count mass error(ppm)" + ], + "PK$NUM_PEAK": [ + "19" + ], + "PK$PEAK": [ + "m/z int. rel.int." + ] + }, + "limitations": [ + "Source Q Exactive Plus differs from target Exploris120. Fixed MS2 spectrum transfer requires explicit host acceptance.", + "35000 source resolving power is not a selectable Exploris120 resolving-power setting; resampling does not create original resolution.", + "Polarity/adduct and reported nominal NCE are retained, but record35 versus paper stepped20/35/50 remains unresolved; even nominally matching NCE requires explicit source-condition transfer acceptance.", + "Source intensity is not concentration calibration, detector count, current or FT transient.", + "Precursor formula and mass reference are not a certified calibrant assignment; current mass-scale and response require explicit model observations.", + "All MS1 isotope probabilities are theoretical natural-isotope references; no actual ESI response or solvent-specific adduct equilibrium is claimed.", + "A single-peak MS2 record is a valid reference but does not establish a rich structural fragmentation pattern or unique molecular structure." + ] + }, + "sm803002": { + "substance_id": "sm803002", + "accession": "MSBNK-CASMI_2016-SM803002", + "name_en": "Benzo[a]acridine", + "names": [ + "Benzo[a]acridine", + "Benz[a]acridine" + ], + "formula": "C17H11N", + "element_counts": { + "C": 17, + "H": 11, + "N": 1 + }, + "inchikey": "JEGZRTMZYUDVBF-UHFFFAOYSA-N", + "inchi": "InChI=1S/C17H11N/c1-3-7-14-12(5-1)9-10-17-15(14)11-13-6-2-4-8-16(13)18-17/h1-11H", + "smiles": "C1=CC=C2C(C=CC3=NC4=CC=CC=C4C=C23)=C1", + "cas": "225-11-6", + "pubchem_cid": "CID:9180", + "molar_mass_kg_mol": 0.22927656175055855, + "molar_mass_evidence": "derived approximate average from NIST representative isotope composition, not current specimen isotopic mass", + "source_neutral_exact_mass_u": 229.08915, + "neutral_exact_mass_u": 229.08914935896, + "neutral_exact_mass_evidence": "derived from most abundant NIST isotope of each element, source rounded CH$EXACT_MASS retained separately", + "precursor_mz": 230.0964, + "precursor_mz_si_kg_c": 2.3847811390428996e-06, + "precursor_mz_evidence": "reported precursor selection/reference setting, not independently available MS1 centroid data", + "derived_precursor_mz": 230.0964258255389, + "precursor_charge": 1, + "precursor_type": "[M+H]+", + "polarity": "positive", + "ionization": "ESI", + "fragmentation_mode": "HCD", + "instrument_type": "LC-ESI-QFT", + "instrument": "Q Exactive Plus Orbitrap Thermo Scientific", + "collision_energy": { + "value": 35.0, + "unit": "NCE", + "fraction": 0.35, + "raw": "35 (nominal)", + "unit_evidence": "RECORD_TITLE explicitly names NCE; no conversion to eV or V", + "paper_stepped_nce": [ + 20.0, + 35.0, + 50.0 + ], + "single_energy_verified": false, + "conflict": "Record labels35 NCE but cited paper Methods reports stepped20/35/50; cannot infer this is a pure35 spectrum." + }, + "source_resolution_200": 35000.0, + "source_resolution_evidence": "35000 nominal MS/MS resolving power at m/z200 documented in CASMI publication methods", + "conditions": { + "chromatography_raw": [ + "COLUMN_NAME Kinetex C18 EVO 2.6 um, 2.1x50 mm, precolumn 2.1x5 mm, Phenomenex", + "FLOW_GRADIENT 95/5 at 0 min, 95/5 at 1 min, 0/100 at 13 min, 0/100 at 24 min", + "FLOW_RATE 300 uL/min", + "RETENTION_TIME 8.927 min", + "SOLVENT A water with 0.1% formic acid", + "SOLVENT B methanol with 0.1% formic acid" + ], + "spectrometry_raw": [ + "MS_TYPE MS2", + "ION_MODE POSITIVE", + "IONIZATION ESI", + "FRAGMENTATION_MODE HCD", + "COLLISION_ENERGY 35 (nominal)", + "RESOLUTION 35000" + ], + "data_processing_raw": [ + "RECALIBRATE loess on assigned fragments and MS1", + "REANALYZE Peaks with additional N2/O included", + "WHOLE RMassBank 2.3.1" + ], + "confidence_raw": [ + "CONFIDENCE standard compound", + "INTERNAL_ID 8030" + ], + "sample_concentration_kg_m3": null, + "temperature_k": null, + "electronic_profile_available": false, + "measured_on_exploris120": false + }, + "record_kind": "measured_processed_ms2_reference", + "physical_input_eligible": true, + "mass_reference_eligible": true, + "concentration_calibration_eligible": false, + "ms1_measured": null, + "single_peak_only": false, + "derived_ms1": { + "mass_to_charge_relative": [ + 230.0964258225789, + 231.0934607175789, + 231.0997806575789, + 231.1027025685789, + 232.0968155525789, + 232.0997374635789, + 232.1031354925789, + 232.1060574035789, + 232.1089793145789, + 233.1001703875789, + 233.1030922985789, + 233.1060142095789, + 233.1064903275789, + 233.1094122385789, + 233.1123341495789, + 234.1035252225789, + 234.1064471335789, + 234.1093690445789, + 234.1098451625789, + 234.1127670735789, + 234.1156889845789, + 235.1068800575789, + 235.1098019685789, + 235.1131999975789, + 235.1161219085789, + 236.1102348925789, + 236.1131568035789, + 236.1165548325789, + 237.1199096675789 + ], + "mass_to_charge_si_kg_c": [ + 2.384781406675071e-06, + 2.39511494519442e-06, + 2.3951804467568603e-06, + 2.395210730230408e-06, + 2.40551398527621e-06, + 2.4055442687497573e-06, + 2.40557948683865e-06, + 2.4056097703121973e-06, + 2.4056400537857453e-06, + 2.4159130253579995e-06, + 2.4159433088315466e-06, + 2.4159735923050942e-06, + 2.41597852692044e-06, + 2.4160088103939874e-06, + 2.4160390938675346e-06, + 2.4263120654397892e-06, + 2.426342348913337e-06, + 2.426372632386884e-06, + 2.4263775670022296e-06, + 2.4264078504757768e-06, + 2.4264381339493244e-06, + 2.4367111055215786e-06, + 2.436741388995126e-06, + 2.436776607084019e-06, + 2.436806890557566e-06, + 2.4471101456033684e-06, + 2.447140429076916e-06, + 2.4471756471658087e-06, + 2.457574687247598e-06 + ], + "probability": [ + 0.8287871791543651, + 0.0030278065479564503, + 0.15238692801797132, + 0.0010485363633120528, + 0.0005567148600760925, + 3.830615803982368e-06, + 0.013185404870452182, + 0.00019279163498075644, + 6.029777513458351e-07, + 4.817021330487569e-05, + 7.043252954052284e-07, + 2.2028574158926893e-09, + 0.0007130487825423952, + 1.6681455528507793e-05, + 1.1086793992702657e-07, + 2.604979694542453e-06, + 6.094232819841058e-08, + 4.0503362372473473e-10, + 2.699249662004721e-05, + 9.02110452618181e-07, + 9.592940117005433e-09, + 9.861163404489527e-08, + 3.2956783166026124e-09, + 7.590531244008019e-07, + 3.4149435409431805e-08, + 2.7730472648630203e-09, + 1.2475806424418057e-10, + 1.6307980647442957e-08, + 1.1370455720980332e-10 + ], + "relative_intensity": [ + 1.0, + 0.0036532980047372437, + 0.18386738097644803, + 0.0012651454917315492, + 0.0006717223360575201, + 4.621953500645188e-06, + 0.01590927707630036, + 0.00023261898811884033, + 7.275423251130288e-07, + 5.812133019966008e-05, + 8.498264851585559e-07, + 2.6579289246973233e-09, + 0.0008603520909552908, + 2.012755016978949e-05, + 1.3377130186804801e-07, + 3.1431225772584794e-06, + 7.35319388755407e-08, + 4.887064302056434e-10, + 3.2568670581497676e-05, + 1.0884705691738979e-06, + 1.1574672434958973e-08, + 1.1898305925233e-07, + 3.976507358578213e-09, + 9.158601188489489e-07, + 4.120410675787171e-08, + 3.34590994480928e-09, + 1.505308810055131e-10, + 1.967692196214045e-08, + 1.3719391427582083e-10 + ], + "retained_probability": 0.9999999978465697, + "excluded_probability": 2.1534303229486795e-09, + "evidence": "derived", + "source": [ + "nist_isotopes", + "codata2022_u", + "codata2022_e", + "codata2022_me", + "codata2022_mp" + ], + "unit": "1", + "method": "Independent natural elemental abundances normalized per element; atomic masses each rounded once to 1e-9 u and exactly summed as integer nano-u during atom convolution; prune probability<1e-10 and cap4096 states after each atom. No renormalization of retained probabilities. Positive neutral molecule adds fixed CODATA proton; negative molecule loses one natural H atom and gains CODATA electron. Electron/proton binding-energy conventions are molecular mass approximations, not measured MS1 or isotope response.", + "physical_scope": "Derived isotope-composition probabilities, not response/ionization efficiency; instrument-resolved profile is synthetic." + }, + "ms2": { + "mass_to_charge_relative": [ + 229.0881, + 230.0963 + ], + "mass_to_charge_si_kg_c": [ + 2.3743308459375014e-06, + 2.3847801026159328e-06 + ], + "raw_intensity": [ + 1337680.0, + 527507072.0 + ], + "raw_intensity_unit": "unspecified instrument intensity, not counts/A/C", + "published_relative_intensity": [ + 2, + 999 + ], + "relative_intensity": [ + 0.0025358522586783443, + 1.0 + ], + "normalization": "all original raw-intensity values divided by their original maximum; full spectrum retained, no mass-domain renormalization", + "relative_intensity_unit": "1", + "evidence": "measured_literature", + "source": "massbank_sm803002", + "annotations_raw": [ + { + "line": 47, + "raw": " 229.0881 C17H11N+ 1 229.0886 -2.33" + }, + { + "line": 48, + "raw": " 230.0963 C17H12N+ 1 230.0964 -0.44" + } + ], + "source_peak_count": 2, + "original_acquisition_type": "processed centroid peak table, loess recalibrated by RMassBank; not unprocessed detector electronics" + }, + "range_40_3000": { + "original_indices": [ + 0, + 1 + ], + "retained_raw_intensity_fraction": 1.0, + "meaning": "Fraction of sums of reported intensities, not analyte yield/ion count/charge/mass" + }, + "source": "massbank_sm803002", + "evidence": "measured_literature", + "source_field_lines": { + "ACCESSION": [ + 1 + ], + "RECORD_TITLE": [ + 2 + ], + "DATE": [ + 3 + ], + "AUTHORS": [ + 4 + ], + "LICENSE": [ + 5 + ], + "COPYRIGHT": [ + 6 + ], + "PUBLICATION": [ + 7 + ], + "COMMENT": [ + 8, + 9 + ], + "CH$NAME": [ + 10, + 11 + ], + "CH$COMPOUND_CLASS": [ + 12 + ], + "CH$FORMULA": [ + 13 + ], + "CH$EXACT_MASS": [ + 14 + ], + "CH$SMILES": [ + 15 + ], + "CH$IUPAC": [ + 16 + ], + "CH$LINK": [ + 17, + 18, + 19, + 20, + 21, + 22, + 23, + 24 + ], + "AC$INSTRUMENT": [ + 25 + ], + "AC$INSTRUMENT_TYPE": [ + 26 + ], + "AC$MASS_SPECTROMETRY": [ + 27, + 28, + 29, + 30, + 31, + 32 + ], + "AC$CHROMATOGRAPHY": [ + 33, + 34, + 35, + 36, + 37, + 38 + ], + "MS$FOCUSED_ION": [ + 39, + 40, + 41 + ], + "MS$DATA_PROCESSING": [ + 42, + 43, + 44 + ], + "PK$SPLASH": [ + 45 + ], + "PK$ANNOTATION": [ + 46 + ], + "PK$NUM_PEAK": [ + 49 + ], + "PK$PEAK": [ + 50 + ] + }, + "source_headers": { + "ACCESSION": [ + "MSBNK-CASMI_2016-SM803002" + ], + "RECORD_TITLE": [ + "Benzo[a]acridine; LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M+H]+" + ], + "DATE": [ + "2016.12.12" + ], + "AUTHORS": [ + "Krauss M, Schymanski EL, Weidauer C, Schupke H, UFZ and Eawag" + ], + "LICENSE": [ + "CC BY" + ], + "COPYRIGHT": [ + "Copyright (C) 2016 UFZ/Eawag" + ], + "PUBLICATION": [ + "Schymanski, E. L.; Ruttkies, C.; Krauss, M.; Brouard, C.; Kind, T.; Dührkop, K.; Allen, F.; Vaniya, A.; Verdegem, D.; Böcker, S.; et al. Critical Assessment of Small Molecule Identification 2016: Automated Methods. Journal of Cheminformatics 2017, 9 (1). DOI:10.1186/s13321-017-0207-1" + ], + "COMMENT": [ + "CONFIDENCE standard compound", + "INTERNAL_ID 8030" + ], + "CH$NAME": [ + "Benzo[a]acridine", + "Benz[a]acridine" + ], + "CH$COMPOUND_CLASS": [ + "N/A; Environmental Standard" + ], + "CH$FORMULA": [ + "C17H11N" + ], + "CH$EXACT_MASS": [ + "229.08915" + ], + "CH$SMILES": [ + "C1=CC=C2C(C=CC3=NC4=CC=CC=C4C=C23)=C1" + ], + "CH$IUPAC": [ + "InChI=1S/C17H11N/c1-3-7-14-12(5-1)9-10-17-15(14)11-13-6-2-4-8-16(13)18-17/h1-11H" + ], + "CH$LINK": [ + "CAS 225-11-6", + "CHEBI CHEBI:82397", + "KEGG C19337", + "PUBCHEM CID:9180", + "INCHIKEY JEGZRTMZYUDVBF-UHFFFAOYSA-N", + "CHEMSPIDER 8825", + "COMPTOX DTXSID9075371", + "ChemOnt CHEMONTID:0001908; Organic compounds; Organoheterocyclic compounds; Quinolines and derivatives; Benzoquinolines" + ], + "AC$INSTRUMENT": [ + "Q Exactive Plus Orbitrap Thermo Scientific" + ], + "AC$INSTRUMENT_TYPE": [ + "LC-ESI-QFT" + ], + "AC$MASS_SPECTROMETRY": [ + "MS_TYPE MS2", + "ION_MODE POSITIVE", + "IONIZATION ESI", + "FRAGMENTATION_MODE HCD", + "COLLISION_ENERGY 35 (nominal)", + "RESOLUTION 35000" + ], + "AC$CHROMATOGRAPHY": [ + "COLUMN_NAME Kinetex C18 EVO 2.6 um, 2.1x50 mm, precolumn 2.1x5 mm, Phenomenex", + "FLOW_GRADIENT 95/5 at 0 min, 95/5 at 1 min, 0/100 at 13 min, 0/100 at 24 min", + "FLOW_RATE 300 uL/min", + "RETENTION_TIME 8.927 min", + "SOLVENT A water with 0.1% formic acid", + "SOLVENT B methanol with 0.1% formic acid" + ], + "MS$FOCUSED_ION": [ + "BASE_PEAK 230.0962", + "PRECURSOR_M/Z 230.0964", + "PRECURSOR_TYPE [M+H]+" + ], + "MS$DATA_PROCESSING": [ + "RECALIBRATE loess on assigned fragments and MS1", + "REANALYZE Peaks with additional N2/O included", + "WHOLE RMassBank 2.3.1" + ], + "PK$SPLASH": [ + "splash10-001i-0090000000-9fa2db898b790967c2b3" + ], + "PK$ANNOTATION": [ + "m/z tentative_formula formula_count mass error(ppm)" + ], + "PK$NUM_PEAK": [ + "2" + ], + "PK$PEAK": [ + "m/z int. rel.int." + ] + }, + "limitations": [ + "Source Q Exactive Plus differs from target Exploris120. Fixed MS2 spectrum transfer requires explicit host acceptance.", + "35000 source resolving power is not a selectable Exploris120 resolving-power setting; resampling does not create original resolution.", + "Polarity/adduct and reported nominal NCE are retained, but record35 versus paper stepped20/35/50 remains unresolved; even nominally matching NCE requires explicit source-condition transfer acceptance.", + "Source intensity is not concentration calibration, detector count, current or FT transient.", + "Precursor formula and mass reference are not a certified calibrant assignment; current mass-scale and response require explicit model observations.", + "All MS1 isotope probabilities are theoretical natural-isotope references; no actual ESI response or solvent-specific adduct equilibrium is claimed.", + "A single-peak MS2 record is a valid reference but does not establish a rich structural fragmentation pattern or unique molecular structure." + ] + }, + "sm803101": { + "substance_id": "sm803101", + "accession": "MSBNK-CASMI_2016-SM803101", + "name_en": "1-Naphthoic acid methyl ester", + "names": [ + "1-Naphthoic acid methyl ester" + ], + "formula": "C12H10O2", + "element_counts": { + "C": 12, + "H": 10, + "O": 2 + }, + "inchikey": "HMRROBKAACRWBP-UHFFFAOYSA-N", + "inchi": "InChI=1S/C12H10O2/c1-14-12(13)11-8-4-6-9-5-2-3-7-10(9)11/h2-8H,1H3", + "smiles": "COC(=O)C1=CC=CC2=CC=CC=C12", + "cas": "2459-24-7", + "pubchem_cid": "CID:120056", + "molar_mass_kg_mol": 0.1862070481500173, + "molar_mass_evidence": "derived approximate average from NIST representative isotope composition, not current specimen isotopic mass", + "source_neutral_exact_mass_u": 186.06808, + "neutral_exact_mass_u": 186.06807956144002, + "neutral_exact_mass_evidence": "derived from most abundant NIST isotope of each element, source rounded CH$EXACT_MASS retained separately", + "precursor_mz": 187.0754, + "precursor_mz_si_kg_c": 1.938899893691975e-06, + "precursor_mz_evidence": "reported precursor selection/reference setting, not independently available MS1 centroid data", + "derived_precursor_mz": 187.07535602801892, + "precursor_charge": 1, + "precursor_type": "[M+H]+", + "polarity": "positive", + "ionization": "ESI", + "fragmentation_mode": "HCD", + "instrument_type": "LC-ESI-QFT", + "instrument": "Q Exactive Plus Orbitrap Thermo Scientific", + "collision_energy": { + "value": 35.0, + "unit": "NCE", + "fraction": 0.35, + "raw": "35 (nominal)", + "unit_evidence": "RECORD_TITLE explicitly names NCE; no conversion to eV or V", + "paper_stepped_nce": [ + 20.0, + 35.0, + 50.0 + ], + "single_energy_verified": false, + "conflict": "Record labels35 NCE but cited paper Methods reports stepped20/35/50; cannot infer this is a pure35 spectrum." + }, + "source_resolution_200": 35000.0, + "source_resolution_evidence": "35000 nominal MS/MS resolving power at m/z200 documented in CASMI publication methods", + "conditions": { + "chromatography_raw": [ + "COLUMN_NAME Kinetex C18 EVO 2.6 um, 2.1x50 mm, precolumn 2.1x5 mm, Phenomenex", + "FLOW_GRADIENT 95/5 at 0 min, 95/5 at 1 min, 0/100 at 13 min, 0/100 at 24 min", + "FLOW_RATE 300 uL/min", + "RETENTION_TIME 10.987 min", + "SOLVENT A water with 0.1% formic acid", + "SOLVENT B methanol with 0.1% formic acid" + ], + "spectrometry_raw": [ + "MS_TYPE MS2", + "ION_MODE POSITIVE", + "IONIZATION ESI", + "FRAGMENTATION_MODE HCD", + "COLLISION_ENERGY 35 (nominal)", + "RESOLUTION 35000" + ], + "data_processing_raw": [ + "RECALIBRATE loess on assigned fragments and MS1", + "REANALYZE Peaks with additional N2/O included", + "WHOLE RMassBank 2.3.1" + ], + "confidence_raw": [ + "CONFIDENCE standard compound", + "INTERNAL_ID 8031" + ], + "sample_concentration_kg_m3": null, + "temperature_k": null, + "electronic_profile_available": false, + "measured_on_exploris120": false + }, + "record_kind": "measured_processed_ms2_reference", + "physical_input_eligible": true, + "mass_reference_eligible": true, + "concentration_calibration_eligible": 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LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M+H]+" + ], + "DATE": [ + "2016.12.12" + ], + "AUTHORS": [ + "Krauss M, Schymanski EL, Weidauer C, Schupke H, UFZ and Eawag" + ], + "LICENSE": [ + "CC BY" + ], + "COPYRIGHT": [ + "Copyright (C) 2016 UFZ/Eawag" + ], + "PUBLICATION": [ + "Schymanski, E. L.; Ruttkies, C.; Krauss, M.; Brouard, C.; Kind, T.; Dührkop, K.; Allen, F.; Vaniya, A.; Verdegem, D.; Böcker, S.; et al. Critical Assessment of Small Molecule Identification 2016: Automated Methods. Journal of Cheminformatics 2017, 9 (1). DOI:10.1186/s13321-017-0207-1" + ], + "COMMENT": [ + "CONFIDENCE standard compound", + "INTERNAL_ID 8031" + ], + "CH$NAME": [ + "1-Naphthoic acid methyl ester" + ], + "CH$COMPOUND_CLASS": [ + "N/A; Environmental Standard" + ], + "CH$FORMULA": [ + "C12H10O2" + ], + "CH$EXACT_MASS": [ + "186.06808" + ], + "CH$SMILES": [ + "COC(=O)C1=CC=CC2=CC=CC=C12" + ], + "CH$IUPAC": [ + "InChI=1S/C12H10O2/c1-14-12(13)11-8-4-6-9-5-2-3-7-10(9)11/h2-8H,1H3" + ], + "CH$LINK": [ + "CAS 2459-24-7", + "PUBCHEM CID:120056", + "INCHIKEY HMRROBKAACRWBP-UHFFFAOYSA-N", + "CHEMSPIDER 107179", + "COMPTOX DTXSID00182996", + "ChemOnt CHEMONTID:0001871; Organic compounds; Benzenoids; Naphthalenes; Naphthalenecarboxylic acids and derivatives" + ], + "AC$INSTRUMENT": [ + "Q Exactive Plus Orbitrap Thermo Scientific" + ], + "AC$INSTRUMENT_TYPE": [ + "LC-ESI-QFT" + ], + "AC$MASS_SPECTROMETRY": [ + "MS_TYPE MS2", + "ION_MODE POSITIVE", + "IONIZATION ESI", + "FRAGMENTATION_MODE HCD", + "COLLISION_ENERGY 35 (nominal)", + "RESOLUTION 35000" + ], + "AC$CHROMATOGRAPHY": [ + "COLUMN_NAME Kinetex C18 EVO 2.6 um, 2.1x50 mm, precolumn 2.1x5 mm, Phenomenex", + "FLOW_GRADIENT 95/5 at 0 min, 95/5 at 1 min, 0/100 at 13 min, 0/100 at 24 min", + "FLOW_RATE 300 uL/min", + "RETENTION_TIME 10.987 min", + "SOLVENT A water with 0.1% formic acid", + "SOLVENT B methanol with 0.1% formic acid" + ], + "MS$FOCUSED_ION": [ + "BASE_PEAK 187.0751", + "PRECURSOR_M/Z 187.0754", + "PRECURSOR_TYPE [M+H]+" + ], + "MS$DATA_PROCESSING": [ + "RECALIBRATE loess on assigned fragments and MS1", + "REANALYZE Peaks with additional N2/O included", + "WHOLE RMassBank 2.3.1" + ], + "PK$SPLASH": [ + "splash10-052u-0900000000-9e003898e2ed981feb90" + ], + "PK$ANNOTATION": [ + "m/z tentative_formula formula_count mass error(ppm)" + ], + "PK$NUM_PEAK": [ + "17" + ], + "PK$PEAK": [ + "m/z int. rel.int." + ] + }, + "limitations": [ + "Source Q Exactive Plus differs from target Exploris120. Fixed MS2 spectrum transfer requires explicit host acceptance.", + "35000 source resolving power is not a selectable Exploris120 resolving-power setting; resampling does not create original resolution.", + "Polarity/adduct and reported nominal NCE are retained, but record35 versus paper stepped20/35/50 remains unresolved; even nominally matching NCE requires explicit source-condition transfer acceptance.", + "Source intensity is not concentration calibration, detector count, current or FT transient.", + "Precursor formula and mass reference are not a certified calibrant assignment; current mass-scale and response require explicit model observations.", + "All MS1 isotope probabilities are theoretical natural-isotope references; no actual ESI response or solvent-specific adduct equilibrium is claimed.", + "A single-peak MS2 record is a valid reference but does not establish a rich structural fragmentation pattern or unique molecular structure." + ] + }, + "sm803501": { + "substance_id": "sm803501", + "accession": "MSBNK-CASMI_2016-SM803501", + "name_en": "3`-Aminoacetophenone", + "names": [ + "3`-Aminoacetophenone", + "1-(3-aminophenyl)ethanone" + ], + "formula": "C8H9NO", + "element_counts": { + "C": 8, + "H": 9, + "N": 1, + "O": 1 + }, + "inchikey": "CKQHAYFOPRIUOM-UHFFFAOYSA-N", + "inchi": "InChI=1S/C8H9NO/c1-6(10)7-3-2-4-8(9)5-7/h2-5H,9H2,1H3", + "smiles": "CC(=O)C1=CC(N)=CC=C1", + "cas": "99-03-6", + "pubchem_cid": "CID:7417", + "molar_mass_kg_mol": 0.13516346209614807, + "molar_mass_evidence": "derived approximate average from NIST representative isotope composition, not current specimen isotopic mass", + "source_neutral_exact_mass_u": 135.06841, + "neutral_exact_mass_u": 135.06841391407, + "neutral_exact_mass_evidence": "derived from most abundant NIST isotope of each element, source rounded CH$EXACT_MASS retained separately", + "precursor_mz": 136.0757, + "precursor_mz_si_kg_c": 1.4103252499476737e-06, + "precursor_mz_evidence": "reported precursor 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L.; Ruttkies, C.; Krauss, M.; Brouard, C.; Kind, T.; Dührkop, K.; Allen, F.; Vaniya, A.; Verdegem, D.; Böcker, S.; et al. Critical Assessment of Small Molecule Identification 2016: Automated Methods. Journal of Cheminformatics 2017, 9 (1). DOI:10.1186/s13321-017-0207-1" + ], + "COMMENT": [ + "CONFIDENCE standard compound", + "INTERNAL_ID 8035" + ], + "CH$NAME": [ + "3`-Aminoacetophenone", + "1-(3-aminophenyl)ethanone" + ], + "CH$COMPOUND_CLASS": [ + "N/A; Environmental Standard" + ], + "CH$FORMULA": [ + "C8H9NO" + ], + "CH$EXACT_MASS": [ + "135.06841" + ], + "CH$SMILES": [ + "CC(=O)C1=CC(N)=CC=C1" + ], + "CH$IUPAC": [ + "InChI=1S/C8H9NO/c1-6(10)7-3-2-4-8(9)5-7/h2-5H,9H2,1H3" + ], + "CH$LINK": [ + "CAS 99-03-6", + "PUBCHEM CID:7417", + "INCHIKEY CKQHAYFOPRIUOM-UHFFFAOYSA-N", + "CHEMSPIDER 21106518", + "COMPTOX DTXSID0021830", + "ChemOnt CHEMONTID:0001831; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbonyl compounds" + ], + "AC$INSTRUMENT": [ + "Q Exactive Plus Orbitrap Thermo Scientific" + ], + "AC$INSTRUMENT_TYPE": [ + "LC-ESI-QFT" + ], + "AC$MASS_SPECTROMETRY": [ + "MS_TYPE MS2", + "ION_MODE POSITIVE", + "IONIZATION ESI", + "FRAGMENTATION_MODE HCD", + "COLLISION_ENERGY 35 (nominal)", + "RESOLUTION 35000" + ], + "AC$CHROMATOGRAPHY": [ + "COLUMN_NAME Kinetex C18 EVO 2.6 um, 2.1x50 mm, precolumn 2.1x5 mm, Phenomenex", + "FLOW_GRADIENT 95/5 at 0 min, 95/5 at 1 min, 0/100 at 13 min, 0/100 at 24 min", + "FLOW_RATE 300 uL/min", + "RETENTION_TIME 0.894 min", + "SOLVENT A water with 0.1% formic acid", + "SOLVENT B methanol with 0.1% formic acid" + ], + "MS$FOCUSED_ION": [ + "BASE_PEAK 136.0754", + "PRECURSOR_M/Z 136.0757", + "PRECURSOR_TYPE [M+H]+" + ], + "MS$DATA_PROCESSING": [ + "RECALIBRATE loess on assigned fragments and MS1", + "REANALYZE Peaks with additional N2/O included", + "WHOLE RMassBank 2.3.1" + ], + "PK$SPLASH": [ + "splash10-000l-6900000000-31b17dd6ec6e56c98467" + ], + "PK$ANNOTATION": [ + "m/z tentative_formula formula_count mass error(ppm)" + ], + "PK$NUM_PEAK": [ + "10" + ], + "PK$PEAK": [ + "m/z int. rel.int." + ] + }, + "limitations": [ + "Source Q Exactive Plus differs from target Exploris120. Fixed MS2 spectrum transfer requires explicit host acceptance.", + "35000 source resolving power is not a selectable Exploris120 resolving-power setting; resampling does not create original resolution.", + "Polarity/adduct and reported nominal NCE are retained, but record35 versus paper stepped20/35/50 remains unresolved; even nominally matching NCE requires explicit source-condition transfer acceptance.", + "Source intensity is not concentration calibration, detector count, current or FT transient.", + "Precursor formula and mass reference are not a certified calibrant assignment; current mass-scale and response require explicit model observations.", + "All MS1 isotope probabilities are theoretical natural-isotope references; no actual ESI response or solvent-specific adduct equilibrium is claimed.", + "A single-peak MS2 record is a valid reference but does not establish a rich structural fragmentation pattern or unique molecular structure." + ] + }, + "sm804001": { + "substance_id": "sm804001", + "accession": "MSBNK-CASMI_2016-SM804001", + "name_en": "3-Methylpyrazole", + "names": [ + "3-Methylpyrazole", + "5-methyl-1H-pyrazole", + "3-Methyl-1H-pyrazole" + ], + "formula": "C4H6N2", + "element_counts": { + "C": 4, + "H": 6, + "N": 2 + }, + "inchikey": "XKVUYEYANWFIJX-UHFFFAOYSA-N", + "inchi": "InChI=1S/C4H6N2/c1-4-2-3-5-6-4/h2-3H,1H3,(H,5,6)", + "smiles": "CC1=NNC=C1", + "cas": "1453-58-3", + "pubchem_cid": "CID:15073", + "molar_mass_kg_mol": 0.08210399453416725, + "molar_mass_evidence": "derived approximate average from NIST representative isotope composition, not current specimen isotopic mass", + "source_neutral_exact_mass_u": 82.0531, + "neutral_exact_mass_u": 82.05309820224, + "neutral_exact_mass_evidence": "derived from most abundant NIST isotope of each element, source rounded CH$EXACT_MASS retained separately", + "precursor_mz": 83.0604, + "precursor_mz_si_kg_c": 8.608603842622435e-07, + "precursor_mz_evidence": "reported precursor selection/reference setting, not independently available MS1 centroid data", + "derived_precursor_mz": 83.0603746688189, + "precursor_charge": 1, + "precursor_type": "[M+H]+", + "polarity": "positive", + "ionization": "ESI", + "fragmentation_mode": "HCD", + "instrument_type": "LC-ESI-QFT", + "instrument": "Q Exactive Plus Orbitrap Thermo Scientific", + "collision_energy": { + "value": 35.0, + "unit": "NCE", + "fraction": 0.35, + "raw": "35 (nominal)", + "unit_evidence": "RECORD_TITLE explicitly names NCE; no conversion to eV or V", + "paper_stepped_nce": [ + 20.0, + 35.0, + 50.0 + ], + "single_energy_verified": false, + "conflict": "Record labels35 NCE but cited paper Methods reports stepped20/35/50; cannot infer this is a pure35 spectrum." + }, + "source_resolution_200": 35000.0, + "source_resolution_evidence": "35000 nominal MS/MS resolving power at m/z200 documented in CASMI publication methods", + "conditions": { + "chromatography_raw": [ + "COLUMN_NAME Kinetex C18 EVO 2.6 um, 2.1x50 mm, precolumn 2.1x5 mm, Phenomenex", + "FLOW_GRADIENT 95/5 at 0 min, 95/5 at 1 min, 0/100 at 13 min, 0/100 at 24 min", + "FLOW_RATE 300 uL/min", + "RETENTION_TIME 0.630 min", + "SOLVENT A water with 0.1% formic acid", + "SOLVENT B methanol with 0.1% formic acid" + ], + "spectrometry_raw": [ + "MS_TYPE MS2", + "ION_MODE POSITIVE", + "IONIZATION ESI", + "FRAGMENTATION_MODE HCD", + "COLLISION_ENERGY 35 (nominal)", + "RESOLUTION 35000" + ], + "data_processing_raw": [ + "RECALIBRATE loess on assigned fragments and MS1", + "REANALYZE Peaks with additional N2/O included", + "WHOLE RMassBank 2.3.1" + ], + "confidence_raw": [ + "CONFIDENCE standard compound", + "INTERNAL_ID 8040" + ], + "sample_concentration_kg_m3": null, + "temperature_k": null, + "electronic_profile_available": false, + "measured_on_exploris120": false + }, + "record_kind": "measured_processed_ms2_reference", + "physical_input_eligible": true, + "mass_reference_eligible": true, + "concentration_calibration_eligible": false, + "ms1_measured": null, + "single_peak_only": false, + "derived_ms1": { + "mass_to_charge_relative": [ + 83.0603746665789, + 84.05740956157891, + 84.0637295015789, + 84.0666514125789, + 85.0544444565789, + 85.0607643965789, + 85.0636863075789, + 85.0670843365789, + 85.0700062475789, + 85.0729281585789, + 86.0577992915789, + 86.0607212025789, + 86.0641192315789, + 86.0670411425789, + 86.0699630535789, + 86.0704391715789, + 86.0733610825789, + 86.0762829935789, + 87.0611541265789, + 87.0640760375789, + 87.0674740665789, + 87.0703959775789, + 87.07379400657891, + 87.0767159175789 + ], + "mass_to_charge_si_kg_c": [ + 8.608601216998355e-07, + 8.71193660219185e-07, + 8.712591617816253e-07, + 8.712894452551728e-07, + 8.815271987385343e-07, + 8.815927003009745e-07, + 8.81622983774522e-07, + 8.816582018634148e-07, + 8.816884853369622e-07, + 8.817187688105097e-07, + 8.919262388203239e-07, + 8.919565222938713e-07, + 8.919917403827641e-07, + 8.920220238563116e-07, + 8.920523073298591e-07, + 8.920572419452045e-07, + 8.920875254187519e-07, + 8.921178088922994e-07, + 9.023252789021135e-07, + 9.02355562375661e-07, + 9.023907804645538e-07, + 9.024210639381013e-07, + 9.024562820269942e-07, + 9.024865655005414e-07 + ], + "probability": [ + 0.9502654160141681, + 0.006943205496590735, + 0.041111250182357645, + 0.0006557585492829437, + 1.2682799393587797e-05, + 0.0003003832965269216, + 4.791362799369535e-06, + 0.0006669721676203781, + 2.837002517872232e-05, + 1.885522664294857e-07, + 5.486948489290993e-07, + 8.752138077454488e-09, + 4.873296178365603e-06, + 2.0728831275954325e-07, + 1.3776752374710504e-09, + 4.809193162531113e-06, + 4.602637259865493e-07, + 8.157320330720702e-09, + 8.901801602458347e-09, + 3.786429897048945e-10, + 3.5138831570141824e-08, + 3.36296110359918e-09, + 1.3003731638300546e-08, + 3.3187249355140523e-09 + ], + "relative_intensity": [ + 1.0, + 0.0073065960094744874, + 0.043262913170928965, + 0.0006900793591262997, + 1.3346586311417125e-05, + 0.00031610462873295073, + 5.042131091612932e-06, + 0.0007018798710132515, + 2.9854843394931394e-05, + 1.9842063412173515e-07, + 5.774122047191481e-07, + 9.210203728306574e-09, + 5.128352664675891e-06, + 2.181372796128915e-07, + 1.4497794134712672e-09, + 5.0608946526781835e-06, + 4.843528115724743e-07, + 8.58425466532929e-09, + 9.36770027872468e-09, + 3.984602441842933e-10, + 3.697791267362919e-08, + 3.5389703202131893e-09, + 1.368431537037718e-08, + 3.4924189385258774e-09 + ], + "retained_probability": 0.9999999995742409, + "excluded_probability": 4.257590946465939e-10, + "evidence": "derived", + "source": [ + "nist_isotopes", + "codata2022_u", + "codata2022_e", + "codata2022_me", + "codata2022_mp" + ], + "unit": "1", + "method": "Independent natural elemental abundances normalized per element; atomic masses each rounded once to 1e-9 u and exactly summed as integer nano-u during atom convolution; prune probability<1e-10 and cap4096 states after each atom. No renormalization of retained probabilities. Positive neutral molecule adds fixed CODATA proton; negative molecule loses one natural H atom and gains CODATA electron. Electron/proton binding-energy conventions are molecular mass approximations, not measured MS1 or isotope response.", + "physical_scope": "Derived isotope-composition probabilities, not response/ionization efficiency; instrument-resolved profile is synthetic." + }, + "ms2": { + "mass_to_charge_relative": [ + 56.0496, + 66.0339, + 83.0603 + ], + "mass_to_charge_si_kg_c": [ + 5.809131691364963e-07, + 6.8439314677433e-07, + 8.608593478352767e-07 + ], + "raw_intensity": [ + 4953124.0, + 492171.1, + 408783104.0 + ], + "raw_intensity_unit": "unspecified instrument intensity, not counts/A/C", + "published_relative_intensity": [ + 12, + 1, + 999 + ], + "relative_intensity": [ + 0.01211675324036876, + 0.0012039908087786329, + 1.0 + ], + "normalization": "all original raw-intensity values divided by their original maximum; full spectrum retained, no mass-domain renormalization", + "relative_intensity_unit": "1", + "evidence": "measured_literature", + "source": "massbank_sm804001", + "annotations_raw": [ + { + "line": 46, + "raw": " 56.0496 C3H6N+ 1 56.0495 2.43" + }, + { + "line": 47, + "raw": " 66.0339 C4H4N+ 1 66.0338 0.95" + }, + { + "line": 48, + "raw": " 83.0603 C4H7N2+ 1 83.0604 -1.16" + } + ], + "source_peak_count": 3, + "original_acquisition_type": "processed centroid peak table, loess recalibrated by RMassBank; not unprocessed detector electronics" + }, + "range_40_3000": { + "original_indices": [ + 0, + 1, + 2 + ], + "retained_raw_intensity_fraction": 1.0, + "meaning": "Fraction of sums of reported intensities, not analyte yield/ion count/charge/mass" + }, + "source": "massbank_sm804001", + "evidence": "measured_literature", + "source_field_lines": { + "ACCESSION": [ + 1 + ], + "RECORD_TITLE": [ + 2 + ], + "DATE": [ + 3 + ], + "AUTHORS": [ + 4 + ], + "LICENSE": [ + 5 + ], + "COPYRIGHT": [ + 6 + ], + "PUBLICATION": [ + 7 + ], + "COMMENT": [ + 8, + 9 + ], + "CH$NAME": [ + 10, + 11, + 12 + ], + "CH$COMPOUND_CLASS": [ + 13 + ], + "CH$FORMULA": [ + 14 + ], + "CH$EXACT_MASS": [ + 15 + ], + "CH$SMILES": [ + 16 + ], + "CH$IUPAC": [ + 17 + ], + "CH$LINK": [ + 18, + 19, + 20, + 21, + 22, + 23 + ], + "AC$INSTRUMENT": [ + 24 + ], + "AC$INSTRUMENT_TYPE": [ + 25 + ], + "AC$MASS_SPECTROMETRY": [ + 26, + 27, + 28, + 29, + 30, + 31 + ], + "AC$CHROMATOGRAPHY": [ + 32, + 33, + 34, + 35, + 36, + 37 + ], + "MS$FOCUSED_ION": [ + 38, + 39, + 40 + ], + "MS$DATA_PROCESSING": [ + 41, + 42, + 43 + ], + "PK$SPLASH": [ + 44 + ], + "PK$ANNOTATION": [ + 45 + ], + "PK$NUM_PEAK": [ + 49 + ], + "PK$PEAK": [ + 50 + ] + }, + "source_headers": { + "ACCESSION": [ + "MSBNK-CASMI_2016-SM804001" + ], + "RECORD_TITLE": [ + "3-Methylpyrazole; LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M+H]+" + ], + "DATE": [ + "2016.12.12" + ], + "AUTHORS": [ + "Krauss M, Schymanski EL, Weidauer C, Schupke H, UFZ and Eawag" + ], + "LICENSE": [ + "CC BY" + ], + "COPYRIGHT": [ + "Copyright (C) 2016 UFZ/Eawag" + ], + "PUBLICATION": [ + "Schymanski, E. L.; Ruttkies, C.; Krauss, M.; Brouard, C.; Kind, T.; Dührkop, K.; Allen, F.; Vaniya, A.; Verdegem, D.; Böcker, S.; et al. Critical Assessment of Small Molecule Identification 2016: Automated Methods. Journal of Cheminformatics 2017, 9 (1). DOI:10.1186/s13321-017-0207-1" + ], + "COMMENT": [ + "CONFIDENCE standard compound", + "INTERNAL_ID 8040" + ], + "CH$NAME": [ + "3-Methylpyrazole", + "5-methyl-1H-pyrazole", + "3-Methyl-1H-pyrazole" + ], + "CH$COMPOUND_CLASS": [ + "N/A; Environmental Standard" + ], + "CH$FORMULA": [ + "C4H6N2" + ], + "CH$EXACT_MASS": [ + "82.05310" + ], + "CH$SMILES": [ + "CC1=NNC=C1" + ], + "CH$IUPAC": [ + "InChI=1S/C4H6N2/c1-4-2-3-5-6-4/h2-3H,1H3,(H,5,6)" + ], + "CH$LINK": [ + "CAS 1453-58-3", + "PUBCHEM CID:15073", + "INCHIKEY XKVUYEYANWFIJX-UHFFFAOYSA-N", + "CHEMSPIDER 14345", + "COMPTOX DTXSID3073260", + "ChemOnt CHEMONTID:0000087; Organic compounds; Organoheterocyclic compounds; Azoles; Pyrazoles" + ], + "AC$INSTRUMENT": [ + "Q Exactive Plus Orbitrap Thermo Scientific" + ], + "AC$INSTRUMENT_TYPE": [ + "LC-ESI-QFT" + ], + "AC$MASS_SPECTROMETRY": [ + "MS_TYPE MS2", + "ION_MODE POSITIVE", + "IONIZATION ESI", + "FRAGMENTATION_MODE HCD", + "COLLISION_ENERGY 35 (nominal)", + "RESOLUTION 35000" + ], + "AC$CHROMATOGRAPHY": [ + "COLUMN_NAME Kinetex C18 EVO 2.6 um, 2.1x50 mm, precolumn 2.1x5 mm, Phenomenex", + "FLOW_GRADIENT 95/5 at 0 min, 95/5 at 1 min, 0/100 at 13 min, 0/100 at 24 min", + "FLOW_RATE 300 uL/min", + "RETENTION_TIME 0.630 min", + "SOLVENT A water with 0.1% formic acid", + "SOLVENT B methanol with 0.1% formic acid" + ], + "MS$FOCUSED_ION": [ + "BASE_PEAK 83.0602", + "PRECURSOR_M/Z 83.0604", + "PRECURSOR_TYPE [M+H]+" + ], + "MS$DATA_PROCESSING": [ + "RECALIBRATE loess on assigned fragments and MS1", + "REANALYZE Peaks with additional N2/O included", + "WHOLE RMassBank 2.3.1" + ], + "PK$SPLASH": [ + "splash10-001i-9000000000-cc14837208ba5fdaf935" + ], + "PK$ANNOTATION": [ + "m/z tentative_formula formula_count mass error(ppm)" + ], + "PK$NUM_PEAK": [ + "3" + ], + "PK$PEAK": [ + "m/z int. rel.int." + ] + }, + "limitations": [ + "Source Q Exactive Plus differs from target Exploris120. Fixed MS2 spectrum transfer requires explicit host acceptance.", + "35000 source resolving power is not a selectable Exploris120 resolving-power setting; resampling does not create original resolution.", + "Polarity/adduct and reported nominal NCE are retained, but record35 versus paper stepped20/35/50 remains unresolved; even nominally matching NCE requires explicit source-condition transfer acceptance.", + "Source intensity is not concentration calibration, detector count, current or FT transient.", + "Precursor formula and mass reference are not a certified calibrant assignment; current mass-scale and response require explicit model observations.", + "All MS1 isotope probabilities are theoretical natural-isotope references; no actual ESI response or solvent-specific adduct equilibrium is claimed.", + "A single-peak MS2 record is a valid reference but does not establish a rich structural fragmentation pattern or unique molecular structure." + ] + }, + "sm804205": { + "substance_id": "sm804205", + "accession": "MSBNK-CASMI_2016-SM804205", + "name_en": "3-Methylpyridazine", + "names": [ + "3-Methylpyridazine", + "3-methylpyridazine" + ], + "formula": "C5H6N2", + "element_counts": { + "C": 5, + "H": 6, + "N": 2 + }, + "inchikey": "MXDRPNGTQDRKQM-UHFFFAOYSA-N", + "inchi": "InChI=1S/C5H6N2/c1-5-3-2-4-6-7-5/h2-4H,1H3", + "smiles": "CC1=CC=CN=N1", + "cas": "1632-76-4", + "pubchem_cid": "CID:74208", + "molar_mass_kg_mol": 0.0941147304309025, + "molar_mass_evidence": "derived approximate average from NIST representative isotope composition, not current specimen isotopic mass", + "source_neutral_exact_mass_u": 94.0531, + "neutral_exact_mass_u": 94.05309820224, + "neutral_exact_mass_evidence": "derived from most abundant NIST isotope of each element, source rounded CH$EXACT_MASS retained separately", + "precursor_mz": 95.0604, + "precursor_mz_si_kg_c": 9.852316202681732e-07, + "precursor_mz_evidence": "reported precursor selection/reference setting, not independently available MS1 centroid data", + "derived_precursor_mz": 95.0603746688189, + "precursor_charge": 1, + "precursor_type": "[M+H]+", + "polarity": "positive", + "ionization": "ESI", + "fragmentation_mode": "HCD", + "instrument_type": "LC-ESI-QFT", + "instrument": "Q Exactive Plus Orbitrap Thermo Scientific", + "collision_energy": { + "value": 35.0, + "unit": "NCE", + "fraction": 0.35, + "raw": "35 (nominal)", + "unit_evidence": "RECORD_TITLE explicitly names NCE; no conversion to eV or V", + "paper_stepped_nce": [ + 20.0, + 35.0, + 50.0 + ], + "single_energy_verified": false, + "conflict": "Record labels35 NCE but cited paper Methods reports stepped20/35/50; cannot infer this is a pure35 spectrum." + }, + "source_resolution_200": 35000.0, + "source_resolution_evidence": "35000 nominal MS/MS resolving power at m/z200 documented in CASMI publication methods", + "conditions": { + "chromatography_raw": [ + "COLUMN_NAME Kinetex C18 EVO 2.6 um, 2.1x50 mm, precolumn 2.1x5 mm, Phenomenex", + "FLOW_GRADIENT 95/5 at 0 min, 95/5 at 1 min, 0/100 at 13 min, 0/100 at 24 min", + "FLOW_RATE 300 uL/min", + "RETENTION_TIME 0.555 min", + "SOLVENT A water with 0.1% formic acid", + "SOLVENT B methanol with 0.1% formic acid" + ], + "spectrometry_raw": [ + "MS_TYPE MS2", + "ION_MODE POSITIVE", + "IONIZATION ESI", + "FRAGMENTATION_MODE HCD", + "COLLISION_ENERGY 35 (nominal)", + "RESOLUTION 35000" + ], + "data_processing_raw": [ + "RECALIBRATE loess on assigned fragments and MS1", + "REANALYZE Peaks with additional N2/O included", + "WHOLE RMassBank 2.3.1" + ], + "confidence_raw": [ + "CONFIDENCE standard compound", + "INTERNAL_ID 8042" + ], + "sample_concentration_kg_m3": null, + "temperature_k": null, + "electronic_profile_available": false, + "measured_on_exploris120": false + }, + "record_kind": "measured_processed_ms2_reference", + "physical_input_eligible": true, + "mass_reference_eligible": true, + "concentration_calibration_eligible": false, + "ms1_measured": null, + "single_peak_only": false, + "derived_ms1": { + "mass_to_charge_relative": [ + 95.0603746665789, + 96.05740956157891, + 96.0637295015789, + 96.0666514125789, + 97.0544444565789, + 97.0607643965789, + 97.0636863075789, + 97.0670843365789, + 97.0700062475789, + 97.0729281585789, + 98.0577992915789, + 98.0607212025789, + 98.0641192315789, + 98.0670411425789, + 98.0699630535789, + 98.0704391715789, + 98.0733610825789, + 98.0762829935789, + 99.0611541265789, + 99.0640760375789, + 99.0674740665789, + 99.0703959775789, + 99.07379400657891, + 99.0767159175789, + 100.0645089615789, + 100.0708289015789, + 100.0771488415789 + ], + "mass_to_charge_si_kg_c": [ + 9.852313577057653e-07, + 9.955648962251147e-07, + 9.956303977875548e-07, + 9.956606812611024e-07, + 1.005898434744464e-06, + 1.0059639363069042e-06, + 1.0059942197804516e-06, + 1.0060294378693446e-06, + 1.006059721342892e-06, + 1.0060900048164393e-06, + 1.0162974748262536e-06, + 1.016327758299801e-06, + 1.0163629763886938e-06, + 1.0163932598622413e-06, + 1.0164235433357887e-06, + 1.016428477951134e-06, + 1.0164587614246817e-06, + 1.016489044898229e-06, + 1.0266965149080432e-06, + 1.0267267983815907e-06, + 1.0267620164704833e-06, + 1.026792299944031e-06, + 1.0268275180329239e-06, + 1.026857801506471e-06, + 1.0370955549898327e-06, + 1.037161056552273e-06, + 1.0372265581147134e-06 + ], + "probability": [ + 0.9400975760628166, + 0.006868913197777214, + 0.050839199756758005, + 0.0006487419328056162, + 1.2547093440076406e-05, + 0.00037146149406760433, + 4.740095217416281e-06, + 0.0010997259423780666, + 3.5083082386637486e-05, + 1.8653475717869016e-07, + 6.785297675569472e-07, + 8.658490200025723e-09, + 8.03525318209515e-06, + 2.563379097662701e-07, + 1.3629341124301099e-09, + 1.1894336989230076e-05, + 7.58898173530822e-07, + 1.0087546253977487e-08, + 1.4677587208853398e-08, + 4.682393871438151e-10, + 8.690711518085325e-08, + 5.54496236631778e-09, + 6.432295854885365e-08, + 8.20803644676013e-09, + 1.587487952438405e-10, + 4.699818722506469e-10, + 1.391399285298158e-10 + ], + "relative_intensity": [ + 1.0, + 0.007306596009474487, + 0.05407864146366118, + 0.0006900793591262996, + 1.3346586311417123e-05, + 0.0003951307859161883, + 5.0421310916129315e-06, + 0.0011697997850220855, + 3.731855424366423e-05, + 1.984206341217351e-07, + 7.217652558989348e-07, + 9.21020372830657e-09, + 8.547254441126483e-06, + 2.7267159951611427e-07, + 1.4497794134712667e-09, + 1.2652236631695458e-05, + 8.072546859541238e-07, + 1.0730318331661611e-08, + 1.561283379787446e-08, + 4.980753052303666e-10, + 9.244478168407296e-08, + 5.89828386702198e-09, + 6.842157685188589e-08, + 8.731047346314692e-09, + 1.688641682373969e-10, + 4.999288203879414e-10, + 1.48005836918059e-10 + ], + "retained_probability": 0.999999999554167, + "excluded_probability": 4.4583303715484135e-10, + "evidence": "derived", + "source": [ + "nist_isotopes", + "codata2022_u", + "codata2022_e", + "codata2022_me", + "codata2022_mp" + ], + "unit": "1", + "method": "Independent natural elemental abundances normalized per element; atomic masses each rounded once to 1e-9 u and exactly summed as integer nano-u during atom convolution; prune probability<1e-10 and cap4096 states after each atom. No renormalization of retained probabilities. Positive neutral molecule adds fixed CODATA proton; negative molecule loses one natural H atom and gains CODATA electron. Electron/proton binding-energy conventions are molecular mass approximations, not measured MS1 or isotope response.", + "physical_scope": "Derived isotope-composition probabilities, not response/ionization efficiency; instrument-resolved profile is synthetic." + }, + "ms2": { + "mass_to_charge_relative": [ + 65.0386, + 67.0417, + 67.0543, + 68.0495, + 78.0339, + 95.0603 + ], + "mass_to_charge_si_kg_c": [ + 6.740775891746049e-07, + 6.948382577448946e-07, + 6.949688475427008e-07, + 7.052833687154593e-07, + 8.087643827802597e-07, + 9.852305838412064e-07 + ], + "raw_intensity": [ + 506403.7, + 1475324.0, + 401974.6, + 3848936.2, + 579809.8, + 216129056.0 + ], + "raw_intensity_unit": "unspecified instrument intensity, not counts/A/C", + "published_relative_intensity": [ + 2, + 6, + 1, + 17, + 2, + 999 + ], + "relative_intensity": [ + 0.0023430616381353185, + 0.006826125220294304, + 0.0018598822733024846, + 0.01780850881984142, + 0.002682701765004702, + 1.0 + ], + "normalization": "all original raw-intensity values divided by their original maximum; full spectrum retained, no mass-domain renormalization", + "relative_intensity_unit": "1", + "evidence": "measured_literature", + "source": "massbank_sm804205", + "annotations_raw": [ + { + "line": 45, + "raw": " 65.0386 C5H5+ 1 65.0386 0.86" + }, + { + "line": 46, + "raw": " 67.0417 C4H5N+ 1 67.0417 1" + }, + { + "line": 47, + "raw": " 67.0543 C5H7+ 1 67.0542 1.18" + }, + { + "line": 48, + "raw": " 68.0495 C4H6N+ 1 68.0495 0.71" + }, + { + "line": 49, + "raw": " 78.0339 C5H4N+ 1 78.0338 0.65" + }, + { + "line": 50, + "raw": " 95.0603 C5H7N2+ 1 95.0604 -0.64" + } + ], + "source_peak_count": 6, + "original_acquisition_type": "processed centroid peak table, loess recalibrated by RMassBank; not unprocessed detector electronics" + }, + "range_40_3000": { + "original_indices": [ + 0, + 1, + 2, + 3, + 4, + 5 + ], + "retained_raw_intensity_fraction": 1.0, + "meaning": "Fraction of sums of reported intensities, not analyte yield/ion count/charge/mass" + }, + "source": "massbank_sm804205", + "evidence": "measured_literature", + "source_field_lines": { + "ACCESSION": [ + 1 + ], + "RECORD_TITLE": [ + 2 + ], + "DATE": [ + 3 + ], + "AUTHORS": [ + 4 + ], + "LICENSE": [ + 5 + ], + "COPYRIGHT": [ + 6 + ], + "PUBLICATION": [ + 7 + ], + "COMMENT": [ + 8, + 9 + ], + "CH$NAME": [ + 10, + 11 + ], + "CH$COMPOUND_CLASS": [ + 12 + ], + "CH$FORMULA": [ + 13 + ], + "CH$EXACT_MASS": [ + 14 + ], + "CH$SMILES": [ + 15 + ], + "CH$IUPAC": [ + 16 + ], + "CH$LINK": [ + 17, + 18, + 19, + 20, + 21, + 22 + ], + "AC$INSTRUMENT": [ + 23 + ], + "AC$INSTRUMENT_TYPE": [ + 24 + ], + "AC$MASS_SPECTROMETRY": [ + 25, + 26, + 27, + 28, + 29, + 30 + ], + "AC$CHROMATOGRAPHY": [ + 31, + 32, + 33, + 34, + 35, + 36 + ], + "MS$FOCUSED_ION": [ + 37, + 38, + 39 + ], + "MS$DATA_PROCESSING": [ + 40, + 41, + 42 + ], + "PK$SPLASH": [ + 43 + ], + "PK$ANNOTATION": [ + 44 + ], + "PK$NUM_PEAK": [ + 51 + ], + "PK$PEAK": [ + 52 + ] + }, + "source_headers": { + "ACCESSION": [ + "MSBNK-CASMI_2016-SM804205" + ], + "RECORD_TITLE": [ + "3-Methylpyridazine; LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M+H]+" + ], + "DATE": [ + "2016.12.12" + ], + "AUTHORS": [ + "Krauss M, Schymanski EL, Weidauer C, Schupke H, UFZ and Eawag" + ], + "LICENSE": [ + "CC BY" + ], + "COPYRIGHT": [ + "Copyright (C) 2016 UFZ/Eawag" + ], + "PUBLICATION": [ + "Schymanski, E. L.; Ruttkies, C.; Krauss, M.; Brouard, C.; Kind, T.; Dührkop, K.; Allen, F.; Vaniya, A.; Verdegem, D.; Böcker, S.; et al. Critical Assessment of Small Molecule Identification 2016: Automated Methods. Journal of Cheminformatics 2017, 9 (1). DOI:10.1186/s13321-017-0207-1" + ], + "COMMENT": [ + "CONFIDENCE standard compound", + "INTERNAL_ID 8042" + ], + "CH$NAME": [ + "3-Methylpyridazine", + "3-methylpyridazine" + ], + "CH$COMPOUND_CLASS": [ + "N/A; Environmental Standard" + ], + "CH$FORMULA": [ + "C5H6N2" + ], + "CH$EXACT_MASS": [ + "94.05310" + ], + "CH$SMILES": [ + "CC1=CC=CN=N1" + ], + "CH$IUPAC": [ + "InChI=1S/C5H6N2/c1-5-3-2-4-6-7-5/h2-4H,1H3" + ], + "CH$LINK": [ + "CAS 1632-76-4", + "PUBCHEM CID:74208", + "INCHIKEY MXDRPNGTQDRKQM-UHFFFAOYSA-N", + "CHEMSPIDER 66816", + "COMPTOX DTXSID80167529", + "ChemOnt CHEMONTID:0000074; Organic compounds; Organoheterocyclic compounds; Diazines; Pyridazines and derivatives" + ], + "AC$INSTRUMENT": [ + "Q Exactive Plus Orbitrap Thermo Scientific" + ], + "AC$INSTRUMENT_TYPE": [ + "LC-ESI-QFT" + ], + "AC$MASS_SPECTROMETRY": [ + "MS_TYPE MS2", + "ION_MODE POSITIVE", + "IONIZATION ESI", + "FRAGMENTATION_MODE HCD", + "COLLISION_ENERGY 35 (nominal)", + "RESOLUTION 35000" + ], + "AC$CHROMATOGRAPHY": [ + "COLUMN_NAME Kinetex C18 EVO 2.6 um, 2.1x50 mm, precolumn 2.1x5 mm, Phenomenex", + "FLOW_GRADIENT 95/5 at 0 min, 95/5 at 1 min, 0/100 at 13 min, 0/100 at 24 min", + "FLOW_RATE 300 uL/min", + "RETENTION_TIME 0.555 min", + "SOLVENT A water with 0.1% formic acid", + "SOLVENT B methanol with 0.1% formic acid" + ], + "MS$FOCUSED_ION": [ + "BASE_PEAK 95.0602", + "PRECURSOR_M/Z 95.0604", + "PRECURSOR_TYPE [M+H]+" + ], + "MS$DATA_PROCESSING": [ + "RECALIBRATE loess on assigned fragments and MS1", + "REANALYZE Peaks with additional N2/O included", + "WHOLE RMassBank 2.3.1" + ], + "PK$SPLASH": [ + "splash10-0002-9000000000-e9554e3841330960d19f" + ], + "PK$ANNOTATION": [ + "m/z tentative_formula formula_count mass error(ppm)" + ], + "PK$NUM_PEAK": [ + "6" + ], + "PK$PEAK": [ + "m/z int. rel.int." + ] + }, + "limitations": [ + "Source Q Exactive Plus differs from target Exploris120. Fixed MS2 spectrum transfer requires explicit host acceptance.", + "35000 source resolving power is not a selectable Exploris120 resolving-power setting; resampling does not create original resolution.", + "Polarity/adduct and reported nominal NCE are retained, but record35 versus paper stepped20/35/50 remains unresolved; even nominally matching NCE requires explicit source-condition transfer acceptance.", + "Source intensity is not concentration calibration, detector count, current or FT transient.", + "Precursor formula and mass reference are not a certified calibrant assignment; current mass-scale and response require explicit model observations.", + "All MS1 isotope probabilities are theoretical natural-isotope references; no actual ESI response or solvent-specific adduct equilibrium is claimed.", + "A single-peak MS2 record is a valid reference but does not establish a rich structural fragmentation pattern or unique molecular structure." + ] + }, + "sm804503": { + "substance_id": "sm804503", + "accession": "MSBNK-CASMI_2016-SM804503", + "name_en": "3-Pyridinol", + "names": [ + "3-Pyridinol", + "3-Hydroxypyridine", + "pyridin-3-ol" + ], + "formula": "C5H5NO", + "element_counts": { + "C": 5, + "H": 5, + "N": 1, + "O": 1 + }, + "inchikey": "GRFNBEZIAWKNCO-UHFFFAOYSA-N", + "inchi": "InChI=1S/C5H5NO/c7-5-2-1-3-6-4-5/h1-4,7H", + "smiles": "OC1=CC=CN=C1", + "cas": "109-00-2", + "pubchem_cid": "CID:7971", + "molar_mass_kg_mol": 0.09509949138971921, + "molar_mass_evidence": "derived approximate average from NIST representative isotope composition, not current specimen isotopic mass", + "source_neutral_exact_mass_u": 95.03711, + "neutral_exact_mass_u": 95.03711378515, + "neutral_exact_mass_evidence": "derived from most abundant NIST isotope of each element, source rounded CH$EXACT_MASS retained separately", + "precursor_mz": 96.0444, + "precursor_mz_si_kg_c": 9.954300616206593e-07, + "precursor_mz_evidence": "reported precursor selection/reference setting, not 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No renormalization of retained probabilities. Positive neutral molecule adds fixed CODATA proton; negative molecule loses one natural H atom and gains CODATA electron. Electron/proton binding-energy conventions are molecular mass approximations, not measured MS1 or isotope response.", + "physical_scope": "Derived isotope-composition probabilities, not response/ionization efficiency; instrument-resolved profile is synthetic." + }, + "ms2": { + "mass_to_charge_relative": [ + 67.0417, + 68.0495, + 78.0338, + 96.0444 + ], + "mass_to_charge_si_kg_c": [ + 6.948382577448946e-07, + 7.052833687154593e-07, + 8.087633463532929e-07, + 9.954300616206593e-07 + ], + "raw_intensity": [ + 21885.4, + 254000.6, + 16847.9, + 11034976.0 + ], + "raw_intensity_unit": "unspecified instrument intensity, not counts/A/C", + "published_relative_intensity": [ + 1, + 22, + 1, + 999 + ], + "relative_intensity": [ + 0.001983275722575201, + 0.023017775480436025, + 0.0015267726907607232, + 1.0 + ], + "normalization": "all original raw-intensity values divided by their original maximum; full spectrum retained, no mass-domain renormalization", + "relative_intensity_unit": "1", + "evidence": "measured_literature", + "source": "massbank_sm804503", + "annotations_raw": [ + { + "line": 47, + "raw": " 67.0417 C4H5N+ 1 67.0417 0.54" + }, + { + "line": 48, + "raw": " 68.0495 C4H6N+ 1 68.0495 0.82" + }, + { + "line": 49, + "raw": " 78.0338 C5H4N+ 1 78.0338 -0.71" + }, + { + "line": 50, + "raw": " 96.0444 C5H6NO+ 1 96.0444 0.14" + } + ], + "source_peak_count": 4, + "original_acquisition_type": "processed centroid peak table, loess recalibrated by RMassBank; not unprocessed detector electronics" + }, + "range_40_3000": { + "original_indices": [ + 0, + 1, + 2, + 3 + ], + "retained_raw_intensity_fraction": 1.0, + "meaning": "Fraction of sums of reported intensities, not analyte yield/ion count/charge/mass" + }, + "source": "massbank_sm804503", + "evidence": "measured_literature", + "source_field_lines": { + "ACCESSION": [ + 1 + ], + "RECORD_TITLE": [ + 2 + ], + "DATE": [ + 3 + ], + "AUTHORS": [ + 4 + ], + "LICENSE": [ + 5 + ], + "COPYRIGHT": [ + 6 + ], + "PUBLICATION": [ + 7 + ], + "COMMENT": [ + 8, + 9 + ], + "CH$NAME": [ + 10, + 11, + 12 + ], + "CH$COMPOUND_CLASS": [ + 13 + ], + "CH$FORMULA": [ + 14 + ], + "CH$EXACT_MASS": [ + 15 + ], + "CH$SMILES": [ + 16 + ], + "CH$IUPAC": [ + 17 + ], + "CH$LINK": [ + 18, + 19, + 20, + 21, + 22, + 23, + 24 + ], + "AC$INSTRUMENT": [ + 25 + ], + "AC$INSTRUMENT_TYPE": [ + 26 + ], + "AC$MASS_SPECTROMETRY": [ + 27, + 28, + 29, + 30, + 31, + 32 + ], + "AC$CHROMATOGRAPHY": [ + 33, + 34, + 35, + 36, + 37, + 38 + ], + "MS$FOCUSED_ION": [ + 39, + 40, + 41 + ], + "MS$DATA_PROCESSING": [ + 42, + 43, + 44 + ], + "PK$SPLASH": [ + 45 + ], + "PK$ANNOTATION": [ + 46 + ], + "PK$NUM_PEAK": [ + 51 + ], + "PK$PEAK": [ + 52 + ] + }, + "source_headers": { + "ACCESSION": [ + "MSBNK-CASMI_2016-SM804503" + ], + "RECORD_TITLE": [ + "3-Pyridinol; LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M+H]+" + ], + "DATE": [ + "2016.12.12" + ], + "AUTHORS": [ + "Krauss M, Schymanski EL, Weidauer C, Schupke H, UFZ and Eawag" + ], + "LICENSE": [ + "CC BY" + ], + "COPYRIGHT": [ + "Copyright (C) 2016 UFZ/Eawag" + ], + "PUBLICATION": [ + "Schymanski, E. L.; Ruttkies, C.; Krauss, M.; Brouard, C.; Kind, T.; Dührkop, K.; Allen, F.; Vaniya, A.; Verdegem, D.; Böcker, S.; et al. Critical Assessment of Small Molecule Identification 2016: Automated Methods. Journal of Cheminformatics 2017, 9 (1). DOI:10.1186/s13321-017-0207-1" + ], + "COMMENT": [ + "CONFIDENCE standard compound", + "INTERNAL_ID 8045" + ], + "CH$NAME": [ + "3-Pyridinol", + "3-Hydroxypyridine", + "pyridin-3-ol" + ], + "CH$COMPOUND_CLASS": [ + "N/A; Environmental Standard" + ], + "CH$FORMULA": [ + "C5H5NO" + ], + "CH$EXACT_MASS": [ + "95.03711" + ], + "CH$SMILES": [ + "OC1=CC=CN=C1" + ], + "CH$IUPAC": [ + "InChI=1S/C5H5NO/c7-5-2-1-3-6-4-5/h1-4,7H" + ], + "CH$LINK": [ + "CAS 109-00-2", + "CHEBI CHEBI:87440", + "PUBCHEM CID:7971", + "INCHIKEY GRFNBEZIAWKNCO-UHFFFAOYSA-N", + "CHEMSPIDER 7683", + "COMPTOX DTXSID1051563", + "ChemOnt CHEMONTID:0004151; Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Hydroxypyridines" + ], + "AC$INSTRUMENT": [ + "Q Exactive Plus Orbitrap Thermo Scientific" + ], + "AC$INSTRUMENT_TYPE": [ + "LC-ESI-QFT" + ], + "AC$MASS_SPECTROMETRY": [ + "MS_TYPE MS2", + "ION_MODE POSITIVE", + "IONIZATION ESI", + "FRAGMENTATION_MODE HCD", + "COLLISION_ENERGY 35 (nominal)", + "RESOLUTION 35000" + ], + "AC$CHROMATOGRAPHY": [ + "COLUMN_NAME Kinetex C18 EVO 2.6 um, 2.1x50 mm, precolumn 2.1x5 mm, Phenomenex", + "FLOW_GRADIENT 95/5 at 0 min, 95/5 at 1 min, 0/100 at 13 min, 0/100 at 24 min", + "FLOW_RATE 300 uL/min", + "RETENTION_TIME 0.593 min", + "SOLVENT A water with 0.1% formic acid", + "SOLVENT B methanol with 0.1% formic acid" + ], + "MS$FOCUSED_ION": [ + "BASE_PEAK 95.0602", + "PRECURSOR_M/Z 96.0444", + "PRECURSOR_TYPE [M+H]+" + ], + "MS$DATA_PROCESSING": [ + "RECALIBRATE loess on assigned fragments and MS1", + "REANALYZE Peaks with additional N2/O included", + "WHOLE RMassBank 2.3.1" + ], + "PK$SPLASH": [ + "splash10-0002-9000000000-a0523e15de8c86466db5" + ], + "PK$ANNOTATION": [ + "m/z tentative_formula formula_count mass error(ppm)" + ], + "PK$NUM_PEAK": [ + "4" + ], + "PK$PEAK": [ + "m/z int. rel.int." + ] + }, + "limitations": [ + "Source Q Exactive Plus differs from target Exploris120. Fixed MS2 spectrum transfer requires explicit host acceptance.", + "35000 source resolving power is not a selectable Exploris120 resolving-power setting; resampling does not create original resolution.", + "Polarity/adduct and reported nominal NCE are retained, but record35 versus paper stepped20/35/50 remains unresolved; even nominally matching NCE requires explicit source-condition transfer acceptance.", + "Source intensity is not concentration calibration, detector count, current or FT transient.", + "Precursor formula and mass reference are not a certified calibrant assignment; current mass-scale and response require explicit model observations.", + "All MS1 isotope probabilities are theoretical natural-isotope references; no actual ESI response or solvent-specific adduct equilibrium is claimed.", + "A single-peak MS2 record is a valid reference but does not establish a rich structural fragmentation pattern or unique molecular structure." + ] + }, + "sm804853": { + "substance_id": "sm804853", + "accession": "MSBNK-CASMI_2016-SM804853", + "name_en": "4,4`-Thiodiphenol", + "names": [ + "4,4`-Thiodiphenol", + "4-(4-hydroxyphenyl)sulfanylphenol" + ], + "formula": "C12H10O2S", + "element_counts": { + "C": 12, + "H": 10, + "O": 2, + "S": 1 + }, + "inchikey": "VWGKEVWFBOUAND-UHFFFAOYSA-N", + "inchi": "InChI=1S/C12H10O2S/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h1-8,13-14H", + "smiles": "OC1=CC=C(SC2=CC=C(O)C=C2)C=C1", + "cas": "2664-63-3", + "pubchem_cid": "CID:17570", + "molar_mass_kg_mol": 0.21827183555614438, + "molar_mass_evidence": "derived approximate average from NIST representative isotope composition, not current specimen isotopic mass", + "source_neutral_exact_mass_u": 218.04015, + "neutral_exact_mass_u": 218.04015073584, + "neutral_exact_mass_evidence": "derived from most abundant NIST isotope of each element, source rounded CH$EXACT_MASS retained separately", + "precursor_mz": 217.0329, + "precursor_mz_si_kg_c": 2.2493875022459447e-06, + 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No renormalization of retained probabilities. Positive neutral molecule adds fixed CODATA proton; negative molecule loses one natural H atom and gains CODATA electron. Electron/proton binding-energy conventions are molecular mass approximations, not measured MS1 or isotope response.", + "physical_scope": "Derived isotope-composition probabilities, not response/ionization efficiency; instrument-resolved profile is synthetic." + }, + "ms2": { + "mass_to_charge_relative": [ + 123.9983, + 217.0329 + ], + "mass_to_charge_si_kg_c": [ + 1.2851518194695057e-06, + 2.2493875022459447e-06 + ], + "raw_intensity": [ + 530641.9, + 428128.8 + ], + "raw_intensity_unit": "unspecified instrument intensity, not counts/A/C", + "published_relative_intensity": [ + 999, + 806 + ], + "relative_intensity": [ + 1.0, + 0.8068130315378412 + ], + "normalization": "all original raw-intensity values divided by their original maximum; full spectrum retained, no mass-domain renormalization", + "relative_intensity_unit": "1", + "evidence": "measured_literature", + "source": "massbank_sm804853", + "annotations_raw": [ + { + "line": 46, + "raw": " 123.9983 C6H4OS- 1 123.9988 -4.16" + }, + { + "line": 47, + "raw": " 217.0329 C12H9O2S- 1 217.0329 0.06" + } + ], + "source_peak_count": 2, + "original_acquisition_type": "processed centroid peak table, loess recalibrated by RMassBank; not unprocessed detector electronics" + }, + "range_40_3000": { + "original_indices": [ + 0, + 1 + ], + "retained_raw_intensity_fraction": 1.0, + "meaning": "Fraction of sums of reported intensities, not analyte yield/ion count/charge/mass" + }, + "source": "massbank_sm804853", + "evidence": "measured_literature", + "source_field_lines": { + "ACCESSION": [ + 1 + ], + "RECORD_TITLE": [ + 2 + ], + "DATE": [ + 3 + ], + "AUTHORS": [ + 4 + ], + "LICENSE": [ + 5 + ], + "COPYRIGHT": [ + 6 + ], + "PUBLICATION": [ + 7 + ], + "COMMENT": [ + 8, + 9 + ], + "CH$NAME": [ + 10, + 11 + ], + "CH$COMPOUND_CLASS": [ + 12 + ], + "CH$FORMULA": [ + 13 + ], + "CH$EXACT_MASS": [ + 14 + ], + "CH$SMILES": [ + 15 + ], + "CH$IUPAC": [ + 16 + ], + "CH$LINK": [ + 17, + 18, + 19, + 20, + 21, + 22, + 23 + ], + "AC$INSTRUMENT": [ + 24 + ], + "AC$INSTRUMENT_TYPE": [ + 25 + ], + "AC$MASS_SPECTROMETRY": [ + 26, + 27, + 28, + 29, + 30, + 31 + ], + "AC$CHROMATOGRAPHY": [ + 32, + 33, + 34, + 35, + 36, + 37 + ], + "MS$FOCUSED_ION": [ + 38, + 39, + 40 + ], + "MS$DATA_PROCESSING": [ + 41, + 42, + 43 + ], + "PK$SPLASH": [ + 44 + ], + "PK$ANNOTATION": [ + 45 + ], + "PK$NUM_PEAK": [ + 48 + ], + "PK$PEAK": [ + 49 + ] + }, + "source_headers": { + "ACCESSION": [ + "MSBNK-CASMI_2016-SM804853" + ], + "RECORD_TITLE": [ + "4,4`-Thiodiphenol; LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M-H]-" + ], + "DATE": [ + "2016.12.12" + ], + "AUTHORS": [ + "Krauss M, Schymanski EL, Weidauer C, Schupke H, UFZ and Eawag" + ], + "LICENSE": [ + "CC BY" + ], + "COPYRIGHT": [ + "Copyright (C) 2016 UFZ/Eawag" + ], + "PUBLICATION": [ + "Schymanski, E. L.; Ruttkies, C.; Krauss, M.; Brouard, C.; Kind, T.; Dührkop, K.; Allen, F.; Vaniya, A.; Verdegem, D.; Böcker, S.; et al. Critical Assessment of Small Molecule Identification 2016: Automated Methods. Journal of Cheminformatics 2017, 9 (1). DOI:10.1186/s13321-017-0207-1" + ], + "COMMENT": [ + "CONFIDENCE standard compound", + "INTERNAL_ID 8048" + ], + "CH$NAME": [ + "4,4`-Thiodiphenol", + "4-(4-hydroxyphenyl)sulfanylphenol" + ], + "CH$COMPOUND_CLASS": [ + "N/A; Environmental Standard" + ], + "CH$FORMULA": [ + "C12H10O2S" + ], + "CH$EXACT_MASS": [ + "218.04015" + ], + "CH$SMILES": [ + "OC1=CC=C(SC2=CC=C(O)C=C2)C=C1" + ], + "CH$IUPAC": [ + "InChI=1S/C12H10O2S/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h1-8,13-14H" + ], + "CH$LINK": [ + "CAS 2664-63-3", + "CHEBI CHEBI:38957", + "PUBCHEM CID:17570", + "INCHIKEY VWGKEVWFBOUAND-UHFFFAOYSA-N", + "CHEMSPIDER 16612", + "COMPTOX DTXSID9047960", + "ChemOnt CHEMONTID:0004631; Organic compounds; Organosulfur compounds; Thioethers; Aryl thioethers" + ], + "AC$INSTRUMENT": [ + "Q Exactive Plus Orbitrap Thermo Scientific" + ], + "AC$INSTRUMENT_TYPE": [ + "LC-ESI-QFT" + ], + "AC$MASS_SPECTROMETRY": [ + "MS_TYPE MS2", + "ION_MODE NEGATIVE", + "IONIZATION ESI", + "FRAGMENTATION_MODE HCD", + "COLLISION_ENERGY 35 (nominal)", + "RESOLUTION 35000" + ], + "AC$CHROMATOGRAPHY": [ + "COLUMN_NAME Kinetex C18 EVO 2.6 um, 2.1x50 mm, precolumn 2.1x5 mm, Phenomenex", + "FLOW_GRADIENT 95/5 at 0 min, 95/5 at 1 min, 0/100 at 13 min, 0/100 at 24 min", + "FLOW_RATE 300 uL/min", + "RETENTION_TIME 9.989 min", + "SOLVENT A water with 0.1% formic acid", + "SOLVENT B methanol with 0.1% formic acid" + ], + "MS$FOCUSED_ION": [ + "BASE_PEAK 91.0021", + "PRECURSOR_M/Z 217.0329", + "PRECURSOR_TYPE [M-H]-" + ], + "MS$DATA_PROCESSING": [ + "RECALIBRATE loess on assigned fragments and MS1", + "REANALYZE Peaks with additional N2/O included", + "WHOLE RMassBank 2.3.1" + ], + "PK$SPLASH": [ + "splash10-00xr-0970000000-fd2572a99f3f0dc92647" + ], + "PK$ANNOTATION": [ + "m/z tentative_formula formula_count mass error(ppm)" + ], + "PK$NUM_PEAK": [ + "2" + ], + "PK$PEAK": [ + "m/z int. rel.int." + ] + }, + "limitations": [ + "Source Q Exactive Plus differs from target Exploris120. 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DOI:10.1186/s13321-017-0207-1" + ], + "COMMENT": [ + "CONFIDENCE standard compound", + "INTERNAL_ID 8049" + ], + "CH$NAME": [ + "4,7-Phenanthroline", + "4,7-phenanthrolin" + ], + "CH$COMPOUND_CLASS": [ + "N/A; Environmental Standard" + ], + "CH$FORMULA": [ + "C12H8N2" + ], + "CH$EXACT_MASS": [ + "180.06875" + ], + "CH$SMILES": [ + "C1=CN=C2C=CC3=NC=CC=C3C2=C1" + ], + "CH$IUPAC": [ + "InChI=1S/C12H8N2/c1-3-9-10-4-2-8-14-12(10)6-5-11(9)13-7-1/h1-8H" + ], + "CH$LINK": [ + "CAS 230-07-9", + "CHEBI CHEBI:36419", + "PUBCHEM CID:67472", + "INCHIKEY DATYUTWESAKQQM-UHFFFAOYSA-N", + "CHEMSPIDER 60796", + "COMPTOX DTXSID30177552", + "ChemOnt CHEMONTID:0001253; Organic compounds; Organoheterocyclic compounds; Quinolines and derivatives" + ], + "AC$INSTRUMENT": [ + "Q Exactive Plus Orbitrap Thermo Scientific" + ], + "AC$INSTRUMENT_TYPE": [ + "LC-ESI-QFT" + ], + "AC$MASS_SPECTROMETRY": [ + "MS_TYPE MS2", + "ION_MODE POSITIVE", + "IONIZATION ESI", + "FRAGMENTATION_MODE HCD", + "COLLISION_ENERGY 35 (nominal)", + "RESOLUTION 35000" + ], + "AC$CHROMATOGRAPHY": [ + "COLUMN_NAME Kinetex C18 EVO 2.6 um, 2.1x50 mm, precolumn 2.1x5 mm, Phenomenex", + "FLOW_GRADIENT 95/5 at 0 min, 95/5 at 1 min, 0/100 at 13 min, 0/100 at 24 min", + "FLOW_RATE 300 uL/min", + "RETENTION_TIME 2.881 min", + "SOLVENT A water with 0.1% formic acid", + "SOLVENT B methanol with 0.1% formic acid" + ], + "MS$FOCUSED_ION": [ + "BASE_PEAK 181.0757", + "PRECURSOR_M/Z 181.076", + "PRECURSOR_TYPE [M+H]+" + ], + "MS$DATA_PROCESSING": [ + "RECALIBRATE loess on assigned fragments and MS1", + "REANALYZE Peaks with additional N2/O included", + "WHOLE RMassBank 2.3.1" + ], + "PK$SPLASH": [ + "splash10-001i-0900000000-cb2287ea95088334ff2d" + ], + "PK$ANNOTATION": [ + "m/z tentative_formula formula_count mass error(ppm)" + ], + "PK$NUM_PEAK": [ + "4" + ], + "PK$PEAK": [ + "m/z int. rel.int." + ] + }, + "limitations": [ + "Source Q Exactive Plus differs from target Exploris120. Fixed MS2 spectrum transfer requires explicit host acceptance.", + "35000 source resolving power is not a selectable Exploris120 resolving-power setting; resampling does not create original resolution.", + "Polarity/adduct and reported nominal NCE are retained, but record35 versus paper stepped20/35/50 remains unresolved; even nominally matching NCE requires explicit source-condition transfer acceptance.", + "Source intensity is not concentration calibration, detector count, current or FT transient.", + "Precursor formula and mass reference are not a certified calibrant assignment; current mass-scale and response require explicit model observations.", + "All MS1 isotope probabilities are theoretical natural-isotope references; no actual ESI response or solvent-specific adduct equilibrium is claimed.", + "A single-peak MS2 record is a valid reference but does not establish a rich structural fragmentation pattern or unique molecular structure." + ] + }, + "sm805001": { + "substance_id": "sm805001", + "accession": "MSBNK-CASMI_2016-SM805001", + "name_en": "4-Acetamidophenol", + "names": [ + "4-Acetamidophenol", + "Acetaminophen", + "N-(4-hydroxyphenyl)acetamide" + ], + "formula": "C8H9NO2", + "element_counts": { + "C": 8, + "H": 9, + "N": 1, + "O": 2 + }, + "inchikey": "RZVAJINKPMORJF-UHFFFAOYSA-N", + "inchi": "InChI=1S/C8H9NO2/c1-6(10)9-7-2-4-8(11)5-3-7/h2-5,11H,1H3,(H,9,10)", + "smiles": "CC(=O)NC1=CC=C(O)C=C1", + "cas": "103-90-2", + "pubchem_cid": "CID:1983", + "molar_mass_kg_mol": 0.15116286702046633, + "molar_mass_evidence": "derived approximate average from NIST representative isotope composition, not current specimen isotopic mass", + "source_neutral_exact_mass_u": 151.06333, + "neutral_exact_mass_u": 151.06332853364, + "neutral_exact_mass_evidence": "derived from most abundant NIST isotope of each element, source rounded CH$EXACT_MASS retained separately", + "precursor_mz": 152.0706, + "precursor_mz_si_kg_c": 1.5761007068469443e-06, + "precursor_mz_evidence": 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per element; atomic masses each rounded once to 1e-9 u and exactly summed as integer nano-u during atom convolution; prune probability<1e-10 and cap4096 states after each atom. No renormalization of retained probabilities. Positive neutral molecule adds fixed CODATA proton; negative molecule loses one natural H atom and gains CODATA electron. Electron/proton binding-energy conventions are molecular mass approximations, not measured MS1 or isotope response.", + "physical_scope": "Derived isotope-composition probabilities, not response/ionization efficiency; instrument-resolved profile is synthetic." + }, + "ms2": { + "mass_to_charge_relative": [ + 65.0386, + 67.0544, + 82.0652, + 92.0494, + 93.0335, + 109.0523, + 110.06, + 111.044, + 134.06, + 152.0706 + ], + "mass_to_charge_si_kg_c": [ + 6.740775891746049e-07, + 6.949698839696676e-07, + 8.50545863089485e-07, + 9.54024804300352e-07, + 9.64224282079805e-07, + 1.1302474450241204e-06, + 1.1406915195677183e-06, + 1.1508899609202046e-06, + 1.3894339915795776e-06, + 1.5761007068469443e-06 + ], + "raw_intensity": [ + 393492.0, + 46096.4, + 243011.0, + 727965.6, + 861008.0, + 49900.6, + 31271858.0, + 679254.8, + 721970.8, + 38129436.0 + ], + "raw_intensity_unit": "unspecified instrument intensity, not counts/A/C", + "published_relative_intensity": [ + 10, + 1, + 6, + 19, + 22, + 1, + 819, + 17, + 18, + 999 + ], + "relative_intensity": [ + 0.010319900876582596, + 0.001208945235906453, + 0.006373317454787425, + 0.019091958244543662, + 0.022581188979558995, + 0.0013087159222601667, + 0.8201500279206857, + 0.017814446560394968, + 0.018934735882272166, + 1.0 + ], + "normalization": "all original raw-intensity values divided by their original maximum; full spectrum retained, no mass-domain renormalization", + "relative_intensity_unit": "1", + "evidence": "measured_literature", + "source": "massbank_sm805001", + "annotations_raw": [ + { + "line": 48, + "raw": " 65.0386 C5H5+ 1 65.0386 0.86" + }, + { + "line": 49, + "raw": " 67.0544 C5H7+ 1 67.0542 1.86" + }, + { + "line": 50, + "raw": " 82.0652 C5H8N+ 1 82.0651 0.33" + }, + { + "line": 51, + "raw": " 92.0494 C6H6N+ 1 92.0495 -0.41" + }, + { + "line": 52, + "raw": " 93.0335 C6H5O+ 1 93.0335 -0.28" + }, + { + "line": 53, + "raw": " 109.0523 C6H7NO+ 1 109.0522 0.72" + }, + { + "line": 54, + "raw": " 110.06 C6H8NO+ 1 110.06 -0.18" + }, + { + "line": 55, + "raw": " 111.044 C6H7O2+ 1 111.0441 -0.39" + }, + { + "line": 56, + "raw": " 134.06 C8H8NO+ 1 134.06 -0.27" + }, + { + "line": 57, + "raw": " 152.0706 C8H10NO2+ 1 152.0706 -0.35" + } + ], + "source_peak_count": 10, + "original_acquisition_type": "processed centroid peak table, loess recalibrated by RMassBank; not unprocessed detector electronics" + }, + "range_40_3000": { + "original_indices": [ + 0, + 1, + 2, + 3, + 4, + 5, + 6, + 7, + 8, + 9 + ], + "retained_raw_intensity_fraction": 1.0, + "meaning": "Fraction of sums of reported intensities, not analyte yield/ion count/charge/mass" + }, + "source": "massbank_sm805001", + "evidence": "measured_literature", + "source_field_lines": { + "ACCESSION": [ + 1 + ], + "RECORD_TITLE": [ + 2 + ], + "DATE": [ + 3 + ], + "AUTHORS": [ + 4 + ], + "LICENSE": [ + 5 + ], + "COPYRIGHT": [ + 6 + ], + "PUBLICATION": [ + 7 + ], + "COMMENT": [ + 8, + 9 + ], + "CH$NAME": [ + 10, + 11, + 12 + ], + "CH$COMPOUND_CLASS": [ + 13 + ], + "CH$FORMULA": [ + 14 + ], + "CH$EXACT_MASS": [ + 15 + ], + "CH$SMILES": [ + 16 + ], + "CH$IUPAC": [ + 17 + ], + "CH$LINK": [ + 18, + 19, + 20, + 21, + 22, + 23, + 24, + 25 + ], + "AC$INSTRUMENT": [ + 26 + ], + "AC$INSTRUMENT_TYPE": [ + 27 + ], + "AC$MASS_SPECTROMETRY": [ + 28, + 29, + 30, + 31, + 32, + 33 + ], + "AC$CHROMATOGRAPHY": [ + 34, + 35, + 36, + 37, + 38, + 39 + ], + "MS$FOCUSED_ION": [ + 40, + 41, + 42 + ], + "MS$DATA_PROCESSING": [ + 43, + 44, + 45 + ], + "PK$SPLASH": [ + 46 + ], + "PK$ANNOTATION": [ + 47 + ], + "PK$NUM_PEAK": [ + 58 + ], + "PK$PEAK": [ + 59 + ] + }, + "source_headers": { + "ACCESSION": [ + "MSBNK-CASMI_2016-SM805001" + ], + "RECORD_TITLE": [ + "4-Acetamidophenol; LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M+H]+" + ], + "DATE": [ + "2016.12.12" + ], + "AUTHORS": [ + "Krauss M, Schymanski EL, Weidauer C, Schupke H, UFZ and Eawag" + ], + "LICENSE": [ + "CC BY" + ], + "COPYRIGHT": [ + "Copyright (C) 2016 UFZ/Eawag" + ], + "PUBLICATION": [ + "Schymanski, E. L.; Ruttkies, C.; Krauss, M.; Brouard, C.; Kind, T.; Dührkop, K.; Allen, F.; Vaniya, A.; Verdegem, D.; Böcker, S.; et al. Critical Assessment of Small Molecule Identification 2016: Automated Methods. Journal of Cheminformatics 2017, 9 (1). DOI:10.1186/s13321-017-0207-1" + ], + "COMMENT": [ + "CONFIDENCE standard compound", + "INTERNAL_ID 8050" + ], + "CH$NAME": [ + "4-Acetamidophenol", + "Acetaminophen", + "N-(4-hydroxyphenyl)acetamide" + ], + "CH$COMPOUND_CLASS": [ + "N/A; Environmental Standard" + ], + "CH$FORMULA": [ + "C8H9NO2" + ], + "CH$EXACT_MASS": [ + "151.06333" + ], + "CH$SMILES": [ + "CC(=O)NC1=CC=C(O)C=C1" + ], + "CH$IUPAC": [ + "InChI=1S/C8H9NO2/c1-6(10)9-7-2-4-8(11)5-3-7/h2-5,11H,1H3,(H,9,10)" + ], + "CH$LINK": [ + "CAS 103-90-2", + "CHEBI CHEBI:46195", + "KEGG D00217", + "PUBCHEM CID:1983", + "INCHIKEY RZVAJINKPMORJF-UHFFFAOYSA-N", + "CHEMSPIDER 1906", + "COMPTOX DTXSID2020006", + "ChemOnt CHEMONTID:0004646; Organic compounds; Benzenoids; Phenols; 1-hydroxy-2-unsubstituted benzenoids" + ], + "AC$INSTRUMENT": [ + "Q Exactive Plus Orbitrap Thermo Scientific" + ], + "AC$INSTRUMENT_TYPE": [ + "LC-ESI-QFT" + ], + "AC$MASS_SPECTROMETRY": [ + "MS_TYPE MS2", + "ION_MODE POSITIVE", + "IONIZATION ESI", + "FRAGMENTATION_MODE HCD", + "COLLISION_ENERGY 35 (nominal)", + "RESOLUTION 35000" + ], + "AC$CHROMATOGRAPHY": [ + "COLUMN_NAME Kinetex C18 EVO 2.6 um, 2.1x50 mm, precolumn 2.1x5 mm, Phenomenex", + "FLOW_GRADIENT 95/5 at 0 min, 95/5 at 1 min, 0/100 at 13 min, 0/100 at 24 min", + "FLOW_RATE 300 uL/min", + "RETENTION_TIME 1.139 min", + "SOLVENT A water with 0.1% formic acid", + "SOLVENT B methanol with 0.1% formic acid" + ], + "MS$FOCUSED_ION": [ + "BASE_PEAK 152.0704", + "PRECURSOR_M/Z 152.0706", + "PRECURSOR_TYPE [M+H]+" + ], + "MS$DATA_PROCESSING": [ + "RECALIBRATE loess on assigned fragments and MS1", + "REANALYZE Peaks with additional N2/O included", + "WHOLE RMassBank 2.3.1" + ], + "PK$SPLASH": [ + "splash10-0w29-0900000000-fcf8e62537bd6db11b3a" + ], + "PK$ANNOTATION": [ + "m/z tentative_formula formula_count mass error(ppm)" + ], + "PK$NUM_PEAK": [ + "10" + ], + "PK$PEAK": [ + "m/z int. rel.int." + ] + }, + "limitations": [ + "Source Q Exactive Plus differs from target Exploris120. Fixed MS2 spectrum transfer requires explicit host acceptance.", + "35000 source resolving power is not a selectable Exploris120 resolving-power setting; resampling does not create original resolution.", + "Polarity/adduct and reported nominal NCE are retained, but record35 versus paper stepped20/35/50 remains unresolved; even nominally matching NCE requires explicit source-condition transfer acceptance.", + "Source intensity is not concentration calibration, detector count, current or FT transient.", + "Precursor formula and mass reference are not a certified calibrant assignment; current mass-scale and response require explicit model observations.", + "All MS1 isotope probabilities are theoretical natural-isotope references; no actual ESI response or solvent-specific adduct equilibrium is claimed.", + "A single-peak MS2 record is a valid reference but does not establish a rich structural fragmentation pattern or unique molecular structure." + ] + }, + "sm805302": { + "substance_id": "sm805302", + "accession": "MSBNK-CASMI_2016-SM805302", + "name_en": "4`-Aminoacetanilide", + "names": [ + "4`-Aminoacetanilide" + ], + "formula": "C8H10N2O", + "element_counts": { + "C": 8, + "H": 10, + "N": 2, + "O": 1 + }, + "inchikey": "CHMBIJAOCISYEW-UHFFFAOYSA-N", + "inchi": "InChI=1S/C8H10N2O/c1-6(11)10-8-4-2-7(9)3-5-8/h2-5H,9H2,1H3,(H,10,11)", + "smiles": "CC(=O)NC1=CC=C(N)C=C1", + "cas": "122-80-5", + "pubchem_cid": "CID:31230", + "molar_mass_kg_mol": 0.15017810606164964, + "molar_mass_evidence": "derived approximate average from NIST representative isotope composition, not current specimen isotopic mass", + "source_neutral_exact_mass_u": 150.07931, + "neutral_exact_mass_u": 150.07931295073, + "neutral_exact_mass_evidence": "derived from most abundant NIST isotope of each element, source rounded CH$EXACT_MASS retained separately", + "precursor_mz": 151.0866, + "precursor_mz_si_kg_c": 1.565902265494458e-06, + "precursor_mz_evidence": "reported precursor selection/reference 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No renormalization of retained probabilities. Positive neutral molecule adds fixed CODATA proton; negative molecule loses one natural H atom and gains CODATA electron. 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L.; Ruttkies, C.; Krauss, M.; Brouard, C.; Kind, T.; Dührkop, K.; Allen, F.; Vaniya, A.; Verdegem, D.; Böcker, S.; et al. Critical Assessment of Small Molecule Identification 2016: Automated Methods. Journal of Cheminformatics 2017, 9 (1). DOI:10.1186/s13321-017-0207-1" + ], + "COMMENT": [ + "CONFIDENCE standard compound", + "INTERNAL_ID 8053" + ], + "CH$NAME": [ + "4`-Aminoacetanilide" + ], + "CH$COMPOUND_CLASS": [ + "N/A; Environmental Standard" + ], + "CH$FORMULA": [ + "C8H10N2O" + ], + "CH$EXACT_MASS": [ + "150.07931" + ], + "CH$SMILES": [ + "CC(=O)NC1=CC=C(N)C=C1" + ], + "CH$IUPAC": [ + "InChI=1S/C8H10N2O/c1-6(11)10-8-4-2-7(9)3-5-8/h2-5H,9H2,1H3,(H,10,11)" + ], + "CH$LINK": [ + "CAS 122-80-5", + "PUBCHEM CID:31230", + "INCHIKEY CHMBIJAOCISYEW-UHFFFAOYSA-N", + "CHEMSPIDER 10297844", + "COMPTOX DTXSID7024455", + "ChemOnt CHEMONTID:0000285; Organic compounds; Benzenoids; Benzene and substituted derivatives; Anilides" + ], + "AC$INSTRUMENT": [ + "Q Exactive Plus Orbitrap Thermo Scientific" + ], + "AC$INSTRUMENT_TYPE": [ + "LC-ESI-QFT" + ], + "AC$MASS_SPECTROMETRY": [ + "MS_TYPE MS2", + "ION_MODE POSITIVE", + "IONIZATION ESI", + "FRAGMENTATION_MODE HCD", + "COLLISION_ENERGY 35 (nominal)", + "RESOLUTION 35000" + ], + "AC$CHROMATOGRAPHY": [ + "COLUMN_NAME Kinetex C18 EVO 2.6 um, 2.1x50 mm, precolumn 2.1x5 mm, Phenomenex", + "FLOW_GRADIENT 95/5 at 0 min, 95/5 at 1 min, 0/100 at 13 min, 0/100 at 24 min", + "FLOW_RATE 300 uL/min", + "RETENTION_TIME 0.423 min", + "SOLVENT A water with 0.1% formic acid", + "SOLVENT B methanol with 0.1% formic acid" + ], + "MS$FOCUSED_ION": [ + "BASE_PEAK 96.0442", + "PRECURSOR_M/Z 151.0866", + "PRECURSOR_TYPE [M+H]+" + ], + "MS$DATA_PROCESSING": [ + "RECALIBRATE loess on assigned fragments and MS1", + "REANALYZE Peaks with additional N2/O included", + "WHOLE RMassBank 2.3.1" + ], + "PK$SPLASH": [ + "splash10-0zfr-0900000000-e4150d50c528b5c972ec" + ], + "PK$ANNOTATION": [ + "m/z tentative_formula formula_count mass error(ppm)" + ], + "PK$NUM_PEAK": [ + "11" + ], + "PK$PEAK": [ + "m/z int. rel.int." + ] + }, + "limitations": [ + "Source Q Exactive Plus differs from target Exploris120. Fixed MS2 spectrum transfer requires explicit host acceptance.", + "35000 source resolving power is not a selectable Exploris120 resolving-power setting; resampling does not create original resolution.", + "Polarity/adduct and reported nominal NCE are retained, but record35 versus paper stepped20/35/50 remains unresolved; even nominally matching NCE requires explicit source-condition transfer acceptance.", + "Source intensity is not concentration calibration, detector count, current or FT transient.", + "Precursor formula and mass reference are not a certified calibrant assignment; current mass-scale and response require explicit model observations.", + "All MS1 isotope probabilities are theoretical natural-isotope references; no actual ESI response or solvent-specific adduct equilibrium is claimed.", + "A single-peak MS2 record is a valid reference but does not establish a rich structural fragmentation pattern or unique molecular structure." + ] + }, + "sm805401": { + "substance_id": "sm805401", + "accession": "MSBNK-CASMI_2016-SM805401", + "name_en": "4-Fluoraniline", + "names": [ + "4-Fluoraniline" + ], + "formula": "C6H6FN", + "element_counts": { + "C": 6, + "H": 6, + "F": 1, + "N": 1 + }, + "inchikey": "KRZCOLNOCZKSDF-UHFFFAOYSA-N", + "inchi": "InChI=1S/C6H6FN/c7-5-1-3-6(8)4-2-5/h1-4H,8H2", + "smiles": "NC1=CC=C(F)C=C1", + "cas": "371-40-4", + "pubchem_cid": "CID:9731", + "molar_mass_kg_mol": 0.11111716627892196, + "molar_mass_evidence": "derived approximate average from NIST representative isotope composition, not current specimen isotopic mass", + "source_neutral_exact_mass_u": 111.04843, + "neutral_exact_mass_u": 111.04842736054, + "neutral_exact_mass_evidence": "derived from most abundant NIST isotope of each element, source rounded CH$EXACT_MASS retained separately", + "precursor_mz": 112.0557, + "precursor_mz_si_kg_c": 1.161375492542471e-06, + "precursor_mz_evidence": "reported precursor selection/reference setting, not independently available MS1 centroid data", + "derived_precursor_mz": 112.0557038271189, + "precursor_charge": 1, + "precursor_type": "[M+H]+", + "polarity": "positive", + "ionization": "ESI", + "fragmentation_mode": "HCD", + "instrument_type": "LC-ESI-QFT", + "instrument": "Q Exactive Plus Orbitrap Thermo Scientific", + "collision_energy": { + "value": 35.0, + "unit": "NCE", + "fraction": 0.35, + "raw": "35 (nominal)", + "unit_evidence": "RECORD_TITLE explicitly names NCE; 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atomic masses each rounded once to 1e-9 u and exactly summed as integer nano-u during atom convolution; prune probability<1e-10 and cap4096 states after each atom. No renormalization of retained probabilities. Positive neutral molecule adds fixed CODATA proton; negative molecule loses one natural H atom and gains CODATA electron. 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L.; Ruttkies, C.; Krauss, M.; Brouard, C.; Kind, T.; Dührkop, K.; Allen, F.; Vaniya, A.; Verdegem, D.; Böcker, S.; et al. Critical Assessment of Small Molecule Identification 2016: Automated Methods. Journal of Cheminformatics 2017, 9 (1). DOI:10.1186/s13321-017-0207-1" + ], + "COMMENT": [ + "CONFIDENCE standard compound", + "INTERNAL_ID 8054" + ], + "CH$NAME": [ + "4-Fluoraniline" + ], + "CH$COMPOUND_CLASS": [ + "N/A; Environmental Standard" + ], + "CH$FORMULA": [ + "C6H6FN" + ], + "CH$EXACT_MASS": [ + "111.04843" + ], + "CH$SMILES": [ + "NC1=CC=C(F)C=C1" + ], + "CH$IUPAC": [ + "InChI=1S/C6H6FN/c7-5-1-3-6(8)4-2-5/h1-4H,8H2" + ], + "CH$LINK": [ + "CAS 371-40-4", + "CHEBI CHEBI:28546", + "KEGG C11014", + "PUBCHEM CID:9731", + "INCHIKEY KRZCOLNOCZKSDF-UHFFFAOYSA-N", + "CHEMSPIDER 9349", + "COMPTOX DTXSID9022027", + "ChemOnt CHEMONTID:0000284; Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines" + ], + "AC$INSTRUMENT": [ + "Q Exactive Plus Orbitrap Thermo Scientific" + ], + "AC$INSTRUMENT_TYPE": [ + "LC-ESI-QFT" + ], + "AC$MASS_SPECTROMETRY": [ + "MS_TYPE MS2", + "ION_MODE POSITIVE", + "IONIZATION ESI", + "FRAGMENTATION_MODE HCD", + "COLLISION_ENERGY 35 (nominal)", + "RESOLUTION 35000" + ], + "AC$CHROMATOGRAPHY": [ + "COLUMN_NAME Kinetex C18 EVO 2.6 um, 2.1x50 mm, precolumn 2.1x5 mm, Phenomenex", + "FLOW_GRADIENT 95/5 at 0 min, 95/5 at 1 min, 0/100 at 13 min, 0/100 at 24 min", + "FLOW_RATE 300 uL/min", + "RETENTION_TIME 0.461 min", + "SOLVENT A water with 0.1% formic acid", + "SOLVENT B methanol with 0.1% formic acid" + ], + "MS$FOCUSED_ION": [ + "BASE_PEAK 112.0555", + "PRECURSOR_M/Z 112.0557", + "PRECURSOR_TYPE [M+H]+" + ], + "MS$DATA_PROCESSING": [ + "RECALIBRATE loess on assigned fragments and MS1", + "REANALYZE Peaks with additional N2/O included", + "WHOLE RMassBank 2.3.1" + ], + "PK$SPLASH": [ + "splash10-03di-1900000000-ac9fd20d337cbfec2498" + ], + "PK$ANNOTATION": [ + "m/z tentative_formula formula_count mass error(ppm)" + ], + "PK$NUM_PEAK": [ + "12" + ], + "PK$PEAK": [ + "m/z int. rel.int." + ] + }, + "limitations": [ + "Source Q Exactive Plus differs from target Exploris120. Fixed MS2 spectrum transfer requires explicit host acceptance.", + "35000 source resolving power is not a selectable Exploris120 resolving-power setting; resampling does not create original resolution.", + "Polarity/adduct and reported nominal NCE are retained, but record35 versus paper stepped20/35/50 remains unresolved; even nominally matching NCE requires explicit source-condition transfer acceptance.", + "Source intensity is not concentration calibration, detector count, current or FT transient.", + "Precursor formula and mass reference are not a certified calibrant assignment; current mass-scale and response require explicit model observations.", + "All MS1 isotope probabilities are theoretical natural-isotope references; no actual ESI response or solvent-specific adduct equilibrium is claimed.", + "A single-peak MS2 record is a valid reference but does not establish a rich structural fragmentation pattern or unique molecular structure." + ] + }, + "sm805752": { + "substance_id": "sm805752", + "accession": "MSBNK-CASMI_2016-SM805752", + "name_en": "4-Iodphenol", + "names": [ + "4-Iodphenol" + ], + "formula": "C6H5IO", + "element_counts": { + "C": 6, + "H": 5, + "I": 1, + "O": 1 + }, + "inchikey": "VSMDINRNYYEDRN-UHFFFAOYSA-N", + "inchi": "InChI=1S/C6H5IO/c7-5-1-3-6(8)4-2-5/h1-4,8H", + "smiles": "OC1=CC=C(I)C=C1", + "cas": "540-38-5", + "pubchem_cid": "CID:10894", + "molar_mass_kg_mol": 0.22000799597500867, + "molar_mass_evidence": "derived approximate average from NIST representative isotope composition, not current specimen isotopic mass", + "source_neutral_exact_mass_u": 219.93851, + "neutral_exact_mass_u": 219.93851168072, + "neutral_exact_mass_evidence": "derived from most abundant NIST isotope of each element, source rounded CH$EXACT_MASS retained separately", + "precursor_mz": 218.9312, + "precursor_mz_si_kg_c": 2.2690619953551155e-06, + "precursor_mz_evidence": "reported precursor selection/reference setting, not independently available MS1 centroid data", + "derived_precursor_mz": 218.93123522839906, + "precursor_charge": -1, + "precursor_type": "[M-H]-", + "polarity": "negative", + "ionization": "ESI", + "fragmentation_mode": "HCD", + "instrument_type": "LC-ESI-QFT", + "instrument": "Q Exactive Plus Orbitrap Thermo Scientific", + "collision_energy": { + "value": 35.0, + "unit": "NCE", + "fraction": 0.35, + "raw": "35 (nominal)", + "unit_evidence": "RECORD_TITLE explicitly names NCE; no conversion to eV or V", + "paper_stepped_nce": [ + 20.0, + 35.0, + 50.0 + ], + "single_energy_verified": false, + "conflict": "Record labels35 NCE but cited paper Methods reports stepped20/35/50; cannot infer this is a pure35 spectrum." + }, + "source_resolution_200": 35000.0, + "source_resolution_evidence": "35000 nominal MS/MS resolving power at m/z200 documented in CASMI publication methods", + "conditions": { + "chromatography_raw": [ + "COLUMN_NAME Kinetex C18 EVO 2.6 um, 2.1x50 mm, precolumn 2.1x5 mm, Phenomenex", + "FLOW_GRADIENT 95/5 at 0 min, 95/5 at 1 min, 0/100 at 13 min, 0/100 at 24 min", + "FLOW_RATE 300 uL/min", + "RETENTION_TIME 9.312 min", + "SOLVENT A water with 0.1% formic acid", + "SOLVENT B methanol with 0.1% formic acid" + ], + "spectrometry_raw": [ + "MS_TYPE MS2", + "ION_MODE NEGATIVE", + "IONIZATION ESI", + "FRAGMENTATION_MODE HCD", + "COLLISION_ENERGY 35 (nominal)", + "RESOLUTION 35000" + ], + "data_processing_raw": [ + "RECALIBRATE loess on assigned fragments and MS1", + "REANALYZE Peaks with additional N2/O included", + "WHOLE RMassBank 2.3.1" + ], + "confidence_raw": [ + "CONFIDENCE Reference Standard (Level 1)", + "INTERNAL_ID 8057" + ], + "sample_concentration_kg_m3": null, + "temperature_k": null, + "electronic_profile_available": false, + "measured_on_exploris120": false + }, + "record_kind": "measured_processed_ms2_reference", + "physical_input_eligible": true, + "mass_reference_eligible": true, + "concentration_calibration_eligible": false, + "ms1_measured": null, + "single_peak_only": false, + "derived_ms1": { + "mass_to_charge_relative": [ + 218.93123522790904, + 219.93459006290902, + 219.93545236390904, + 219.93751197390904, + 220.93548022090903, + 220.93794489790903, + 220.93880719890905, + 220.94086680890905, + 220.94172910990903, + 220.94378871990904, + 221.93883505590904, + 221.94129973290904, + 221.94175696690903, + 221.94216203390903, + 221.94422164390903, + 221.94508394490904, + 221.94714355490905, + 222.94218989090905, + 222.94465456790903, + 222.94511180190904, + 222.94551686890904, + 222.94757647890904, + 222.94803371290902, + 222.94843877990903, + 223.94554472590903, + 223.94800940290904, + 223.94846663690905, + 224.94889956090904 + ], + "mass_to_charge_si_kg_c": [ + 2.269062360466665e-06, + 2.2794614005484544e-06, + 2.2794703376685527e-06, + 2.279491684022002e-06, + 2.2898348960531734e-06, + 2.289860440630244e-06, + 2.2898693777503425e-06, + 2.2898907241037917e-06, + 2.2898996612238897e-06, + 2.289921007577339e-06, + 2.3002339361349636e-06, + 2.300259480712034e-06, + 2.3002642196085107e-06, + 2.300268417832132e-06, + 2.300289764185581e-06, + 2.3002987013056794e-06, + 2.3003200476591286e-06, + 2.3106329762167533e-06, + 2.3106585207938232e-06, + 2.3106632596903005e-06, + 2.3106674579139216e-06, + 2.310688804267371e-06, + 2.3106935431638477e-06, + 2.310697741387469e-06, + 2.3210320162985427e-06, + 2.321057560875613e-06, + 2.3210622997720903e-06, + 2.3314310563803324e-06 + ], + "probability": [ + 0.9347848121528957, + 0.060662271242510765, + 0.00035608351155116974, + 0.00043005046939431234, + 0.0019209768386313105, + 0.0016402666084475513, + 2.3107815062756593e-05, + 2.7907854174785047e-05, + 1.638172542977823e-07, + 7.419223807789783e-08, + 0.00012466058125960793, + 2.3654237286146838e-05, + 8.83750977132773e-07, + 6.248196228937012e-07, + 7.546094199691702e-07, + 1.0630817472877412e-08, + 4.814658530881472e-09, + 3.3707374392949675e-06, + 1.9187835259408514e-07, + 5.735046268262814e-08, + 9.010505697580922e-09, + 1.0882200604697086e-08, + 1.5246457698175626e-10, + 2.8745008329068104e-10, + 4.860930705273918e-08, + 8.301216507658792e-10, + 1.5507175545944637e-09, + 3.943087931853149e-10 + ], + "relative_intensity": [ + 1.0, + 0.06489436975639341, + 0.00038092564932786676, + 0.00046005290608419966, + 0.002054993634531913, + 0.0017546996775331277, + 2.471992993717684e-05, + 2.985484339493138e-05, + 1.7524595197529585e-07, + 7.936825364869403e-08, + 0.00013335751676634872, + 2.5304473263390906e-05, + 9.454057935509382e-07, + 6.684101140397051e-07, + 8.072546859541237e-07, + 1.137247560579601e-08, + 5.150552799197571e-09, + 3.6058966678457776e-06, + 2.0526473055565762e-07, + 6.135151313653111e-08, + 9.639122908756826e-09, + 1.164139646175292e-08, + 1.6310125603198052e-10, + 3.075040154200377e-10, + 5.200053148145129e-08, + 8.880350215083538e-10, + 1.6589032410817823e-09, + 4.218177146857846e-10 + ], + "retained_probability": 0.999999999629533, + "excluded_probability": 3.704669904180946e-10, + "evidence": "derived", + "source": [ + "nist_isotopes", + "codata2022_u", + "codata2022_e", + "codata2022_me", + "codata2022_mp" + ], + "unit": "1", + "method": "Independent natural elemental abundances normalized per element; atomic masses each rounded once to 1e-9 u and exactly summed as integer nano-u during atom convolution; prune probability<1e-10 and cap4096 states after each atom. No renormalization of retained probabilities. Positive neutral molecule adds fixed CODATA proton; negative molecule loses one natural H atom and gains CODATA electron. Electron/proton binding-energy conventions are molecular mass approximations, not measured MS1 or isotope response.", + "physical_scope": "Derived isotope-composition probabilities, not response/ionization efficiency; instrument-resolved profile is synthetic." + }, + "ms2": { + "mass_to_charge_relative": [ + 126.9047, + 218.9313 + ], + "mass_to_charge_si_kg_c": [ + 1.315274532830142e-06, + 2.2690630317820827e-06 + ], + "raw_intensity": [ + 1652754.5, + 680913.3 + ], + "raw_intensity_unit": "unspecified instrument intensity, not counts/A/C", + "published_relative_intensity": [ + 999, + 411 + ], + "relative_intensity": [ + 1.0, + 0.41198695874069624 + ], + "normalization": "all original raw-intensity values divided by their original maximum; full spectrum retained, no mass-domain renormalization", + "relative_intensity_unit": "1", + "evidence": "measured_literature", + "source": "massbank_sm805752", + "annotations_raw": [ + { + "line": 45, + "raw": " 126.9047 I- 1 126.905 -2.88" + }, + { + "line": 46, + "raw": " 218.9313 C6H4IO- 1 218.9312 0.18" + } + ], + "source_peak_count": 2, + "original_acquisition_type": "processed centroid peak table, loess recalibrated by RMassBank; not unprocessed detector electronics" + }, + "range_40_3000": { + "original_indices": [ + 0, + 1 + ], + "retained_raw_intensity_fraction": 1.0, + "meaning": "Fraction of sums of reported intensities, not analyte yield/ion count/charge/mass" + }, + "source": "massbank_sm805752", + "evidence": "measured_literature", + "source_field_lines": { + "ACCESSION": [ + 1 + ], + "RECORD_TITLE": [ + 2 + ], + "DATE": [ + 3 + ], + "AUTHORS": [ + 4 + ], + "LICENSE": [ + 5 + ], + "COPYRIGHT": [ + 6 + ], + "PUBLICATION": [ + 7 + ], + "COMMENT": [ + 8, + 9 + ], + "CH$NAME": [ + 10 + ], + "CH$COMPOUND_CLASS": [ + 11 + ], + "CH$FORMULA": [ + 12 + ], + "CH$EXACT_MASS": [ + 13 + ], + "CH$SMILES": [ + 14 + ], + "CH$IUPAC": [ + 15 + ], + "CH$LINK": [ + 16, + 17, + 18, + 19, + 20, + 21, + 22 + ], + "AC$INSTRUMENT": [ + 23 + ], + "AC$INSTRUMENT_TYPE": [ + 24 + ], + "AC$MASS_SPECTROMETRY": [ + 25, + 26, + 27, + 28, + 29, + 30 + ], + "AC$CHROMATOGRAPHY": [ + 31, + 32, + 33, + 34, + 35, + 36 + ], + "MS$FOCUSED_ION": [ + 37, + 38, + 39 + ], + "MS$DATA_PROCESSING": [ + 40, + 41, + 42 + ], + "PK$SPLASH": [ + 43 + ], + "PK$ANNOTATION": [ + 44 + ], + "PK$NUM_PEAK": [ + 47 + ], + "PK$PEAK": [ + 48 + ] + }, + "source_headers": { + "ACCESSION": [ + "MSBNK-CASMI_2016-SM805752" + ], + "RECORD_TITLE": [ + "4-Iodphenol; LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M-H]-" + ], + "DATE": [ + "2016.12.12" + ], + "AUTHORS": [ + "Krauss M, Schymanski EL, Weidauer C, Schupke H, UFZ and Eawag" + ], + "LICENSE": [ + "CC BY" + ], + "COPYRIGHT": [ + "Copyright (C) 2016 UFZ/Eawag" + ], + "PUBLICATION": [ + "Schymanski, E. L.; Ruttkies, C.; Krauss, M.; Brouard, C.; Kind, T.; Dührkop, K.; Allen, F.; Vaniya, A.; Verdegem, D.; Böcker, S.; et al. Critical Assessment of Small Molecule Identification 2016: Automated Methods. Journal of Cheminformatics 2017, 9 (1). DOI:10.1186/s13321-017-0207-1" + ], + "COMMENT": [ + "CONFIDENCE Reference Standard (Level 1)", + "INTERNAL_ID 8057" + ], + "CH$NAME": [ + "4-Iodphenol" + ], + "CH$COMPOUND_CLASS": [ + "N/A; Environmental Standard" + ], + "CH$FORMULA": [ + "C6H5IO" + ], + "CH$EXACT_MASS": [ + "219.93851" + ], + "CH$SMILES": [ + "OC1=CC=C(I)C=C1" + ], + "CH$IUPAC": [ + "InChI=1S/C6H5IO/c7-5-1-3-6(8)4-2-5/h1-4,8H" + ], + "CH$LINK": [ + "CAS 540-38-5", + "CHEBI CHEBI:43521", + "PUBCHEM CID:10894", + "INCHIKEY VSMDINRNYYEDRN-UHFFFAOYSA-N", + "CHEMSPIDER 10432", + "COMPTOX DTXSID4052186", + "ChemOnt CHEMONTID:0002320; Organic compounds; Benzenoids; Phenols; Halophenols" + ], + "AC$INSTRUMENT": [ + "Q Exactive Plus Orbitrap Thermo Scientific" + ], + "AC$INSTRUMENT_TYPE": [ + "LC-ESI-QFT" + ], + "AC$MASS_SPECTROMETRY": [ + "MS_TYPE MS2", + "ION_MODE NEGATIVE", + "IONIZATION ESI", + "FRAGMENTATION_MODE HCD", + "COLLISION_ENERGY 35 (nominal)", + "RESOLUTION 35000" + ], + "AC$CHROMATOGRAPHY": [ + "COLUMN_NAME Kinetex C18 EVO 2.6 um, 2.1x50 mm, precolumn 2.1x5 mm, Phenomenex", + "FLOW_GRADIENT 95/5 at 0 min, 95/5 at 1 min, 0/100 at 13 min, 0/100 at 24 min", + "FLOW_RATE 300 uL/min", + "RETENTION_TIME 9.312 min", + "SOLVENT A water with 0.1% formic acid", + "SOLVENT B methanol with 0.1% formic acid" + ], + "MS$FOCUSED_ION": [ + "BASE_PEAK 91.0021", + "PRECURSOR_M/Z 218.9312", + "PRECURSOR_TYPE [M-H]-" + ], + "MS$DATA_PROCESSING": [ + "RECALIBRATE loess on assigned fragments and MS1", + "REANALYZE Peaks with additional N2/O included", + "WHOLE RMassBank 2.3.1" + ], + "PK$SPLASH": [ + "splash10-004i-0930000000-5df6d821adc32e252b27" + ], + "PK$ANNOTATION": [ + "m/z tentative_formula formula_count mass error(ppm)" + ], + "PK$NUM_PEAK": [ + "2" + ], + "PK$PEAK": [ + "m/z int. rel.int." + ] + }, + "limitations": [ + "Source Q Exactive Plus differs from target Exploris120. Fixed MS2 spectrum transfer requires explicit host acceptance.", + "35000 source resolving power is not a selectable Exploris120 resolving-power setting; resampling does not create original resolution.", + "Polarity/adduct and reported nominal NCE are retained, but record35 versus paper stepped20/35/50 remains unresolved; even nominally matching NCE requires explicit source-condition transfer acceptance.", + "Source intensity is not concentration calibration, detector count, current or FT transient.", + "Precursor formula and mass reference are not a certified calibrant assignment; current mass-scale and response require explicit model observations.", + "All MS1 isotope probabilities are theoretical natural-isotope references; no actual ESI response or solvent-specific adduct equilibrium is claimed.", + "A single-peak MS2 record is a valid reference but does not establish a rich structural fragmentation pattern or unique molecular structure." + ] + }, + "sm805801": { + "substance_id": "sm805801", + "accession": "MSBNK-CASMI_2016-SM805801", + "name_en": "4-Methoxy-1-Naphthaldehyde", + "names": [ + "4-Methoxy-1-Naphthaldehyde", + "4-methoxynaphthalene-1-carbaldehyde" + ], + "formula": "C12H10O2", + "element_counts": { + "C": 12, + "H": 10, + "O": 2 + }, + "inchikey": "MVXMNHYVCLMLDD-UHFFFAOYSA-N", + "inchi": "InChI=1S/C12H10O2/c1-14-12-7-6-9(8-13)10-4-2-3-5-11(10)12/h2-8H,1H3", + "smiles": "COC1=CC=C(C=O)C2=CC=CC=C12", + "cas": "15971-29-6", + "pubchem_cid": "CID:85217", + "molar_mass_kg_mol": 0.1862070481500173, + "molar_mass_evidence": "derived approximate average from NIST representative isotope composition, not current specimen isotopic mass", + "source_neutral_exact_mass_u": 186.06808, + "neutral_exact_mass_u": 186.06807956144002, + "neutral_exact_mass_evidence": "derived from most abundant NIST isotope of each element, source rounded CH$EXACT_MASS retained separately", + "precursor_mz": 187.0754, + "precursor_mz_si_kg_c": 1.938899893691975e-06, + 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not unprocessed detector electronics" + }, + "range_40_3000": { + "original_indices": [ + 0, + 1, + 2, + 3, + 4, + 5, + 6, + 7, + 8, + 9, + 10, + 11, + 12, + 13, + 14, + 15, + 16 + ], + "retained_raw_intensity_fraction": 1.0, + "meaning": "Fraction of sums of reported intensities, not analyte yield/ion count/charge/mass" + }, + "source": "massbank_sm805801", + "evidence": "measured_literature", + "source_field_lines": { + "ACCESSION": [ + 1 + ], + "RECORD_TITLE": [ + 2 + ], + "DATE": [ + 3 + ], + "AUTHORS": [ + 4 + ], + "LICENSE": [ + 5 + ], + "COPYRIGHT": [ + 6 + ], + "PUBLICATION": [ + 7 + ], + "COMMENT": [ + 8, + 9 + ], + "CH$NAME": [ + 10, + 11 + ], + "CH$COMPOUND_CLASS": [ + 12 + ], + "CH$FORMULA": [ + 13 + ], + "CH$EXACT_MASS": [ + 14 + ], + "CH$SMILES": [ + 15 + ], + "CH$IUPAC": [ + 16 + ], + "CH$LINK": [ + 17, + 18, + 19, + 20, + 21, + 22 + ], + "AC$INSTRUMENT": [ + 23 + ], + "AC$INSTRUMENT_TYPE": [ + 24 + ], + "AC$MASS_SPECTROMETRY": [ + 25, + 26, + 27, + 28, + 29, + 30 + ], + "AC$CHROMATOGRAPHY": [ + 31, + 32, + 33, + 34, + 35, + 36 + ], + "MS$FOCUSED_ION": [ + 37, + 38, + 39 + ], + "MS$DATA_PROCESSING": [ + 40, + 41, + 42 + ], + "PK$SPLASH": [ + 43 + ], + "PK$ANNOTATION": [ + 44 + ], + "PK$NUM_PEAK": [ + 62 + ], + "PK$PEAK": [ + 63 + ] + }, + "source_headers": { + "ACCESSION": [ + "MSBNK-CASMI_2016-SM805801" + ], + "RECORD_TITLE": [ + "4-Methoxy-1-Naphthaldehyde; LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M+H]+" + ], + "DATE": [ + "2016.12.12" + ], + "AUTHORS": [ + "Krauss M, Schymanski EL, Weidauer C, Schupke H, UFZ and Eawag" + ], + "LICENSE": [ + "CC BY" + ], + "COPYRIGHT": [ + "Copyright (C) 2016 UFZ/Eawag" + ], + "PUBLICATION": [ + "Schymanski, E. L.; Ruttkies, C.; Krauss, M.; Brouard, C.; Kind, T.; Dührkop, K.; Allen, F.; Vaniya, A.; Verdegem, D.; Böcker, S.; et al. Critical Assessment of Small Molecule Identification 2016: Automated Methods. Journal of Cheminformatics 2017, 9 (1). DOI:10.1186/s13321-017-0207-1" + ], + "COMMENT": [ + "CONFIDENCE standard compound", + "INTERNAL_ID 8058" + ], + "CH$NAME": [ + "4-Methoxy-1-Naphthaldehyde", + "4-methoxynaphthalene-1-carbaldehyde" + ], + "CH$COMPOUND_CLASS": [ + "N/A; Environmental Standard" + ], + "CH$FORMULA": [ + "C12H10O2" + ], + "CH$EXACT_MASS": [ + "186.06808" + ], + "CH$SMILES": [ + "COC1=CC=C(C=O)C2=CC=CC=C12" + ], + "CH$IUPAC": [ + "InChI=1S/C12H10O2/c1-14-12-7-6-9(8-13)10-4-2-3-5-11(10)12/h2-8H,1H3" + ], + "CH$LINK": [ + "CAS 15971-29-6", + "PUBCHEM CID:85217", + "INCHIKEY MVXMNHYVCLMLDD-UHFFFAOYSA-N", + "CHEMSPIDER 76852", + "COMPTOX DTXSID60166717", + "ChemOnt CHEMONTID:0000023; Organic compounds; Benzenoids; Naphthalenes" + ], + "AC$INSTRUMENT": [ + "Q Exactive Plus Orbitrap Thermo Scientific" + ], + "AC$INSTRUMENT_TYPE": [ + "LC-ESI-QFT" + ], + "AC$MASS_SPECTROMETRY": [ + "MS_TYPE MS2", + "ION_MODE POSITIVE", + "IONIZATION ESI", + "FRAGMENTATION_MODE HCD", + "COLLISION_ENERGY 35 (nominal)", + "RESOLUTION 35000" + ], + "AC$CHROMATOGRAPHY": [ + "COLUMN_NAME Kinetex C18 EVO 2.6 um, 2.1x50 mm, precolumn 2.1x5 mm, Phenomenex", + "FLOW_GRADIENT 95/5 at 0 min, 95/5 at 1 min, 0/100 at 13 min, 0/100 at 24 min", + "FLOW_RATE 300 uL/min", + "RETENTION_TIME 10.987 min", + "SOLVENT A water with 0.1% formic acid", + "SOLVENT B methanol with 0.1% formic acid" + ], + "MS$FOCUSED_ION": [ + "BASE_PEAK 187.0751", + "PRECURSOR_M/Z 187.0754", + "PRECURSOR_TYPE [M+H]+" + ], + "MS$DATA_PROCESSING": [ + "RECALIBRATE loess on assigned fragments and MS1", + "REANALYZE Peaks with additional N2/O included", + "WHOLE RMassBank 2.3.1" + ], + "PK$SPLASH": [ + "splash10-052u-0900000000-9e003898e2ed981feb90" + ], + "PK$ANNOTATION": [ + "m/z tentative_formula formula_count mass error(ppm)" + ], + "PK$NUM_PEAK": [ + "17" + ], + "PK$PEAK": [ + "m/z int. rel.int." + ] + }, + "limitations": [ + "Source Q Exactive Plus differs from target Exploris120. Fixed MS2 spectrum transfer requires explicit host acceptance.", + "35000 source resolving power is not a selectable Exploris120 resolving-power setting; resampling does not create original resolution.", + "Polarity/adduct and reported nominal NCE are retained, but record35 versus paper stepped20/35/50 remains unresolved; even nominally matching NCE requires explicit source-condition transfer acceptance.", + "Source intensity is not concentration calibration, detector count, current or FT transient.", + "Precursor formula and mass reference are not a certified calibrant assignment; current mass-scale and response require explicit model observations.", + "All MS1 isotope probabilities are theoretical natural-isotope references; no actual ESI response or solvent-specific adduct equilibrium is claimed.", + "A single-peak MS2 record is a valid reference but does not establish a rich structural fragmentation pattern or unique molecular structure." + ] + }, + "sm806006": { + "substance_id": "sm806006", + "accession": "MSBNK-CASMI_2016-SM806006", + "name_en": "Aniline", + "names": [ + "Aniline", + "Anilin" + ], + "formula": "C6H7N", + "element_counts": { + "C": 6, + "H": 7, + "N": 1 + }, + "inchikey": "PAYRUJLWNCNPSJ-UHFFFAOYSA-N", + "inchi": "InChI=1S/C6H7N/c7-6-4-2-1-3-5-6/h1-5H,7H2", + "smiles": "NC1=CC=CC=C1", + "cas": "62-53-3", + "pubchem_cid": "CID:6115", + "molar_mass_kg_mol": 0.09312670387024773, + "molar_mass_evidence": "derived approximate average from NIST representative isotope composition, not current specimen isotopic mass", + "source_neutral_exact_mass_u": 93.05785, + "neutral_exact_mass_u": 93.05784923004, + "neutral_exact_mass_evidence": "derived from most abundant NIST isotope of each element, source rounded CH$EXACT_MASS retained separately", + "precursor_mz": 94.0651, + "precursor_mz_si_kg_c": 9.74916062668448e-07, + "precursor_mz_evidence": "reported precursor selection/reference setting, not independently available MS1 centroid data", + "derived_precursor_mz": 94.0651256966189, + "precursor_charge": 1, + "precursor_type": "[M+H]+", + "polarity": "positive", + "ionization": "ESI", + "fragmentation_mode": "HCD", + "instrument_type": "LC-ESI-QFT", + "instrument": "Q Exactive Plus Orbitrap Thermo Scientific", + "collision_energy": { + "value": 35.0, + "unit": "NCE", + "fraction": 0.35, + "raw": "35 (nominal)", + "unit_evidence": "RECORD_TITLE explicitly names NCE; no conversion to eV or V", + "paper_stepped_nce": [ + 20.0, + 35.0, + 50.0 + ], + "single_energy_verified": false, + "conflict": "Record labels35 NCE but cited paper Methods reports stepped20/35/50; cannot infer this is a pure35 spectrum." + }, + "source_resolution_200": 35000.0, + "source_resolution_evidence": "35000 nominal MS/MS resolving power at m/z200 documented in CASMI publication methods", + "conditions": { + "chromatography_raw": [ + "COLUMN_NAME Kinetex C18 EVO 2.6 um, 2.1x50 mm, precolumn 2.1x5 mm, Phenomenex", + "FLOW_GRADIENT 95/5 at 0 min, 95/5 at 1 min, 0/100 at 13 min, 0/100 at 24 min", + "FLOW_RATE 300 uL/min", + "RETENTION_TIME 0.461 min", + "SOLVENT A water with 0.1% formic acid", + "SOLVENT B methanol with 0.1% formic acid" + ], + "spectrometry_raw": [ + "MS_TYPE MS2", + "ION_MODE POSITIVE", + "IONIZATION ESI", + "FRAGMENTATION_MODE HCD", + "COLLISION_ENERGY 35 (nominal)", + "RESOLUTION 35000" + ], + "data_processing_raw": [ + "RECALIBRATE loess on assigned fragments and MS1", + "REANALYZE Peaks with additional N2/O included", + "WHOLE RMassBank 2.3.1" + ], + "confidence_raw": [ + "CONFIDENCE standard compound", + "INTERNAL_ID 8060" + ], + "sample_concentration_kg_m3": null, + "temperature_k": null, + "electronic_profile_available": false, + "measured_on_exploris120": false + }, + "record_kind": "measured_processed_ms2_reference", + "physical_input_eligible": true, + "mass_reference_eligible": true, + "concentration_calibration_eligible": false, + "ms1_measured": null, + "single_peak_only": false, + "derived_ms1": { + "mass_to_charge_relative": [ + 94.0651256945789, + 95.0621605895789, + 95.0684805295789, + 95.07140244057891, + 96.0655154245789, + 96.0684373355789, + 96.0718353645789, + 96.0747572755789, + 96.0776791865789, + 97.0688702595789, + 97.0717921705789, + 97.0747140815789, + 97.0751901995789, + 97.0781121105789, + 97.0810340215789, + 98.0722250945789, + 98.0751470055789, + 98.0785450345789, + 98.0814669455789, + 98.0843888565789, + 99.07557992957891, + 99.0818998695789 + ], + "mass_to_charge_si_kg_c": [ + 9.749163289739925e-07, + 9.85249867493342e-07, + 9.853153690557823e-07, + 9.853456525293299e-07, + 9.956489075751317e-07, + 9.95679191048679e-07, + 9.957144091375718e-07, + 9.957446926111194e-07, + 9.957749760846668e-07, + 1.0060479476569212e-06, + 1.0060782311304688e-06, + 1.0061085146040162e-06, + 1.0061134492193616e-06, + 1.006143732692909e-06, + 1.0061740161664566e-06, + 1.0164469877387108e-06, + 1.0164772712122584e-06, + 1.0165124893011511e-06, + 1.0165427727746985e-06, + 1.016573056248246e-06, + 1.0268460278205005e-06, + 1.026911529382941e-06 + ], + "probability": [ + 0.9333288947446351, + 0.003409728588934192, + 0.06056779039988434, + 0.0007514161731293411, + 0.000221272187819241, + 2.745147206020717e-06, + 0.0016377119106407616, + 4.876267897998959e-05, + 2.5926839559511616e-07, + 5.983049655478313e-06, + 1.7814459782323869e-07, + 9.47184712319064e-10, + 2.3617396063015803e-05, + 1.3185097166832319e-06, + 1.682505912989635e-08, + 8.628138591410486e-08, + 4.8169089171855194e-09, + 1.9157950409956727e-07, + 1.9014190462630925e-08, + 2.3830094626657613e-10, + 6.998970200754997e-10, + 8.288287451189202e-10 + ], + "relative_intensity": [ + 1.0, + 0.0036532980047372433, + 0.06489436975639341, + 0.0008050925856473495, + 0.00023707847154971296, + 2.94124313677421e-06, + 0.0017546996775331277, + 5.2245975941129925e-05, + 2.777888877704292e-07, + 6.410440830844859e-06, + 1.9087011966127997e-07, + 1.014845589429887e-09, + 2.5304473263390906e-05, + 1.4126957004197162e-06, + 1.8026934797191506e-08, + 9.244478168407292e-08, + 5.160998383644232e-09, + 2.0526473055565764e-07, + 2.0372443808067606e-08, + 2.5532365665350675e-10, + 7.498932305819119e-10, + 8.880350215083538e-10 + ], + "retained_probability": 0.9999999994309176, + "excluded_probability": 5.690824478321588e-10, + "evidence": "derived", + "source": [ + "nist_isotopes", + "codata2022_u", + "codata2022_e", + "codata2022_me", + "codata2022_mp" + ], + "unit": "1", + "method": "Independent natural elemental abundances normalized per element; atomic masses each rounded once to 1e-9 u and exactly summed as integer nano-u during atom convolution; prune probability<1e-10 and cap4096 states after each atom. No renormalization of retained probabilities. Positive neutral molecule adds fixed CODATA proton; negative molecule loses one natural H atom and gains CODATA electron. Electron/proton binding-energy conventions are molecular mass approximations, not measured MS1 or isotope response.", + "physical_scope": "Derived isotope-composition probabilities, not response/ionization efficiency; instrument-resolved profile is synthetic." + }, + "ms2": { + "mass_to_charge_relative": [ + 51.0231, + 53.0388, + 55.018, + 67.0543, + 77.0386, + 81.0335, + 93.0573, + 94.0651, + 105.0447 + ], + "mass_to_charge_si_kg_c": [ + 5.288171676545126e-07, + 5.497084260226086e-07, + 5.702213885478532e-07, + 6.949688475427008e-07, + 7.984488251805344e-07, + 8.398530460738752e-07, + 9.644709516978832e-07, + 9.74916062668448e-07, + 1.0887115979060069e-06 + ], + "raw_intensity": [ + 426369.7, + 3910457.8, + 192011.8, + 230614.4, + 2392186.8, + 572681.6, + 655982.7, + 113483736.0, + 2787084.0 + ], + "raw_intensity_unit": "unspecified instrument intensity, not counts/A/C", + "published_relative_intensity": [ + 3, + 34, + 1, + 2, + 21, + 5, + 5, + 999, + 24 + ], + "relative_intensity": [ + 0.0037570996076477427, + 0.03445831039612584, + 0.001691976372720052, + 0.002032136129180661, + 0.02107955628108683, + 0.005046375984660921, + 0.005780411564878336, + 1.0, + 0.024559325399720715 + ], + "normalization": "all original raw-intensity values divided by their original maximum; full spectrum retained, no mass-domain renormalization", + "relative_intensity_unit": "1", + "evidence": "measured_literature", + "source": "massbank_sm806006", + "annotations_raw": [ + { + "line": 47, + "raw": " 51.0231 C4H3+ 1 51.0229 4.12" + }, + { + "line": 48, + "raw": " 53.0388 C4H5+ 1 53.0386 4.05" + }, + { + "line": 49, + "raw": " 55.018 C3H3O+ 1 55.0178 3.42" + }, + { + "line": 50, + "raw": " 67.0543 C5H7+ 1 67.0542 1.29" + }, + { + "line": 51, + "raw": " 77.0386 C6H5+ 1 77.0386 0.32" + }, + { + "line": 52, + "raw": " 81.0335 C5H5O+ 1 81.0335 0.19" + }, + { + "line": 53, + "raw": " 93.0573 C6H7N+ 1 93.0573 0.48" + }, + { + "line": 54, + "raw": " 94.0651 C6H8N+ 1 94.0651 -0.1" + }, + { + "line": 55, + "raw": " 105.0447 C6H5N2+ 1 105.0447 0.03" + } + ], + "source_peak_count": 9, + "original_acquisition_type": "processed centroid peak table, loess recalibrated by RMassBank; not unprocessed detector electronics" + }, + "range_40_3000": { + "original_indices": [ + 0, + 1, + 2, + 3, + 4, + 5, + 6, + 7, + 8 + ], + "retained_raw_intensity_fraction": 1.0, + "meaning": "Fraction of sums of reported intensities, not analyte yield/ion count/charge/mass" + }, + "source": "massbank_sm806006", + "evidence": "measured_literature", + "source_field_lines": { + "ACCESSION": [ + 1 + ], + "RECORD_TITLE": [ + 2 + ], + "DATE": [ + 3 + ], + "AUTHORS": [ + 4 + ], + "LICENSE": [ + 5 + ], + "COPYRIGHT": [ + 6 + ], + "PUBLICATION": [ + 7 + ], + "COMMENT": [ + 8, + 9 + ], + "CH$NAME": [ + 10, + 11 + ], + "CH$COMPOUND_CLASS": [ + 12 + ], + "CH$FORMULA": [ + 13 + ], + "CH$EXACT_MASS": [ + 14 + ], + "CH$SMILES": [ + 15 + ], + "CH$IUPAC": [ + 16 + ], + "CH$LINK": [ + 17, + 18, + 19, + 20, + 21, + 22, + 23, + 24 + ], + "AC$INSTRUMENT": [ + 25 + ], + "AC$INSTRUMENT_TYPE": [ + 26 + ], + "AC$MASS_SPECTROMETRY": [ + 27, + 28, + 29, + 30, + 31, + 32 + ], + "AC$CHROMATOGRAPHY": [ + 33, + 34, + 35, + 36, + 37, + 38 + ], + "MS$FOCUSED_ION": [ + 39, + 40, + 41 + ], + "MS$DATA_PROCESSING": [ + 42, + 43, + 44 + ], + "PK$SPLASH": [ + 45 + ], + "PK$ANNOTATION": [ + 46 + ], + "PK$NUM_PEAK": [ + 56 + ], + "PK$PEAK": [ + 57 + ] + }, + "source_headers": { + "ACCESSION": [ + "MSBNK-CASMI_2016-SM806006" + ], + "RECORD_TITLE": [ + "Aniline; LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M+H]+" + ], + "DATE": [ + "2016.12.12" + ], + "AUTHORS": [ + "Krauss M, Schymanski EL, Weidauer C, Schupke H, UFZ and Eawag" + ], + "LICENSE": [ + "CC BY" + ], + "COPYRIGHT": [ + "Copyright (C) 2016 UFZ/Eawag" + ], + "PUBLICATION": [ + "Schymanski, E. L.; Ruttkies, C.; Krauss, M.; Brouard, C.; Kind, T.; Dührkop, K.; Allen, F.; Vaniya, A.; Verdegem, D.; Böcker, S.; et al. Critical Assessment of Small Molecule Identification 2016: Automated Methods. Journal of Cheminformatics 2017, 9 (1). DOI:10.1186/s13321-017-0207-1" + ], + "COMMENT": [ + "CONFIDENCE standard compound", + "INTERNAL_ID 8060" + ], + "CH$NAME": [ + "Aniline", + "Anilin" + ], + "CH$COMPOUND_CLASS": [ + "N/A; Environmental Standard" + ], + "CH$FORMULA": [ + "C6H7N" + ], + "CH$EXACT_MASS": [ + "93.05785" + ], + "CH$SMILES": [ + "NC1=CC=CC=C1" + ], + "CH$IUPAC": [ + "InChI=1S/C6H7N/c7-6-4-2-1-3-5-6/h1-5H,7H2" + ], + "CH$LINK": [ + "CAS 62-53-3", + "CHEBI CHEBI:17296", + "KEGG C00292", + "PUBCHEM CID:6115", + "INCHIKEY PAYRUJLWNCNPSJ-UHFFFAOYSA-N", + "CHEMSPIDER 5889", + "COMPTOX DTXSID8020090", + "ChemOnt CHEMONTID:0000284; Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines" + ], + "AC$INSTRUMENT": [ + "Q Exactive Plus Orbitrap Thermo Scientific" + ], + "AC$INSTRUMENT_TYPE": [ + "LC-ESI-QFT" + ], + "AC$MASS_SPECTROMETRY": [ + "MS_TYPE MS2", + "ION_MODE POSITIVE", + "IONIZATION ESI", + "FRAGMENTATION_MODE HCD", + "COLLISION_ENERGY 35 (nominal)", + "RESOLUTION 35000" + ], + "AC$CHROMATOGRAPHY": [ + "COLUMN_NAME Kinetex C18 EVO 2.6 um, 2.1x50 mm, precolumn 2.1x5 mm, Phenomenex", + "FLOW_GRADIENT 95/5 at 0 min, 95/5 at 1 min, 0/100 at 13 min, 0/100 at 24 min", + "FLOW_RATE 300 uL/min", + "RETENTION_TIME 0.461 min", + "SOLVENT A water with 0.1% formic acid", + "SOLVENT B methanol with 0.1% formic acid" + ], + "MS$FOCUSED_ION": [ + "BASE_PEAK 112.0555", + "PRECURSOR_M/Z 94.0651", + "PRECURSOR_TYPE [M+H]+" + ], + "MS$DATA_PROCESSING": [ + "RECALIBRATE loess on assigned fragments and MS1", + "REANALYZE Peaks with additional N2/O included", + "WHOLE RMassBank 2.3.1" + ], + "PK$SPLASH": [ + "splash10-0006-9000000000-9cb3a369b8ef79740269" + ], + "PK$ANNOTATION": [ + "m/z tentative_formula formula_count mass error(ppm)" + ], + "PK$NUM_PEAK": [ + "9" + ], + "PK$PEAK": [ + "m/z int. rel.int." + ] + }, + "limitations": [ + "Source Q Exactive Plus differs from target Exploris120. Fixed MS2 spectrum transfer requires explicit host acceptance.", + "35000 source resolving power is not a selectable Exploris120 resolving-power setting; resampling does not create original resolution.", + "Polarity/adduct and reported nominal NCE are retained, but record35 versus paper stepped20/35/50 remains unresolved; even nominally matching NCE requires explicit source-condition transfer acceptance.", + "Source intensity is not concentration calibration, detector count, current or FT transient.", + "Precursor formula and mass reference are not a certified calibrant assignment; current mass-scale and response require explicit model observations.", + "All MS1 isotope probabilities are theoretical natural-isotope references; no actual ESI response or solvent-specific adduct equilibrium is claimed.", + "A single-peak MS2 record is a valid reference but does not establish a rich structural fragmentation pattern or unique molecular structure." + ] + }, + "sm806451": { + "substance_id": "sm806451", + "accession": "MSBNK-CASMI_2016-SM806451", + "name_en": "2,3,5-Trichlorphenol", + "names": [ + "2,3,5-Trichlorphenol" + ], + "formula": "C6H3Cl3O", + "element_counts": { + "C": 6, + "H": 3, + "Cl": 3, + "O": 1 + }, + "inchikey": "WWGQHTJIFOQAOC-UHFFFAOYSA-N", + "inchi": "InChI=1S/C6H3Cl3O/c7-3-1-4(8)6(9)5(10)2-3/h1-2,10H", + "smiles": "OC1=C(Cl)C(Cl)=CC(Cl)=C1", + "cas": "933-78-8", + "pubchem_cid": "CID:13619", + "molar_mass_kg_mol": 0.1974464553147211, + "molar_mass_evidence": "derived approximate average from NIST representative isotope composition, not current specimen isotopic mass", + "source_neutral_exact_mass_u": 195.92495, + "neutral_exact_mass_u": 195.92494776226, + "neutral_exact_mass_evidence": "derived from most abundant NIST isotope of each element, source rounded CH$EXACT_MASS retained separately", + "precursor_mz": 194.9177, + "precursor_mz_si_kg_c": 2.0201796057027495e-06, + "precursor_mz_evidence": "reported precursor selection/reference setting, not 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each rounded once to 1e-9 u and exactly summed as integer nano-u during atom convolution; prune probability<1e-10 and cap4096 states after each atom. No renormalization of retained probabilities. Positive neutral molecule adds fixed CODATA proton; negative molecule loses one natural H atom and gains CODATA electron. Electron/proton binding-energy conventions are molecular mass approximations, not measured MS1 or isotope response.", + "physical_scope": "Derived isotope-composition probabilities, not response/ionization efficiency; instrument-resolved profile is synthetic." + }, + "ms2": { + "mass_to_charge_relative": [ + 158.941, + 194.9176 + ], + "mass_to_charge_si_kg_c": [ + 1.6473073851682056e-06, + 2.020178569275783e-06 + ], + "raw_intensity": [ + 669642.8, + 3426373.8 + ], + "raw_intensity_unit": "unspecified instrument intensity, not counts/A/C", + "published_relative_intensity": [ + 195, + 999 + ], + "relative_intensity": [ + 0.1954377540477341, + 1.0 + ], + "normalization": "all original raw-intensity values divided by their original maximum; full spectrum retained, no mass-domain renormalization", + "relative_intensity_unit": "1", + "evidence": "measured_literature", + "source": "massbank_sm806451", + "annotations_raw": [ + { + "line": 44, + "raw": " 158.941 C6HCl2O- 1 158.941 -0.24" + }, + { + "line": 45, + "raw": " 194.9176 C6H2Cl3O- 1 194.9177 -0.31" + } + ], + "source_peak_count": 2, + "original_acquisition_type": "processed centroid peak table, loess recalibrated by RMassBank; not unprocessed detector electronics" + }, + "range_40_3000": { + "original_indices": [ + 0, + 1 + ], + "retained_raw_intensity_fraction": 1.0, + "meaning": "Fraction of sums of reported intensities, not analyte yield/ion count/charge/mass" + }, + "source": "massbank_sm806451", + "evidence": "measured_literature", + "source_field_lines": { + "ACCESSION": [ + 1 + ], + "RECORD_TITLE": [ + 2 + ], + "DATE": [ + 3 + ], + "AUTHORS": [ + 4 + ], + "LICENSE": [ + 5 + ], + "COPYRIGHT": [ + 6 + ], + "PUBLICATION": [ + 7 + ], + "COMMENT": [ + 8, + 9 + ], + "CH$NAME": [ + 10 + ], + "CH$COMPOUND_CLASS": [ + 11 + ], + "CH$FORMULA": [ + 12 + ], + "CH$EXACT_MASS": [ + 13 + ], + "CH$SMILES": [ + 14 + ], + "CH$IUPAC": [ + 15 + ], + "CH$LINK": [ + 16, + 17, + 18, + 19, + 20, + 21 + ], + "AC$INSTRUMENT": [ + 22 + ], + "AC$INSTRUMENT_TYPE": [ + 23 + ], + "AC$MASS_SPECTROMETRY": [ + 24, + 25, + 26, + 27, + 28, + 29 + ], + "AC$CHROMATOGRAPHY": [ + 30, + 31, + 32, + 33, + 34, + 35 + ], + "MS$FOCUSED_ION": [ + 36, + 37, + 38 + ], + "MS$DATA_PROCESSING": [ + 39, + 40, + 41 + ], + "PK$SPLASH": [ + 42 + ], + "PK$ANNOTATION": [ + 43 + ], + "PK$NUM_PEAK": [ + 46 + ], + "PK$PEAK": [ + 47 + ] + }, + "source_headers": { + "ACCESSION": [ + "MSBNK-CASMI_2016-SM806451" + ], + "RECORD_TITLE": [ + "2,3,5-Trichlorphenol; LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M-H]-" + ], + "DATE": [ + "2016.12.12" + ], + "AUTHORS": [ + "Krauss M, Schymanski EL, Weidauer C, Schupke H, UFZ and Eawag" + ], + "LICENSE": [ + "CC BY" + ], + "COPYRIGHT": [ + "Copyright (C) 2016 UFZ/Eawag" + ], + "PUBLICATION": [ + "Schymanski, E. L.; Ruttkies, C.; Krauss, M.; Brouard, C.; Kind, T.; Dührkop, K.; Allen, F.; Vaniya, A.; Verdegem, D.; Böcker, S.; et al. Critical Assessment of Small Molecule Identification 2016: Automated Methods. Journal of Cheminformatics 2017, 9 (1). DOI:10.1186/s13321-017-0207-1" + ], + "COMMENT": [ + "CONFIDENCE Reference Standard (Level 1)", + "INTERNAL_ID 8064" + ], + "CH$NAME": [ + "2,3,5-Trichlorphenol" + ], + "CH$COMPOUND_CLASS": [ + "N/A; Environmental Standard" + ], + "CH$FORMULA": [ + "C6H3Cl3O" + ], + "CH$EXACT_MASS": [ + "195.92495" + ], + "CH$SMILES": [ + "OC1=C(Cl)C(Cl)=CC(Cl)=C1" + ], + "CH$IUPAC": [ + "InChI=1S/C6H3Cl3O/c7-3-1-4(8)6(9)5(10)2-3/h1-2,10H" + ], + "CH$LINK": [ + "CAS 933-78-8", + "PUBCHEM CID:13619", + "INCHIKEY WWGQHTJIFOQAOC-UHFFFAOYSA-N", + "CHEMSPIDER 13030", + "COMPTOX DTXSID0026208", + "ChemOnt CHEMONTID:0002320; Organic compounds; Benzenoids; Phenols; Halophenols" + ], + "AC$INSTRUMENT": [ + "Q Exactive Plus Orbitrap Thermo Scientific" + ], + "AC$INSTRUMENT_TYPE": [ + "LC-ESI-QFT" + ], + "AC$MASS_SPECTROMETRY": [ + "MS_TYPE MS2", + "ION_MODE NEGATIVE", + "IONIZATION ESI", + "FRAGMENTATION_MODE HCD", + "COLLISION_ENERGY 35 (nominal)", + "RESOLUTION 35000" + ], + "AC$CHROMATOGRAPHY": [ + "COLUMN_NAME Kinetex C18 EVO 2.6 um, 2.1x50 mm, precolumn 2.1x5 mm, Phenomenex", + "FLOW_GRADIENT 95/5 at 0 min, 95/5 at 1 min, 0/100 at 13 min, 0/100 at 24 min", + "FLOW_RATE 300 uL/min", + "RETENTION_TIME 11.679 min", + "SOLVENT A water with 0.1% formic acid", + "SOLVENT B methanol with 0.1% formic acid" + ], + "MS$FOCUSED_ION": [ + "BASE_PEAK 194.9177", + "PRECURSOR_M/Z 194.9177", + "PRECURSOR_TYPE [M-H]-" + ], + "MS$DATA_PROCESSING": [ + "RECALIBRATE loess on assigned fragments and MS1", + "REANALYZE Peaks with additional N2/O included", + "WHOLE RMassBank 2.3.1" + ], + "PK$SPLASH": [ + "splash10-0006-0900000000-09ef88f960d04732aaa6" + ], + "PK$ANNOTATION": [ + "m/z tentative_formula formula_count mass error(ppm)" + ], + "PK$NUM_PEAK": [ + "2" + ], + "PK$PEAK": [ + "m/z int. rel.int." + ] + }, + "limitations": [ + "Source Q Exactive Plus differs from target Exploris120. Fixed MS2 spectrum transfer requires explicit host acceptance.", + "35000 source resolving power is not a selectable Exploris120 resolving-power setting; resampling does not create original resolution.", + "Polarity/adduct and reported nominal NCE are retained, but record35 versus paper stepped20/35/50 remains unresolved; even nominally matching NCE requires explicit source-condition transfer acceptance.", + "Source intensity is not concentration calibration, detector count, current or FT transient.", + "Precursor formula and mass reference are not a certified calibrant assignment; current mass-scale and response require explicit model observations.", + "All MS1 isotope probabilities are theoretical natural-isotope references; no actual ESI response or solvent-specific adduct equilibrium is claimed.", + "A single-peak MS2 record is a valid reference but does not establish a rich structural fragmentation pattern or unique molecular structure." + ] + }, + "sm806602": { + "substance_id": "sm806602", + "accession": "MSBNK-CASMI_2016-SM806602", + "name_en": "2,4,6-Trimethylpyridine", + "names": [ + "2,4,6-Trimethylpyridine", + "2,4,6-trimethylpyridin" + ], + "formula": "C8H11N", + "element_counts": { + "C": 8, + "H": 11, + "N": 1 + }, + "inchikey": "BWZVCCNYKMEVEX-UHFFFAOYSA-N", + "inchi": "InChI=1S/C8H11N/c1-6-4-7(2)9-8(3)5-6/h4-5H,1-3H3", + "smiles": "CC1=CC(C)=NC(C)=C1", + "cas": "108-75-8", + "pubchem_cid": "CID:7953", + "molar_mass_kg_mol": 0.12117993867994133, + "molar_mass_evidence": "derived approximate average from NIST representative isotope composition, not current specimen isotopic mass", + "source_neutral_exact_mass_u": 121.08915, + "neutral_exact_mass_u": 121.08914935896, + "neutral_exact_mass_evidence": "derived from most abundant NIST isotope of each element, source rounded CH$EXACT_MASS retained separately", + "precursor_mz": 122.0964, + "precursor_mz_si_kg_c": 1.2654400149895326e-06, + "precursor_mz_evidence": "reported precursor selection/reference setting, not independently available MS1 centroid data", + "derived_precursor_mz": 122.0964258255389, + "precursor_charge": 1, + "precursor_type": "[M+H]+", + "polarity": "positive", + "ionization": "ESI", + "fragmentation_mode": "HCD", + "instrument_type": "LC-ESI-QFT", + "instrument": "Q Exactive Plus Orbitrap Thermo Scientific", + "collision_energy": { + "value": 35.0, + "unit": "NCE", + "fraction": 0.35, + "raw": "35 (nominal)", + "unit_evidence": "RECORD_TITLE explicitly names NCE; 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atomic masses each rounded once to 1e-9 u and exactly summed as integer nano-u during atom convolution; prune probability<1e-10 and cap4096 states after each atom. No renormalization of retained probabilities. Positive neutral molecule adds fixed CODATA proton; negative molecule loses one natural H atom and gains CODATA electron. Electron/proton binding-energy conventions are molecular mass approximations, not measured MS1 or isotope response.", + "physical_scope": "Derived isotope-composition probabilities, not response/ionization efficiency; instrument-resolved profile is synthetic." + }, + "ms2": { + "mass_to_charge_relative": [ + 79.0542, + 81.0699, + 106.065, + 107.0728, + 121.0887, + 122.0964, + 124.0756 + ], + "mass_to_charge_si_kg_c": [ + 8.193390471216637e-07, + 8.402303054897599e-07, + 1.0992862622474108e-06, + 1.1097313732179756e-06, + 1.2549959404459346e-06, + 1.2654400149895326e-06, + 1.2859529775147773e-06 + ], + "raw_intensity": [ + 733249.6, + 520645.3, + 302187.6, + 612868.1, + 429672.6, + 223113008.0, + 311515.4 + ], + "raw_intensity_unit": "unspecified instrument intensity, not counts/A/C", + "published_relative_intensity": [ + 3, + 2, + 1, + 2, + 1, + 999, + 1 + ], + "relative_intensity": [ + 0.003286449349470471, + 0.0023335497318919206, + 0.0013544149787985467, + 0.0027468954208174183, + 0.001925807033178451, + 1.0, + 0.0013962224918773003 + ], + "normalization": "all original raw-intensity values divided by their original maximum; full spectrum retained, no mass-domain renormalization", + "relative_intensity_unit": "1", + "evidence": "measured_literature", + "source": "massbank_sm806602", + "annotations_raw": [ + { + "line": 45, + "raw": " 79.0542 C6H7+ 1 79.0542 0.14" + }, + { + "line": 46, + "raw": " 81.0699 C6H9+ 1 81.0699 -0.01" + }, + { + "line": 47, + "raw": " 106.065 C7H8N+ 1 106.0651 -1.15" + }, + { + "line": 48, + "raw": " 107.0728 C7H9N+ 1 107.073 -1.56" + }, + { + "line": 49, + "raw": " 121.0887 C8H11N+ 1 121.0886 0.95" + }, + { + "line": 50, + "raw": " 122.0964 C8H12N+ 1 122.0964 -0.17" + }, + { + "line": 51, + "raw": " 124.0756 C7H10NO+ 1 124.0757 -1.07" + } + ], + "source_peak_count": 7, + "original_acquisition_type": "processed centroid peak table, loess recalibrated by RMassBank; not unprocessed detector electronics" + }, + "range_40_3000": { + "original_indices": [ + 0, + 1, + 2, + 3, + 4, + 5, + 6 + ], + "retained_raw_intensity_fraction": 1.0, + "meaning": "Fraction of sums of reported intensities, not analyte yield/ion count/charge/mass" + }, + "source": "massbank_sm806602", + "evidence": "measured_literature", + "source_field_lines": { + "ACCESSION": [ + 1 + ], + "RECORD_TITLE": [ + 2 + ], + "DATE": [ + 3 + ], + "AUTHORS": [ + 4 + ], + "LICENSE": [ + 5 + ], + "COPYRIGHT": [ + 6 + ], + "PUBLICATION": [ + 7 + ], + "COMMENT": [ + 8, + 9 + ], + "CH$NAME": [ + 10, + 11 + ], + "CH$COMPOUND_CLASS": [ + 12 + ], + "CH$FORMULA": [ + 13 + ], + "CH$EXACT_MASS": [ + 14 + ], + "CH$SMILES": [ + 15 + ], + "CH$IUPAC": [ + 16 + ], + "CH$LINK": [ + 17, + 18, + 19, + 20, + 21, + 22 + ], + "AC$INSTRUMENT": [ + 23 + ], + "AC$INSTRUMENT_TYPE": [ + 24 + ], + "AC$MASS_SPECTROMETRY": [ + 25, + 26, + 27, + 28, + 29, + 30 + ], + "AC$CHROMATOGRAPHY": [ + 31, + 32, + 33, + 34, + 35, + 36 + ], + "MS$FOCUSED_ION": [ + 37, + 38, + 39 + ], + "MS$DATA_PROCESSING": [ + 40, + 41, + 42 + ], + "PK$SPLASH": [ + 43 + ], + "PK$ANNOTATION": [ + 44 + ], + "PK$NUM_PEAK": [ + 52 + ], + "PK$PEAK": [ + 53 + ] + }, + "source_headers": { + "ACCESSION": [ + "MSBNK-CASMI_2016-SM806602" + ], + "RECORD_TITLE": [ + "2,4,6-Trimethylpyridine; LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M+H]+" + ], + "DATE": [ + "2016.12.12" + ], + "AUTHORS": [ + "Krauss M, Schymanski EL, Weidauer C, Schupke H, UFZ and Eawag" + ], + "LICENSE": [ + "CC BY" + ], + "COPYRIGHT": [ + "Copyright (C) 2016 UFZ/Eawag" + ], + "PUBLICATION": [ + "Schymanski, E. L.; Ruttkies, C.; Krauss, M.; Brouard, C.; Kind, T.; Dührkop, K.; Allen, F.; Vaniya, A.; Verdegem, D.; Böcker, S.; et al. Critical Assessment of Small Molecule Identification 2016: Automated Methods. Journal of Cheminformatics 2017, 9 (1). DOI:10.1186/s13321-017-0207-1" + ], + "COMMENT": [ + "CONFIDENCE standard compound", + "INTERNAL_ID 8066" + ], + "CH$NAME": [ + "2,4,6-Trimethylpyridine", + "2,4,6-trimethylpyridin" + ], + "CH$COMPOUND_CLASS": [ + "N/A; Environmental Standard" + ], + "CH$FORMULA": [ + "C8H11N" + ], + "CH$EXACT_MASS": [ + "121.08915" + ], + "CH$SMILES": [ + "CC1=CC(C)=NC(C)=C1" + ], + "CH$IUPAC": [ + "InChI=1S/C8H11N/c1-6-4-7(2)9-8(3)5-6/h4-5H,1-3H3" + ], + "CH$LINK": [ + "CAS 108-75-8", + "PUBCHEM CID:7953", + "INCHIKEY BWZVCCNYKMEVEX-UHFFFAOYSA-N", + "CHEMSPIDER 21106174", + "COMPTOX DTXSID1051561", + "ChemOnt CHEMONTID:0004152; Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Methylpyridines" + ], + "AC$INSTRUMENT": [ + "Q Exactive Plus Orbitrap Thermo Scientific" + ], + "AC$INSTRUMENT_TYPE": [ + "LC-ESI-QFT" + ], + "AC$MASS_SPECTROMETRY": [ + "MS_TYPE MS2", + "ION_MODE POSITIVE", + "IONIZATION ESI", + "FRAGMENTATION_MODE HCD", + "COLLISION_ENERGY 35 (nominal)", + "RESOLUTION 35000" + ], + "AC$CHROMATOGRAPHY": [ + "COLUMN_NAME Kinetex C18 EVO 2.6 um, 2.1x50 mm, precolumn 2.1x5 mm, Phenomenex", + "FLOW_GRADIENT 95/5 at 0 min, 95/5 at 1 min, 0/100 at 13 min, 0/100 at 24 min", + "FLOW_RATE 300 uL/min", + "RETENTION_TIME 0.493 min", + "SOLVENT A water with 0.1% formic acid", + "SOLVENT B methanol with 0.1% formic acid" + ], + "MS$FOCUSED_ION": [ + "BASE_PEAK 122.0963", + "PRECURSOR_M/Z 122.0964", + "PRECURSOR_TYPE [M+H]+" + ], + "MS$DATA_PROCESSING": [ + "RECALIBRATE loess on assigned fragments and MS1", + "REANALYZE Peaks with additional N2/O included", + "WHOLE RMassBank 2.3.1" + ], + "PK$SPLASH": [ + "splash10-00di-0900000000-7777768790030831a03e" + ], + "PK$ANNOTATION": [ + "m/z tentative_formula formula_count mass error(ppm)" + ], + "PK$NUM_PEAK": [ + "7" + ], + "PK$PEAK": [ + "m/z int. rel.int." + ] + }, + "limitations": [ + "Source Q Exactive Plus differs from target Exploris120. 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No renormalization of retained probabilities. Positive neutral molecule adds fixed CODATA proton; negative molecule loses one natural H atom and gains CODATA electron. Electron/proton binding-energy conventions are molecular mass approximations, not measured MS1 or isotope response.", + "physical_scope": "Derived isotope-composition probabilities, not response/ionization efficiency; instrument-resolved profile is synthetic." + }, + "ms2": { + "mass_to_charge_relative": [ + 118.9656, + 132.9817, + 174.9723 + ], + "mass_to_charge_si_kg_c": [ + 1.2329915595155856e-06, + 1.3782581995974779e-06, + 1.8134601014833605e-06 + ], + "raw_intensity": [ + 78452.1, + 20810.5, + 328700.7 + ], + "raw_intensity_unit": "unspecified instrument intensity, not counts/A/C", + "published_relative_intensity": [ + 238, + 63, + 999 + ], + "relative_intensity": [ + 0.2386733584686616, + 0.06331139544272342, + 1.0 + ], + "normalization": "all original raw-intensity values divided by their original maximum; full spectrum retained, no mass-domain renormalization", + "relative_intensity_unit": "1", + "evidence": "measured_literature", + "source": "massbank_sm806853", + "annotations_raw": [ + { + "line": 44, + "raw": " 118.9656 C2ClN2O2- 1 118.9654 1.87" + }, + { + "line": 45, + "raw": " 132.9817 C3H2ClN2O2- 1 132.981 4.74" + }, + { + "line": 46, + "raw": " 174.9723 C7H5Cl2O- 1 174.9723 0.24" + } + ], + "source_peak_count": 3, + "original_acquisition_type": "processed centroid peak table, loess recalibrated by RMassBank; not unprocessed detector electronics" + }, + "range_40_3000": { + "original_indices": [ + 0, + 1, + 2 + ], + "retained_raw_intensity_fraction": 1.0, + "meaning": "Fraction of sums of reported intensities, not analyte yield/ion count/charge/mass" + }, + "source": "massbank_sm806853", + "evidence": "measured_literature", + "source_field_lines": { + "ACCESSION": [ + 1 + ], + "RECORD_TITLE": [ + 2 + ], + "DATE": [ + 3 + ], + "AUTHORS": [ + 4 + ], + "LICENSE": [ + 5 + ], + "COPYRIGHT": [ + 6 + ], + "PUBLICATION": [ + 7 + ], + "COMMENT": [ + 8, + 9 + ], + "CH$NAME": [ + 10 + ], + "CH$COMPOUND_CLASS": [ + 11 + ], + "CH$FORMULA": [ + 12 + ], + "CH$EXACT_MASS": [ + 13 + ], + "CH$SMILES": [ + 14 + ], + "CH$IUPAC": [ + 15 + ], + "CH$LINK": [ + 16, + 17, + 18, + 19, + 20, + 21 + ], + "AC$INSTRUMENT": [ + 22 + ], + "AC$INSTRUMENT_TYPE": [ + 23 + ], + "AC$MASS_SPECTROMETRY": [ + 24, + 25, + 26, + 27, + 28, + 29 + ], + "AC$CHROMATOGRAPHY": [ + 30, + 31, + 32, + 33, + 34, + 35 + ], + "MS$FOCUSED_ION": [ + 36, + 37, + 38 + ], + "MS$DATA_PROCESSING": [ + 39, + 40, + 41 + ], + "PK$SPLASH": [ + 42 + ], + "PK$ANNOTATION": [ + 43 + ], + "PK$NUM_PEAK": [ + 47 + ], + "PK$PEAK": [ + 48 + ] + }, + "source_headers": { + "ACCESSION": [ + "MSBNK-CASMI_2016-SM806853" + ], + "RECORD_TITLE": [ + "2,4-Dichloro-6-Methylphenol; LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M-H]-" + ], + "DATE": [ + "2016.12.12" + ], + "AUTHORS": [ + "Krauss M, Schymanski EL, Weidauer C, Schupke H, UFZ and Eawag" + ], + "LICENSE": [ + "CC BY" + ], + "COPYRIGHT": [ + "Copyright (C) 2016 UFZ/Eawag" + ], + "PUBLICATION": [ + "Schymanski, E. L.; Ruttkies, C.; Krauss, M.; Brouard, C.; Kind, T.; Dührkop, K.; Allen, F.; Vaniya, A.; Verdegem, D.; Böcker, S.; et al. Critical Assessment of Small Molecule Identification 2016: Automated Methods. Journal of Cheminformatics 2017, 9 (1). DOI:10.1186/s13321-017-0207-1" + ], + "COMMENT": [ + "CONFIDENCE Reference Standard (Level 1)", + "INTERNAL_ID 8068" + ], + "CH$NAME": [ + "2,4-Dichloro-6-Methylphenol" + ], + "CH$COMPOUND_CLASS": [ + "N/A; Environmental Standard" + ], + "CH$FORMULA": [ + "C7H6Cl2O" + ], + "CH$EXACT_MASS": [ + "175.97957" + ], + "CH$SMILES": [ + "CC1=CC(Cl)=CC(Cl)=C1O" + ], + "CH$IUPAC": [ + "InChI=1S/C7H6Cl2O/c1-4-2-5(8)3-6(9)7(4)10/h2-3,10H,1H3" + ], + "CH$LINK": [ + "CAS 1570-65-6", + "PUBCHEM CID:15292", + "INCHIKEY WJQZZLQMLJPKQH-UHFFFAOYSA-N", + "CHEMSPIDER 14557", + "COMPTOX DTXSID5061790", + "ChemOnt CHEMONTID:0000035; Organic compounds; Benzenoids; Benzene and substituted derivatives; Halobenzenes" + ], + "AC$INSTRUMENT": [ + "Q Exactive Plus Orbitrap Thermo Scientific" + ], + "AC$INSTRUMENT_TYPE": [ + "LC-ESI-QFT" + ], + "AC$MASS_SPECTROMETRY": [ + "MS_TYPE MS2", + "ION_MODE NEGATIVE", + "IONIZATION ESI", + "FRAGMENTATION_MODE HCD", + "COLLISION_ENERGY 35 (nominal)", + "RESOLUTION 35000" + ], + "AC$CHROMATOGRAPHY": [ + "COLUMN_NAME Kinetex C18 EVO 2.6 um, 2.1x50 mm, precolumn 2.1x5 mm, Phenomenex", + "FLOW_GRADIENT 95/5 at 0 min, 95/5 at 1 min, 0/100 at 13 min, 0/100 at 24 min", + "FLOW_RATE 300 uL/min", + "RETENTION_TIME 11.166 min", + "SOLVENT A water with 0.1% formic acid", + "SOLVENT B methanol with 0.1% formic acid" + ], + "MS$FOCUSED_ION": [ + "BASE_PEAK 112.9847", + "PRECURSOR_M/Z 174.9723", + "PRECURSOR_TYPE [M-H]-" + ], + "MS$DATA_PROCESSING": [ + "RECALIBRATE loess on assigned fragments and MS1", + "REANALYZE Peaks with additional N2/O included", + "WHOLE RMassBank 2.3.1" + ], + "PK$SPLASH": [ + "splash10-00di-0900000000-88e9e0883bd5acd3b008" + ], + "PK$ANNOTATION": [ + "m/z tentative_formula formula_count mass error(ppm)" + ], + "PK$NUM_PEAK": [ + "3" + ], + "PK$PEAK": [ + "m/z int. rel.int." + ] + }, + "limitations": [ + "Source Q Exactive Plus differs from target Exploris120. Fixed MS2 spectrum transfer requires explicit host acceptance.", + "35000 source resolving power is not a selectable Exploris120 resolving-power setting; resampling does not create original resolution.", + "Polarity/adduct and reported nominal NCE are retained, but record35 versus paper stepped20/35/50 remains unresolved; even nominally matching NCE requires explicit source-condition transfer acceptance.", + "Source intensity is not concentration calibration, detector count, current or FT transient.", + "Precursor formula and mass reference are not a certified calibrant assignment; current mass-scale and response require explicit model observations.", + "All MS1 isotope probabilities are theoretical natural-isotope references; no actual ESI response or solvent-specific adduct equilibrium is claimed.", + "A single-peak MS2 record is a valid reference but does not establish a rich structural fragmentation pattern or unique molecular structure." + ] + }, + "sm807051": { + "substance_id": "sm807051", + "accession": "MSBNK-CASMI_2016-SM807051", + "name_en": "2,4-Dinitrophenol", + "names": [ + "2,4-Dinitrophenol" + ], + "formula": "C6H4N2O5", + "element_counts": { + "C": 6, + "H": 4, + "N": 2, + "O": 5 + }, + "inchikey": "UFBJCMHMOXMLKC-UHFFFAOYSA-N", + "inchi": "InChI=1S/C6H4N2O5/c9-6-2-1-4(7(10)11)3-5(6)8(12)13/h1-3,9H", + "smiles": "OC1=C(C=C(C=C1)[N+]([O-])=O)[N+]([O-])=O", + "cas": "51-28-5", + "pubchem_cid": "CID:1493", + "molar_mass_kg_mol": 0.18410660944111756, + "molar_mass_evidence": "derived approximate average from NIST representative isotope composition, not current specimen isotopic mass", + "source_neutral_exact_mass_u": 184.01202, + "neutral_exact_mass_u": 184.01202123563, + "neutral_exact_mass_evidence": "derived from most abundant NIST isotope of each element, source rounded CH$EXACT_MASS retained separately", + "precursor_mz": 183.0047, + "precursor_mz_si_kg_c": 1.8967100611578632e-06, + "precursor_mz_evidence": "reported precursor selection/reference 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L.; Ruttkies, C.; Krauss, M.; Brouard, C.; Kind, T.; Dührkop, K.; Allen, F.; Vaniya, A.; Verdegem, D.; Böcker, S.; et al. Critical Assessment of Small Molecule Identification 2016: Automated Methods. Journal of Cheminformatics 2017, 9 (1). DOI:10.1186/s13321-017-0207-1" + ], + "COMMENT": [ + "CONFIDENCE Reference Standard (Level 1)", + "INTERNAL_ID 8070" + ], + "CH$NAME": [ + "2,4-Dinitrophenol" + ], + "CH$COMPOUND_CLASS": [ + "N/A; Environmental Standard" + ], + "CH$FORMULA": [ + "C6H4N2O5" + ], + "CH$EXACT_MASS": [ + "184.01202" + ], + "CH$SMILES": [ + "OC1=C(C=C(C=C1)[N+]([O-])=O)[N+]([O-])=O" + ], + "CH$IUPAC": [ + "InChI=1S/C6H4N2O5/c9-6-2-1-4(7(10)11)3-5(6)8(12)13/h1-3,9H" + ], + "CH$LINK": [ + "CAS 51-28-5", + "CHEBI CHEBI:42017", + "KEGG C02496", + "PUBCHEM CID:1493", + "INCHIKEY UFBJCMHMOXMLKC-UHFFFAOYSA-N", + "CHEMSPIDER 1448", + "COMPTOX DTXSID0020523", + "ChemOnt CHEMONTID:0000141; Organic compounds; Benzenoids; Phenols; Nitrophenols" + ], + "AC$INSTRUMENT": [ + "Q Exactive Plus Orbitrap Thermo Scientific" + ], + "AC$INSTRUMENT_TYPE": [ + "LC-ESI-QFT" + ], + "AC$MASS_SPECTROMETRY": [ + "MS_TYPE MS2", + "ION_MODE NEGATIVE", + "IONIZATION ESI", + "FRAGMENTATION_MODE HCD", + "COLLISION_ENERGY 35 (nominal)", + "RESOLUTION 35000" + ], + "AC$CHROMATOGRAPHY": [ + "COLUMN_NAME Kinetex C18 EVO 2.6 um, 2.1x50 mm, precolumn 2.1x5 mm, Phenomenex", + "FLOW_GRADIENT 95/5 at 0 min, 95/5 at 1 min, 0/100 at 13 min, 0/100 at 24 min", + "FLOW_RATE 300 uL/min", + "RETENTION_TIME 6.228 min", + "SOLVENT A water with 0.1% formic acid", + "SOLVENT B methanol with 0.1% formic acid" + ], + "MS$FOCUSED_ION": [ + "BASE_PEAK 183.0048", + "PRECURSOR_M/Z 183.0047", + "PRECURSOR_TYPE [M-H]-" + ], + "MS$DATA_PROCESSING": [ + "RECALIBRATE loess on assigned fragments and MS1", + "REANALYZE Peaks with additional N2/O included", + "WHOLE RMassBank 2.3.1" + ], + "PK$SPLASH": [ + "splash10-001i-0900000000-3a8e56d08e6de49313c9" + ], + "PK$ANNOTATION": [ + "m/z tentative_formula formula_count mass error(ppm)" + ], + "PK$NUM_PEAK": [ + "9" + ], + "PK$PEAK": [ + "m/z int. rel.int." + ] + }, + "limitations": [ + "Source Q Exactive Plus differs from target Exploris120. Fixed MS2 spectrum transfer requires explicit host acceptance.", + "35000 source resolving power is not a selectable Exploris120 resolving-power setting; resampling does not create original resolution.", + "Polarity/adduct and reported nominal NCE are retained, but record35 versus paper stepped20/35/50 remains unresolved; even nominally matching NCE requires explicit source-condition transfer acceptance.", + "Source intensity is not concentration calibration, detector count, current or FT transient.", + "Precursor formula and mass reference are not a certified calibrant assignment; current mass-scale and response require explicit model observations.", + "All MS1 isotope probabilities are theoretical natural-isotope references; no actual ESI response or solvent-specific adduct equilibrium is claimed.", + "A single-peak MS2 record is a valid reference but does not establish a rich structural fragmentation pattern or unique molecular structure." + ] + }, + "sm807301": { + "substance_id": "sm807301", + "accession": "MSBNK-CASMI_2016-SM807301", + "name_en": "2,6-Dimethylpyridine", + "names": [ + "2,6-Dimethylpyridine", + "2,6-dimethylpyridine" + ], + "formula": "C7H9N", + "element_counts": { + "C": 7, + "H": 9, + "N": 1 + }, + "inchikey": "OISVCGZHLKNMSJ-UHFFFAOYSA-N", + "inchi": "InChI=1S/C7H9N/c1-6-4-3-5-7(2)8-6/h3-5H,1-2H3", + "smiles": "CC1=CC=CC(C)=N1", + "cas": "108-48-5", + "pubchem_cid": "CID:7937", + "molar_mass_kg_mol": 0.10715332127509454, + "molar_mass_evidence": "derived approximate average from NIST representative isotope composition, not current specimen isotopic mass", + "source_neutral_exact_mass_u": 107.0735, + "neutral_exact_mass_u": 107.0734992945, + "neutral_exact_mass_evidence": "derived from most abundant NIST isotope of each element, source rounded CH$EXACT_MASS retained separately", + "precursor_mz": 108.0808, + "precursor_mz_si_kg_c": 1.1201785570424735e-06, + "precursor_mz_evidence": "reported precursor selection/reference setting, not independently available MS1 centroid data", + "derived_precursor_mz": 108.0807757610789, + "precursor_charge": 1, + "precursor_type": "[M+H]+", + "polarity": "positive", + "ionization": "ESI", + "fragmentation_mode": "HCD", + "instrument_type": "LC-ESI-QFT", + "instrument": "Q Exactive Plus Orbitrap Thermo Scientific", + "collision_energy": { + "value": 35.0, + "unit": "NCE", + "fraction": 0.35, + "raw": "35 (nominal)", + "unit_evidence": "RECORD_TITLE explicitly names NCE; no conversion to eV or V", + "paper_stepped_nce": [ + 20.0, + 35.0, + 50.0 + ], + "single_energy_verified": false, + "conflict": "Record labels35 NCE but cited paper Methods reports stepped20/35/50; cannot infer this is a pure35 spectrum." + }, + "source_resolution_200": 35000.0, + "source_resolution_evidence": "35000 nominal MS/MS resolving power at m/z200 documented in CASMI publication methods", + "conditions": { + "chromatography_raw": [ + "COLUMN_NAME Kinetex C18 EVO 2.6 um, 2.1x50 mm, precolumn 2.1x5 mm, Phenomenex", + "FLOW_GRADIENT 95/5 at 0 min, 95/5 at 1 min, 0/100 at 13 min, 0/100 at 24 min", + "FLOW_RATE 300 uL/min", + "RETENTION_TIME 0.437 min", + "SOLVENT A water with 0.1% formic acid", + "SOLVENT B methanol with 0.1% formic acid" + ], + "spectrometry_raw": [ + "MS_TYPE MS2", + "ION_MODE POSITIVE", + "IONIZATION ESI", + "FRAGMENTATION_MODE HCD", + "COLLISION_ENERGY 35 (nominal)", + "RESOLUTION 35000" + ], + "data_processing_raw": [ + "RECALIBRATE loess on assigned fragments and MS1", + "REANALYZE Peaks with additional N2/O included", + "WHOLE RMassBank 2.3.1" + ], + "confidence_raw": [ + "CONFIDENCE standard compound", + "INTERNAL_ID 8073" + ], + "sample_concentration_kg_m3": null, + "temperature_k": null, + "electronic_profile_available": false, + "measured_on_exploris120": false + }, + "record_kind": "measured_processed_ms2_reference", + "physical_input_eligible": true, + "mass_reference_eligible": true, + "concentration_calibration_eligible": false, + "ms1_measured": null, + "single_peak_only": false, + "derived_ms1": { + "mass_to_charge_relative": [ + 108.0807757585789, + 109.07781065357891, + 109.0841305935789, + 109.0870525045789, + 110.0811654885789, + 110.0840873995789, + 110.0874854285789, + 110.0904073395789, + 110.0933292505789, + 111.0845203235789, + 111.0874422345789, + 111.0903641455789, + 111.0908402635789, + 111.0937621745789, + 111.0966840855789, + 112.0878751585789, + 112.0907970695789, + 112.0937189805789, + 112.09419509857891, + 112.0971170095789, + 112.1000389205789, + 113.0912299935789, + 113.09415190457891, + 113.0975499335789 + ], + "mass_to_charge_si_kg_c": [ + 1.1201783057978481e-06, + 1.1305118443171977e-06, + 1.130577345879638e-06, + 1.1306076293531853e-06, + 1.1409108843989873e-06, + 1.1409411678725347e-06, + 1.1409763859614275e-06, + 1.141006669434975e-06, + 1.1410369529085224e-06, + 1.1513099244807768e-06, + 1.1513402079543244e-06, + 1.1513704914278718e-06, + 1.151375426043217e-06, + 1.1514057095167646e-06, + 1.151435992990312e-06, + 1.1617089645625664e-06, + 1.1617392480361138e-06, + 1.1617695315096614e-06, + 1.1617744661250068e-06, + 1.1618047495985541e-06, + 1.1618350330721017e-06, + 1.1721080046443562e-06, + 1.1721382881179038e-06, + 1.1721735062067965e-06 + ], + "probability": [ + 0.9231299190586878, + 0.0033724686914103573, + 0.06989025668401466, + 0.0009555493544014981, + 0.00025532993529428456, + 3.4909065498629545e-06, + 0.0022677420798108473, + 7.234473531251613e-05, + 4.3960325739929e-07, + 8.284737615431656e-06, + 2.6429687717045914e-07, + 1.6060017031328191e-09, + 4.0878803622049355e-05, + 2.3473830016494166e-06, + 3.328240572041526e-08, + 1.493424517084785e-07, + 8.575689636279935e-09, + 1.215905464112485e-10, + 4.4213403290804417e-07, + 4.231442790803051e-08, + 8.999336430012215e-10, + 1.6152473802493886e-09, + 1.545872150480058e-10, + 2.869200941342004e-09 + ], + "relative_intensity": [ + 1.0, + 0.0036532980047372437, + 0.07571009804912564, + 0.0010351190386894494, + 0.00027659155014133176, + 3.7815983187096992e-06, + 0.0024565795485463797, + 7.83689639116949e-05, + 4.7620952189216425e-07, + 8.974617163182808e-06, + 2.8630517949191995e-07, + 1.7397352961655205e-09, + 4.428282821093408e-05, + 2.5428522607554897e-06, + 3.6053869594383e-08, + 1.617783679471276e-07, + 9.28979709055962e-09, + 1.3171552985221617e-10, + 4.789510379632009e-07, + 4.5837998568152117e-08, + 9.748721435861168e-10, + 1.7497508713577938e-09, + 1.6745986871017874e-10, + 3.108122575279239e-09 + ], + "retained_probability": 0.9999999991854248, + "excluded_probability": 8.145751850818783e-10, + "evidence": "derived", + "source": [ + "nist_isotopes", + "codata2022_u", + "codata2022_e", + "codata2022_me", + "codata2022_mp" + ], + "unit": "1", + "method": "Independent natural elemental abundances normalized per element; atomic masses each rounded once to 1e-9 u and exactly summed as integer nano-u during atom convolution; prune probability<1e-10 and cap4096 states after each atom. No renormalization of retained probabilities. Positive neutral molecule adds fixed CODATA proton; negative molecule loses one natural H atom and gains CODATA electron. Electron/proton binding-energy conventions are molecular mass approximations, not measured MS1 or isotope response.", + "physical_scope": "Derived isotope-composition probabilities, not response/ionization efficiency; instrument-resolved profile is synthetic." + }, + "ms2": { + "mass_to_charge_relative": [ + 65.0386, + 67.0543, + 91.0542, + 92.0495, + 93.0571, + 107.073, + 108.0807, + 110.06 + ], + "mass_to_charge_si_kg_c": [ + 6.740775891746049e-07, + 6.949688475427008e-07, + 9.437102831275934e-07, + 9.540258407273184e-07, + 9.6446887884395e-07, + 1.1097334460719088e-06, + 1.120177520615507e-06, + 1.1406915195677183e-06 + ], + "raw_intensity": [ + 2049406.9, + 5668716.0, + 65472456.0, + 1067951.2, + 1778236.2, + 1010293.4, + 767106880.0, + 3063149.5 + ], + "raw_intensity_unit": "unspecified instrument intensity, not counts/A/C", + "published_relative_intensity": [ + 2, + 7, + 85, + 1, + 2, + 1, + 999, + 3 + ], + "relative_intensity": [ + 0.002671605422180544, + 0.007389734270144989, + 0.0853498485113313, + 0.0013921804481795287, + 0.0023181074845789414, + 0.0013170177798431427, + 1.0, + 0.003993119576766148 + ], + "normalization": "all original raw-intensity values divided by their original maximum; full spectrum retained, no mass-domain renormalization", + "relative_intensity_unit": "1", + "evidence": "measured_literature", + "source": "massbank_sm807301", + "annotations_raw": [ + { + "line": 46, + "raw": " 65.0386 C5H5+ 1 65.0386 0.63" + }, + { + "line": 47, + "raw": " 67.0543 C5H7+ 1 67.0542 0.73" + }, + { + "line": 48, + "raw": " 91.0542 C7H7+ 1 91.0542 -0.59" + }, + { + "line": 49, + "raw": " 92.0495 C6H6N+ 1 92.0495 0.67" + }, + { + "line": 50, + "raw": " 93.0571 C6H7N+ 1 93.0573 -2.3" + }, + { + "line": 51, + "raw": " 107.073 C7H9N+ 1 107.073 0.86" + }, + { + "line": 52, + "raw": " 108.0807 C7H10N+ 1 108.0808 -0.76" + }, + { + "line": 53, + "raw": " 110.06 C6H8NO+ 1 110.06 -0.52" + } + ], + "source_peak_count": 8, + "original_acquisition_type": "processed centroid peak table, loess recalibrated by RMassBank; not unprocessed detector electronics" + }, + "range_40_3000": { + "original_indices": [ + 0, + 1, + 2, + 3, + 4, + 5, + 6, + 7 + ], + "retained_raw_intensity_fraction": 1.0, + "meaning": "Fraction of sums of reported intensities, not analyte yield/ion count/charge/mass" + }, + "source": "massbank_sm807301", + "evidence": "measured_literature", + "source_field_lines": { + "ACCESSION": [ + 1 + ], + "RECORD_TITLE": [ + 2 + ], + "DATE": [ + 3 + ], + "AUTHORS": [ + 4 + ], + "LICENSE": [ + 5 + ], + "COPYRIGHT": [ + 6 + ], + "PUBLICATION": [ + 7 + ], + "COMMENT": [ + 8, + 9 + ], + "CH$NAME": [ + 10, + 11 + ], + "CH$COMPOUND_CLASS": [ + 12 + ], + "CH$FORMULA": [ + 13 + ], + "CH$EXACT_MASS": [ + 14 + ], + "CH$SMILES": [ + 15 + ], + "CH$IUPAC": [ + 16 + ], + "CH$LINK": [ + 17, + 18, + 19, + 20, + 21, + 22, + 23 + ], + "AC$INSTRUMENT": [ + 24 + ], + "AC$INSTRUMENT_TYPE": [ + 25 + ], + "AC$MASS_SPECTROMETRY": [ + 26, + 27, + 28, + 29, + 30, + 31 + ], + "AC$CHROMATOGRAPHY": [ + 32, + 33, + 34, + 35, + 36, + 37 + ], + "MS$FOCUSED_ION": [ + 38, + 39, + 40 + ], + "MS$DATA_PROCESSING": [ + 41, + 42, + 43 + ], + "PK$SPLASH": [ + 44 + ], + "PK$ANNOTATION": [ + 45 + ], + "PK$NUM_PEAK": [ + 54 + ], + "PK$PEAK": [ + 55 + ] + }, + "source_headers": { + "ACCESSION": [ + "MSBNK-CASMI_2016-SM807301" + ], + "RECORD_TITLE": [ + "2,6-Dimethylpyridine; LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M+H]+" + ], + "DATE": [ + "2016.12.12" + ], + "AUTHORS": [ + "Krauss M, Schymanski EL, Weidauer C, Schupke H, UFZ and Eawag" + ], + "LICENSE": [ + "CC BY" + ], + "COPYRIGHT": [ + "Copyright (C) 2016 UFZ/Eawag" + ], + "PUBLICATION": [ + "Schymanski, E. L.; Ruttkies, C.; Krauss, M.; Brouard, C.; Kind, T.; Dührkop, K.; Allen, F.; Vaniya, A.; Verdegem, D.; Böcker, S.; et al. Critical Assessment of Small Molecule Identification 2016: Automated Methods. Journal of Cheminformatics 2017, 9 (1). DOI:10.1186/s13321-017-0207-1" + ], + "COMMENT": [ + "CONFIDENCE standard compound", + "INTERNAL_ID 8073" + ], + "CH$NAME": [ + "2,6-Dimethylpyridine", + "2,6-dimethylpyridine" + ], + "CH$COMPOUND_CLASS": [ + "N/A; Environmental Standard" + ], + "CH$FORMULA": [ + "C7H9N" + ], + "CH$EXACT_MASS": [ + "107.07350" + ], + "CH$SMILES": [ + "CC1=CC=CC(C)=N1" + ], + "CH$IUPAC": [ + "InChI=1S/C7H9N/c1-6-4-3-5-7(2)8-6/h3-5H,1-2H3" + ], + "CH$LINK": [ + "CAS 108-48-5", + "CHEBI CHEBI:32548", + "PUBCHEM CID:7937", + "INCHIKEY OISVCGZHLKNMSJ-UHFFFAOYSA-N", + "CHEMSPIDER 13842613", + "COMPTOX DTXSID7051557", + "ChemOnt CHEMONTID:0004152; Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Methylpyridines" + ], + "AC$INSTRUMENT": [ + "Q Exactive Plus Orbitrap Thermo Scientific" + ], + "AC$INSTRUMENT_TYPE": [ + "LC-ESI-QFT" + ], + "AC$MASS_SPECTROMETRY": [ + "MS_TYPE MS2", + "ION_MODE POSITIVE", + "IONIZATION ESI", + "FRAGMENTATION_MODE HCD", + "COLLISION_ENERGY 35 (nominal)", + "RESOLUTION 35000" + ], + "AC$CHROMATOGRAPHY": [ + "COLUMN_NAME Kinetex C18 EVO 2.6 um, 2.1x50 mm, precolumn 2.1x5 mm, Phenomenex", + "FLOW_GRADIENT 95/5 at 0 min, 95/5 at 1 min, 0/100 at 13 min, 0/100 at 24 min", + "FLOW_RATE 300 uL/min", + "RETENTION_TIME 0.437 min", + "SOLVENT A water with 0.1% formic acid", + "SOLVENT B methanol with 0.1% formic acid" + ], + "MS$FOCUSED_ION": [ + "BASE_PEAK 122.0962", + "PRECURSOR_M/Z 108.0808", + "PRECURSOR_TYPE [M+H]+" + ], + "MS$DATA_PROCESSING": [ + "RECALIBRATE loess on assigned fragments and MS1", + "REANALYZE Peaks with additional N2/O included", + "WHOLE RMassBank 2.3.1" + ], + "PK$SPLASH": [ + "splash10-0a4i-0900000000-de01e2fbc1afc209a498" + ], + "PK$ANNOTATION": [ + "m/z tentative_formula formula_count mass error(ppm)" + ], + "PK$NUM_PEAK": [ + "8" + ], + "PK$PEAK": [ + "m/z int. rel.int." + ] + }, + "limitations": [ + "Source Q Exactive Plus differs from target Exploris120. Fixed MS2 spectrum transfer requires explicit host acceptance.", + "35000 source resolving power is not a selectable Exploris120 resolving-power setting; resampling does not create original resolution.", + "Polarity/adduct and reported nominal NCE are retained, but record35 versus paper stepped20/35/50 remains unresolved; even nominally matching NCE requires explicit source-condition transfer acceptance.", + "Source intensity is not concentration calibration, detector count, current or FT transient.", + "Precursor formula and mass reference are not a certified calibrant assignment; current mass-scale and response require explicit model observations.", + "All MS1 isotope probabilities are theoretical natural-isotope references; no actual ESI response or solvent-specific adduct equilibrium is claimed.", + "A single-peak MS2 record is a valid reference but does not establish a rich structural fragmentation pattern or unique molecular structure." + ] + }, + "sm808001": { + "substance_id": "sm808001", + "accession": "MSBNK-CASMI_2016-SM808001", + "name_en": "Benzamide", + "names": [ + "Benzamide" + ], + "formula": "C7H7NO", + "element_counts": { + "C": 7, + "H": 7, + "N": 1, + "O": 1 + }, + "inchikey": "KXDAEFPNCMNJSK-UHFFFAOYSA-N", + "inchi": "InChI=1S/C7H7NO/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H2,8,9)", + "smiles": "NC(=O)C1=CC=CC=C1", + "cas": "55-21-0", + "pubchem_cid": "CID:2331", + "molar_mass_kg_mol": 0.12113684469130126, + "molar_mass_evidence": "derived approximate average from NIST representative isotope composition, not current specimen isotopic mass", + "source_neutral_exact_mass_u": 121.05276, + "neutral_exact_mass_u": 121.05276384961, + "neutral_exact_mass_evidence": "derived from most abundant NIST isotope of each element, source rounded CH$EXACT_MASS retained separately", + "precursor_mz": 122.06, + "precursor_mz_si_kg_c": 1.265062755573648e-06, + "precursor_mz_evidence": "reported precursor selection/reference setting, not independently available MS1 centroid 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L.; Ruttkies, C.; Krauss, M.; Brouard, C.; Kind, T.; Dührkop, K.; Allen, F.; Vaniya, A.; Verdegem, D.; Böcker, S.; et al. Critical Assessment of Small Molecule Identification 2016: Automated Methods. Journal of Cheminformatics 2017, 9 (1). DOI:10.1186/s13321-017-0207-1" + ], + "COMMENT": [ + "CONFIDENCE standard compound", + "INTERNAL_ID 8080" + ], + "CH$NAME": [ + "Benzamide" + ], + "CH$COMPOUND_CLASS": [ + "N/A; Environmental Standard" + ], + "CH$FORMULA": [ + "C7H7NO" + ], + "CH$EXACT_MASS": [ + "121.05276" + ], + "CH$SMILES": [ + "NC(=O)C1=CC=CC=C1" + ], + "CH$IUPAC": [ + "InChI=1S/C7H7NO/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H2,8,9)" + ], + "CH$LINK": [ + "CAS 55-21-0", + "CHEBI CHEBI:28179", + "KEGG C09815", + "PUBCHEM CID:2331", + "INCHIKEY KXDAEFPNCMNJSK-UHFFFAOYSA-N", + "CHEMSPIDER 2241", + "COMPTOX DTXSID0021709", + "ChemOnt CHEMONTID:0000176; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives" + ], + "AC$INSTRUMENT": [ + "Q Exactive Plus Orbitrap Thermo Scientific" + ], + "AC$INSTRUMENT_TYPE": [ + "LC-ESI-QFT" + ], + "AC$MASS_SPECTROMETRY": [ + "MS_TYPE MS2", + "ION_MODE POSITIVE", + "IONIZATION ESI", + "FRAGMENTATION_MODE HCD", + "COLLISION_ENERGY 35 (nominal)", + "RESOLUTION 35000" + ], + "AC$CHROMATOGRAPHY": [ + "COLUMN_NAME Kinetex C18 EVO 2.6 um, 2.1x50 mm, precolumn 2.1x5 mm, Phenomenex", + "FLOW_GRADIENT 95/5 at 0 min, 95/5 at 1 min, 0/100 at 13 min, 0/100 at 24 min", + "FLOW_RATE 300 uL/min", + "RETENTION_TIME 1.757 min", + "SOLVENT A water with 0.1% formic acid", + "SOLVENT B methanol with 0.1% formic acid" + ], + "MS$FOCUSED_ION": [ + "BASE_PEAK 122.0599", + "PRECURSOR_M/Z 122.06", + "PRECURSOR_TYPE [M+H]+" + ], + "MS$DATA_PROCESSING": [ + "RECALIBRATE loess on assigned fragments and MS1", + "REANALYZE Peaks with additional N2/O included", + "WHOLE RMassBank 2.3.1" + ], + "PK$SPLASH": [ + "splash10-05i0-3900000000-105f114ff019238e0401" + ], + "PK$ANNOTATION": [ + "m/z tentative_formula formula_count mass error(ppm)" + ], + "PK$NUM_PEAK": [ + "10" + ], + "PK$PEAK": [ + "m/z int. rel.int." + ] + }, + "limitations": [ + "Source Q Exactive Plus differs from target Exploris120. Fixed MS2 spectrum transfer requires explicit host acceptance.", + "35000 source resolving power is not a selectable Exploris120 resolving-power setting; resampling does not create original resolution.", + "Polarity/adduct and reported nominal NCE are retained, but record35 versus paper stepped20/35/50 remains unresolved; even nominally matching NCE requires explicit source-condition transfer acceptance.", + "Source intensity is not concentration calibration, detector count, current or FT transient.", + "Precursor formula and mass reference are not a certified calibrant assignment; current mass-scale and response require explicit model observations.", + "All MS1 isotope probabilities are theoretical natural-isotope references; no actual ESI response or solvent-specific adduct equilibrium is claimed.", + "A single-peak MS2 record is a valid reference but does not establish a rich structural fragmentation pattern or unique molecular structure." + ] + }, + "sm808102": { + "substance_id": "sm808102", + "accession": "MSBNK-CASMI_2016-SM808102", + "name_en": "Benzanilide", + "names": [ + "Benzanilide", + "N-phenylbenzamide" + ], + "formula": "C13H11NO", + "element_counts": { + "C": 13, + "H": 11, + "N": 1, + "O": 1 + }, + "inchikey": "ZVSKZLHKADLHSD-UHFFFAOYSA-N", + "inchi": "InChI=1S/C13H11NO/c15-13(11-7-3-1-4-8-11)14-12-9-5-2-6-10-12/h1-10H,(H,14,15)", + "smiles": "O=C(NC1=CC=CC=C1)C1=CC=CC=C1", + "cas": "93-98-1", + "pubchem_cid": "CID:7168", + "molar_mass_kg_mol": 0.19723302308793583, + "molar_mass_evidence": "derived approximate average from NIST representative isotope composition, not current specimen isotopic mass", + "source_neutral_exact_mass_u": 197.08406, + "neutral_exact_mass_u": 197.08406397853, + "neutral_exact_mass_evidence": "derived from most abundant NIST isotope of each element, source rounded CH$EXACT_MASS retained separately", + "precursor_mz": 198.0913, + "precursor_mz_si_kg_c": 2.0530716519184514e-06, + "precursor_mz_evidence": "reported precursor 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L.; Ruttkies, C.; Krauss, M.; Brouard, C.; Kind, T.; Dührkop, K.; Allen, F.; Vaniya, A.; Verdegem, D.; Böcker, S.; et al. Critical Assessment of Small Molecule Identification 2016: Automated Methods. Journal of Cheminformatics 2017, 9 (1). DOI:10.1186/s13321-017-0207-1" + ], + "COMMENT": [ + "CONFIDENCE standard compound", + "INTERNAL_ID 8081" + ], + "CH$NAME": [ + "Benzanilide", + "N-phenylbenzamide" + ], + "CH$COMPOUND_CLASS": [ + "N/A; Environmental Standard" + ], + "CH$FORMULA": [ + "C13H11NO" + ], + "CH$EXACT_MASS": [ + "197.08406" + ], + "CH$SMILES": [ + "O=C(NC1=CC=CC=C1)C1=CC=CC=C1" + ], + "CH$IUPAC": [ + "InChI=1S/C13H11NO/c15-13(11-7-3-1-4-8-11)14-12-9-5-2-6-10-12/h1-10H,(H,14,15)" + ], + "CH$LINK": [ + "CAS 93-98-1", + "PUBCHEM CID:7168", + "INCHIKEY ZVSKZLHKADLHSD-UHFFFAOYSA-N", + "CHEMSPIDER 6900", + "COMPTOX DTXSID9059096", + "ChemOnt CHEMONTID:0000285; Organic compounds; Benzenoids; Benzene and substituted derivatives; Anilides" + ], + "AC$INSTRUMENT": [ + "Q Exactive Plus Orbitrap Thermo Scientific" + ], + "AC$INSTRUMENT_TYPE": [ + "LC-ESI-QFT" + ], + "AC$MASS_SPECTROMETRY": [ + "MS_TYPE MS2", + "ION_MODE POSITIVE", + "IONIZATION ESI", + "FRAGMENTATION_MODE HCD", + "COLLISION_ENERGY 35 (nominal)", + "RESOLUTION 35000" + ], + "AC$CHROMATOGRAPHY": [ + "COLUMN_NAME Kinetex C18 EVO 2.6 um, 2.1x50 mm, precolumn 2.1x5 mm, Phenomenex", + "FLOW_GRADIENT 95/5 at 0 min, 95/5 at 1 min, 0/100 at 13 min, 0/100 at 24 min", + "FLOW_RATE 300 uL/min", + "RETENTION_TIME 9.334 min", + "SOLVENT A water with 0.1% formic acid", + "SOLVENT B methanol with 0.1% formic acid" + ], + "MS$FOCUSED_ION": [ + "BASE_PEAK 198.091", + "PRECURSOR_M/Z 198.0913", + "PRECURSOR_TYPE [M+H]+" + ], + "MS$DATA_PROCESSING": [ + "RECALIBRATE loess on assigned fragments and MS1", + "REANALYZE Peaks with additional N2/O included", + "WHOLE RMassBank 2.3.1" + ], + "PK$SPLASH": [ + "splash10-0a4j-0900000000-0c85823e3992c1a333b5" + ], + "PK$ANNOTATION": [ + "m/z tentative_formula formula_count mass error(ppm)" + ], + "PK$NUM_PEAK": [ + "12" + ], + "PK$PEAK": [ + "m/z int. rel.int." + ] + }, + "limitations": [ + "Source Q Exactive Plus differs from target Exploris120. Fixed MS2 spectrum transfer requires explicit host acceptance.", + "35000 source resolving power is not a selectable Exploris120 resolving-power setting; resampling does not create original resolution.", + "Polarity/adduct and reported nominal NCE are retained, but record35 versus paper stepped20/35/50 remains unresolved; even nominally matching NCE requires explicit source-condition transfer acceptance.", + "Source intensity is not concentration calibration, detector count, current or FT transient.", + "Precursor formula and mass reference are not a certified calibrant assignment; current mass-scale and response require explicit model observations.", + "All MS1 isotope probabilities are theoretical natural-isotope references; no actual ESI response or solvent-specific adduct equilibrium is claimed.", + "A single-peak MS2 record is a valid reference but does not establish a rich structural fragmentation pattern or unique molecular structure." + ] + }, + "sm808401": { + "substance_id": "sm808401", + "accession": "MSBNK-CASMI_2016-SM808401", + "name_en": "Benzylamine", + "names": [ + "Benzylamine", + "phenylmethanamine" + ], + "formula": "C7H9N", + "element_counts": { + "C": 7, + "H": 9, + "N": 1 + }, + "inchikey": "WGQKYBSKWIADBV-UHFFFAOYSA-N", + "inchi": "InChI=1S/C7H9N/c8-6-7-4-2-1-3-5-7/h1-5H,6,8H2", + "smiles": "NCC1=CC=CC=C1", + "cas": "100-46-9", + "pubchem_cid": "CID:7504", + "molar_mass_kg_mol": 0.10715332127509454, + "molar_mass_evidence": "derived approximate average from NIST representative isotope composition, not current specimen isotopic mass", + "source_neutral_exact_mass_u": 107.0735, + "neutral_exact_mass_u": 107.0734992945, + "neutral_exact_mass_evidence": "derived from most abundant NIST isotope of each element, source rounded CH$EXACT_MASS retained separately", + "precursor_mz": 108.0808, + "precursor_mz_si_kg_c": 1.1201785570424735e-06, + "precursor_mz_evidence": "reported precursor selection/reference setting, not independently available MS1 centroid data", + "derived_precursor_mz": 108.0807757610789, + "precursor_charge": 1, + "precursor_type": "[M+H]+", + "polarity": "positive", + "ionization": "ESI", + "fragmentation_mode": "HCD", + "instrument_type": "LC-ESI-QFT", + "instrument": "Q Exactive Plus Orbitrap Thermo Scientific", + "collision_energy": { + "value": 35.0, + "unit": "NCE", + "fraction": 0.35, + "raw": "35 (nominal)", + "unit_evidence": "RECORD_TITLE explicitly names NCE; no conversion to eV or V", + "paper_stepped_nce": [ + 20.0, + 35.0, + 50.0 + ], + "single_energy_verified": false, + "conflict": "Record labels35 NCE but cited paper Methods reports stepped20/35/50; cannot infer this is a pure35 spectrum." + }, + "source_resolution_200": 35000.0, + "source_resolution_evidence": "35000 nominal MS/MS resolving power at m/z200 documented in CASMI publication methods", + "conditions": { + "chromatography_raw": [ + "COLUMN_NAME Kinetex C18 EVO 2.6 um, 2.1x50 mm, precolumn 2.1x5 mm, Phenomenex", + "FLOW_GRADIENT 95/5 at 0 min, 95/5 at 1 min, 0/100 at 13 min, 0/100 at 24 min", + "FLOW_RATE 300 uL/min", + "RETENTION_TIME 0.437 min", + "SOLVENT A water with 0.1% formic acid", + "SOLVENT B methanol with 0.1% formic acid" + ], + "spectrometry_raw": [ + "MS_TYPE MS2", + "ION_MODE POSITIVE", + "IONIZATION ESI", + "FRAGMENTATION_MODE HCD", + "COLLISION_ENERGY 35 (nominal)", + "RESOLUTION 35000" + ], + "data_processing_raw": [ + "RECALIBRATE loess on assigned fragments and MS1", + "REANALYZE Peaks with additional N2/O included", + "WHOLE RMassBank 2.3.1" + ], + "confidence_raw": [ + "CONFIDENCE standard compound", + "INTERNAL_ID 8084" + ], + "sample_concentration_kg_m3": null, + "temperature_k": null, + "electronic_profile_available": false, + "measured_on_exploris120": false + }, + "record_kind": "measured_processed_ms2_reference", + "physical_input_eligible": true, + "mass_reference_eligible": true, + "concentration_calibration_eligible": false, + "ms1_measured": null, + "single_peak_only": false, + "derived_ms1": { + "mass_to_charge_relative": [ + 108.0807757585789, + 109.07781065357891, + 109.0841305935789, + 109.0870525045789, + 110.0811654885789, + 110.0840873995789, + 110.0874854285789, + 110.0904073395789, + 110.0933292505789, + 111.0845203235789, + 111.0874422345789, + 111.0903641455789, + 111.0908402635789, + 111.0937621745789, + 111.0966840855789, + 112.0878751585789, + 112.0907970695789, + 112.0937189805789, + 112.09419509857891, + 112.0971170095789, + 112.1000389205789, + 113.0912299935789, + 113.09415190457891, + 113.0975499335789 + ], + "mass_to_charge_si_kg_c": [ + 1.1201783057978481e-06, + 1.1305118443171977e-06, + 1.130577345879638e-06, + 1.1306076293531853e-06, + 1.1409108843989873e-06, + 1.1409411678725347e-06, + 1.1409763859614275e-06, + 1.141006669434975e-06, + 1.1410369529085224e-06, + 1.1513099244807768e-06, + 1.1513402079543244e-06, + 1.1513704914278718e-06, + 1.151375426043217e-06, + 1.1514057095167646e-06, + 1.151435992990312e-06, + 1.1617089645625664e-06, + 1.1617392480361138e-06, + 1.1617695315096614e-06, + 1.1617744661250068e-06, + 1.1618047495985541e-06, + 1.1618350330721017e-06, + 1.1721080046443562e-06, + 1.1721382881179038e-06, + 1.1721735062067965e-06 + ], + "probability": [ + 0.9231299190586878, + 0.0033724686914103573, + 0.06989025668401466, + 0.0009555493544014981, + 0.00025532993529428456, + 3.4909065498629545e-06, + 0.0022677420798108473, + 7.234473531251613e-05, + 4.3960325739929e-07, + 8.284737615431656e-06, + 2.6429687717045914e-07, + 1.6060017031328191e-09, + 4.0878803622049355e-05, + 2.3473830016494166e-06, + 3.328240572041526e-08, + 1.493424517084785e-07, + 8.575689636279935e-09, + 1.215905464112485e-10, + 4.4213403290804417e-07, + 4.231442790803051e-08, + 8.999336430012215e-10, + 1.6152473802493886e-09, + 1.545872150480058e-10, + 2.869200941342004e-09 + ], + "relative_intensity": [ + 1.0, + 0.0036532980047372437, + 0.07571009804912564, + 0.0010351190386894494, + 0.00027659155014133176, + 3.7815983187096992e-06, + 0.0024565795485463797, + 7.83689639116949e-05, + 4.7620952189216425e-07, + 8.974617163182808e-06, + 2.8630517949191995e-07, + 1.7397352961655205e-09, + 4.428282821093408e-05, + 2.5428522607554897e-06, + 3.6053869594383e-08, + 1.617783679471276e-07, + 9.28979709055962e-09, + 1.3171552985221617e-10, + 4.789510379632009e-07, + 4.5837998568152117e-08, + 9.748721435861168e-10, + 1.7497508713577938e-09, + 1.6745986871017874e-10, + 3.108122575279239e-09 + ], + "retained_probability": 0.9999999991854248, + "excluded_probability": 8.145751850818783e-10, + "evidence": "derived", + "source": [ + "nist_isotopes", + "codata2022_u", + "codata2022_e", + "codata2022_me", + "codata2022_mp" + ], + "unit": "1", + "method": "Independent natural elemental abundances normalized per element; atomic masses each rounded once to 1e-9 u and exactly summed as integer nano-u during atom convolution; prune probability<1e-10 and cap4096 states after each atom. No renormalization of retained probabilities. Positive neutral molecule adds fixed CODATA proton; negative molecule loses one natural H atom and gains CODATA electron. Electron/proton binding-energy conventions are molecular mass approximations, not measured MS1 or isotope response.", + "physical_scope": "Derived isotope-composition probabilities, not response/ionization efficiency; instrument-resolved profile is synthetic." + }, + "ms2": { + "mass_to_charge_relative": [ + 65.0386, + 67.0543, + 91.0542, + 92.0495, + 93.0571, + 107.073, + 108.0807, + 110.06 + ], + "mass_to_charge_si_kg_c": [ + 6.740775891746049e-07, + 6.949688475427008e-07, + 9.437102831275934e-07, + 9.540258407273184e-07, + 9.6446887884395e-07, + 1.1097334460719088e-06, + 1.120177520615507e-06, + 1.1406915195677183e-06 + ], + "raw_intensity": [ + 2049406.9, + 5668716.0, + 65472456.0, + 1067951.2, + 1778236.2, + 1010293.4, + 767106880.0, + 3063149.5 + ], + "raw_intensity_unit": "unspecified instrument intensity, not counts/A/C", + "published_relative_intensity": [ + 2, + 7, + 85, + 1, + 2, + 1, + 999, + 3 + ], + "relative_intensity": [ + 0.002671605422180544, + 0.007389734270144989, + 0.0853498485113313, + 0.0013921804481795287, + 0.0023181074845789414, + 0.0013170177798431427, + 1.0, + 0.003993119576766148 + ], + "normalization": "all original raw-intensity values divided by their original maximum; full spectrum retained, no mass-domain renormalization", + "relative_intensity_unit": "1", + "evidence": "measured_literature", + "source": "massbank_sm808401", + "annotations_raw": [ + { + "line": 47, + "raw": " 65.0386 C5H5+ 1 65.0386 0.63" + }, + { + "line": 48, + "raw": " 67.0543 C5H7+ 1 67.0542 0.73" + }, + { + "line": 49, + "raw": " 91.0542 C7H7+ 1 91.0542 -0.59" + }, + { + "line": 50, + "raw": " 92.0495 C6H6N+ 1 92.0495 0.67" + }, + { + "line": 51, + "raw": " 93.0571 C6H7N+ 1 93.0573 -2.3" + }, + { + "line": 52, + "raw": " 107.073 C7H9N+ 1 107.073 0.86" + }, + { + "line": 53, + "raw": " 108.0807 C7H10N+ 1 108.0808 -0.76" + }, + { + "line": 54, + "raw": " 110.06 C6H8NO+ 1 110.06 -0.52" + } + ], + "source_peak_count": 8, + "original_acquisition_type": "processed centroid peak table, loess recalibrated by RMassBank; not unprocessed detector electronics" + }, + "range_40_3000": { + "original_indices": [ + 0, + 1, + 2, + 3, + 4, + 5, + 6, + 7 + ], + "retained_raw_intensity_fraction": 1.0, + "meaning": "Fraction of sums of reported intensities, not analyte yield/ion count/charge/mass" + }, + "source": "massbank_sm808401", + "evidence": "measured_literature", + "source_field_lines": { + "ACCESSION": [ + 1 + ], + "RECORD_TITLE": [ + 2 + ], + "DATE": [ + 3 + ], + "AUTHORS": [ + 4 + ], + "LICENSE": [ + 5 + ], + "COPYRIGHT": [ + 6 + ], + "PUBLICATION": [ + 7 + ], + "COMMENT": [ + 8, + 9 + ], + "CH$NAME": [ + 10, + 11 + ], + "CH$COMPOUND_CLASS": [ + 12 + ], + "CH$FORMULA": [ + 13 + ], + "CH$EXACT_MASS": [ + 14 + ], + "CH$SMILES": [ + 15 + ], + "CH$IUPAC": [ + 16 + ], + "CH$LINK": [ + 17, + 18, + 19, + 20, + 21, + 22, + 23, + 24 + ], + "AC$INSTRUMENT": [ + 25 + ], + "AC$INSTRUMENT_TYPE": [ + 26 + ], + "AC$MASS_SPECTROMETRY": [ + 27, + 28, + 29, + 30, + 31, + 32 + ], + "AC$CHROMATOGRAPHY": [ + 33, + 34, + 35, + 36, + 37, + 38 + ], + "MS$FOCUSED_ION": [ + 39, + 40, + 41 + ], + "MS$DATA_PROCESSING": [ + 42, + 43, + 44 + ], + "PK$SPLASH": [ + 45 + ], + "PK$ANNOTATION": [ + 46 + ], + "PK$NUM_PEAK": [ + 55 + ], + "PK$PEAK": [ + 56 + ] + }, + "source_headers": { + "ACCESSION": [ + "MSBNK-CASMI_2016-SM808401" + ], + "RECORD_TITLE": [ + "Benzylamine; LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M+H]+" + ], + "DATE": [ + "2016.12.12" + ], + "AUTHORS": [ + "Krauss M, Schymanski EL, Weidauer C, Schupke H, UFZ and Eawag" + ], + "LICENSE": [ + "CC BY" + ], + "COPYRIGHT": [ + "Copyright (C) 2016 UFZ/Eawag" + ], + "PUBLICATION": [ + "Schymanski, E. L.; Ruttkies, C.; Krauss, M.; Brouard, C.; Kind, T.; Dührkop, K.; Allen, F.; Vaniya, A.; Verdegem, D.; Böcker, S.; et al. Critical Assessment of Small Molecule Identification 2016: Automated Methods. Journal of Cheminformatics 2017, 9 (1). DOI:10.1186/s13321-017-0207-1" + ], + "COMMENT": [ + "CONFIDENCE standard compound", + "INTERNAL_ID 8084" + ], + "CH$NAME": [ + "Benzylamine", + "phenylmethanamine" + ], + "CH$COMPOUND_CLASS": [ + "N/A; Environmental Standard" + ], + "CH$FORMULA": [ + "C7H9N" + ], + "CH$EXACT_MASS": [ + "107.07350" + ], + "CH$SMILES": [ + "NCC1=CC=CC=C1" + ], + "CH$IUPAC": [ + "InChI=1S/C7H9N/c8-6-7-4-2-1-3-5-7/h1-5H,6,8H2" + ], + "CH$LINK": [ + "CAS 100-46-9", + "CHEBI CHEBI:40538", + "KEGG C15562", + "PUBCHEM CID:7504", + "INCHIKEY WGQKYBSKWIADBV-UHFFFAOYSA-N", + "CHEMSPIDER 7223", + "COMPTOX DTXSID5021839", + "ChemOnt CHEMONTID:0000185; Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenylmethylamines" + ], + "AC$INSTRUMENT": [ + "Q Exactive Plus Orbitrap Thermo Scientific" + ], + "AC$INSTRUMENT_TYPE": [ + "LC-ESI-QFT" + ], + "AC$MASS_SPECTROMETRY": [ + "MS_TYPE MS2", + "ION_MODE POSITIVE", + "IONIZATION ESI", + "FRAGMENTATION_MODE HCD", + "COLLISION_ENERGY 35 (nominal)", + "RESOLUTION 35000" + ], + "AC$CHROMATOGRAPHY": [ + "COLUMN_NAME Kinetex C18 EVO 2.6 um, 2.1x50 mm, precolumn 2.1x5 mm, Phenomenex", + "FLOW_GRADIENT 95/5 at 0 min, 95/5 at 1 min, 0/100 at 13 min, 0/100 at 24 min", + "FLOW_RATE 300 uL/min", + "RETENTION_TIME 0.437 min", + "SOLVENT A water with 0.1% formic acid", + "SOLVENT B methanol with 0.1% formic acid" + ], + "MS$FOCUSED_ION": [ + "BASE_PEAK 122.0962", + "PRECURSOR_M/Z 108.0808", + "PRECURSOR_TYPE [M+H]+" + ], + "MS$DATA_PROCESSING": [ + "RECALIBRATE loess on assigned fragments and MS1", + "REANALYZE Peaks with additional N2/O included", + "WHOLE RMassBank 2.3.1" + ], + "PK$SPLASH": [ + "splash10-0a4i-0900000000-de01e2fbc1afc209a498" + ], + "PK$ANNOTATION": [ + "m/z tentative_formula formula_count mass error(ppm)" + ], + "PK$NUM_PEAK": [ + "8" + ], + "PK$PEAK": [ + "m/z int. rel.int." + ] + }, + "limitations": [ + "Source Q Exactive Plus differs from target Exploris120. Fixed MS2 spectrum transfer requires explicit host acceptance.", + "35000 source resolving power is not a selectable Exploris120 resolving-power setting; resampling does not create original resolution.", + "Polarity/adduct and reported nominal NCE are retained, but record35 versus paper stepped20/35/50 remains unresolved; even nominally matching NCE requires explicit source-condition transfer acceptance.", + "Source intensity is not concentration calibration, detector count, current or FT transient.", + "Precursor formula and mass reference are not a certified calibrant assignment; current mass-scale and response require explicit model observations.", + "All MS1 isotope probabilities are theoretical natural-isotope references; no actual ESI response or solvent-specific adduct equilibrium is claimed.", + "A single-peak MS2 record is a valid reference but does not establish a rich structural fragmentation pattern or unique molecular structure." + ] + }, + "sm808501": { + "substance_id": "sm808501", + "accession": "MSBNK-CASMI_2016-SM808501", + "name_en": "Quinoxaline", + "names": [ + "Quinoxaline", + "Chinoxalin" + ], + "formula": "C8H6N2", + "element_counts": { + "C": 8, + "H": 6, + "N": 2 + }, + "inchikey": "XSCHRSMBECNVNS-UHFFFAOYSA-N", + "inchi": "InChI=1S/C8H6N2/c1-2-4-8-7(3-1)9-5-6-10-8/h1-6H", + "smiles": "C1=CC=C2N=CC=NC2=C1", + "cas": "91-19-0", + "pubchem_cid": "CID:7045", + "molar_mass_kg_mol": 0.13014693812110822, + "molar_mass_evidence": "derived approximate average from NIST representative isotope composition, not current specimen isotopic mass", + "source_neutral_exact_mass_u": 130.0531, + "neutral_exact_mass_u": 130.05309820224, + "neutral_exact_mass_evidence": "derived from most abundant NIST isotope of each element, source rounded CH$EXACT_MASS retained separately", + "precursor_mz": 131.0604, + "precursor_mz_si_kg_c": 1.358345328285962e-06, + "precursor_mz_evidence": "reported precursor selection/reference setting, not independently available MS1 centroid data", + "derived_precursor_mz": 131.0603746688189, + "precursor_charge": 1, + "precursor_type": "[M+H]+", + "polarity": "positive", + "ionization": "ESI", + "fragmentation_mode": "HCD", + "instrument_type": "LC-ESI-QFT", + "instrument": "Q Exactive Plus Orbitrap Thermo Scientific", + "collision_energy": { + "value": 35.0, + "unit": "NCE", + "fraction": 0.35, + "raw": "35 (nominal)", + "unit_evidence": "RECORD_TITLE explicitly names NCE; no conversion to eV or V", + "paper_stepped_nce": [ + 20.0, + 35.0, + 50.0 + ], + "single_energy_verified": false, + "conflict": "Record labels35 NCE but cited paper Methods reports stepped20/35/50; cannot infer this is a pure35 spectrum." + }, + "source_resolution_200": 35000.0, + "source_resolution_evidence": "35000 nominal MS/MS resolving power at m/z200 documented in CASMI publication methods", + "conditions": { + "chromatography_raw": [ + "COLUMN_NAME Kinetex C18 EVO 2.6 um, 2.1x50 mm, precolumn 2.1x5 mm, Phenomenex", + "FLOW_GRADIENT 95/5 at 0 min, 95/5 at 1 min, 0/100 at 13 min, 0/100 at 24 min", + "FLOW_RATE 300 uL/min", + "RETENTION_TIME 6.143 min", + "SOLVENT A water with 0.1% formic acid", + "SOLVENT B methanol with 0.1% formic acid" + ], + "spectrometry_raw": [ + "MS_TYPE MS2", + "ION_MODE POSITIVE", + "IONIZATION ESI", + "FRAGMENTATION_MODE HCD", + "COLLISION_ENERGY 35 (nominal)", + "RESOLUTION 35000" + ], + "data_processing_raw": [ + "RECALIBRATE loess on assigned fragments and MS1", + "REANALYZE Peaks with additional N2/O included", + "WHOLE RMassBank 2.3.1" + ], + "confidence_raw": [ + "CONFIDENCE standard compound", + "INTERNAL_ID 8085" + ], + "sample_concentration_kg_m3": null, + "temperature_k": null, + "electronic_profile_available": false, + "measured_on_exploris120": false + }, + "record_kind": "measured_processed_ms2_reference", + "physical_input_eligible": true, + "mass_reference_eligible": true, + "concentration_calibration_eligible": false, + "ms1_measured": null, + "single_peak_only": false, + "derived_ms1": { + "mass_to_charge_relative": [ + 131.0603746665789, + 132.0574095615789, + 132.0637295015789, + 132.0666514125789, + 133.0544444565789, + 133.0607643965789, + 133.0636863075789, + 133.0670843365789, + 133.0700062475789, + 133.0729281585789, + 134.0577992915789, + 134.0607212025789, + 134.0641192315789, + 134.0670411425789, + 134.0699630535789, + 134.0704391715789, + 134.0733610825789, + 134.0762829935789, + 135.0611541265789, + 135.0640760375789, + 135.0674740665789, + 135.0703959775789, + 135.0737940065789, + 135.0767159175789, + 135.0796378285789, + 136.0645089615789, + 136.0708289015789, + 136.0737508125789, + 136.0771488415789, + 136.0800707525789 + ], + "mass_to_charge_si_kg_c": [ + 1.358345065723554e-06, + 1.3686786042429037e-06, + 1.3687441058053438e-06, + 1.3687743892788912e-06, + 1.3790121427622528e-06, + 1.379077644324693e-06, + 1.3791079277982408e-06, + 1.3791431458871334e-06, + 1.379173429360681e-06, + 1.3792037128342283e-06, + 1.3894111828440426e-06, + 1.38944146631759e-06, + 1.389476684406483e-06, + 1.3895069678800301e-06, + 1.389537251353578e-06, + 1.3895421859689231e-06, + 1.3895724694424705e-06, + 1.389602752916018e-06, + 1.3998102229258324e-06, + 1.3998405063993795e-06, + 1.3998757244882725e-06, + 1.3999060079618197e-06, + 1.3999412260507127e-06, + 1.3999715095242603e-06, + 1.4000017929978076e-06, + 1.410209263007622e-06, + 1.410274764570062e-06, + 1.4103050480436097e-06, + 1.4103402661325024e-06, + 1.4103705496060498e-06 + ], + "probability": [ + 0.9102421875256955, + 0.0066507719350305744, + 0.07875945744688119, + 0.0006281393454174529, + 1.2148625920104827e-05, + 0.0005754635374897577, + 4.589560434621077e-06, + 0.0029814431227996557, + 5.4350275920078824e-05, + 1.8061083205320386e-07, + 1.0511698966551839e-06, + 8.383515989211089e-09, + 2.1784200423523115e-05, + 3.9711550915148524e-07, + 1.3196503847478061e-09, + 6.449295747287235e-05, + 2.0574323594530997e-06, + 1.5627501489693976e-08, + 3.979208797102661e-08, + 7.253906486166677e-10, + 4.7122398571049696e-07, + 1.5032827067343696e-08, + 8.719228810266531e-07, + 4.450525876103945e-08, + 4.73263868019035e-10, + 8.60760823390245e-10, + 6.370788243078842e-09, + 3.251819460640403e-10, + 7.544384778720461e-09, + 6.016959829464294e-10 + ], + "relative_intensity": [ + 1.0, + 0.007306596009474487, + 0.0865258263418579, + 0.0006900793591262995, + 1.3346586311417125e-05, + 0.0006322092574659014, + 5.042131091612931e-06, + 0.003275439398061839, + 5.970968678986278e-05, + 1.9842063412173515e-07, + 1.1548244094382958e-06, + 9.21020372830657e-09, + 2.3932312435154145e-05, + 4.3627455922578293e-07, + 1.4497794134712674e-09, + 7.085252513749453e-05, + 2.2603131206715463e-06, + 1.7168509330658576e-08, + 4.371593463404848e-08, + 7.969204883685864e-10, + 5.176907774308084e-07, + 1.6515194827661544e-08, + 9.57902075926402e-07, + 4.8893865139362266e-08, + 5.199318099125955e-10, + 9.456393421294224e-10, + 6.999003485431176e-09, + 3.5724771991504804e-10, + 8.288326867411304e-09, + 6.610284506610434e-10 + ], + "retained_probability": 0.9999999995712574, + "excluded_probability": 4.287425969806691e-10, + "evidence": "derived", + "source": [ + "nist_isotopes", + "codata2022_u", + "codata2022_e", + "codata2022_me", + "codata2022_mp" + ], + "unit": "1", + "method": "Independent natural elemental abundances normalized per element; atomic masses each rounded once to 1e-9 u and exactly summed as integer nano-u during atom convolution; prune probability<1e-10 and cap4096 states after each atom. No renormalization of retained probabilities. Positive neutral molecule adds fixed CODATA proton; negative molecule loses one natural H atom and gains CODATA electron. Electron/proton binding-energy conventions are molecular mass approximations, not measured MS1 or isotope response.", + "physical_scope": "Derived isotope-composition probabilities, not response/ionization efficiency; instrument-resolved profile is synthetic." + }, + "ms2": { + "mass_to_charge_relative": [ + 71.0492, + 77.0388, + 95.0492, + 104.0494, + 131.0603 + ], + "mass_to_charge_si_kg_c": [ + 7.363730684360415e-07, + 7.984508980344678e-07, + 9.851155404479008e-07, + 1.0783960403062816e-06, + 1.3583442918589954e-06 + ], + "raw_intensity": [ + 53930.1, + 64411.1, + 50854.0, + 550357.1, + 43367384.0 + ], + "raw_intensity_unit": "unspecified instrument intensity, not counts/A/C", + "published_relative_intensity": [ + 1, + 1, + 1, + 12, + 999 + ], + "relative_intensity": [ + 0.0012435635960887103, + 0.001485242918964169, + 0.0011726324096468443, + 0.01269057640184153, + 1.0 + ], + "normalization": "all original raw-intensity values divided by their original maximum; full spectrum retained, no mass-domain renormalization", + "relative_intensity_unit": "1", + "evidence": "measured_literature", + "source": "massbank_sm808501", + "annotations_raw": [ + { + "line": 47, + "raw": " 71.0492 C4H7O+ 1 71.0491 0.34" + }, + { + "line": 48, + "raw": " 77.0388 C6H5+ 1 77.0386 2.3" + }, + { + "line": 49, + "raw": " 95.0492 C6H7O+ 1 95.0491 0.92" + }, + { + "line": 50, + "raw": " 104.0494 C7H6N+ 1 104.0495 -0.44" + }, + { + "line": 51, + "raw": " 131.0603 C8H7N2+ 1 131.0604 -0.76" + } + ], + "source_peak_count": 5, + "original_acquisition_type": "processed centroid peak table, loess recalibrated by RMassBank; not unprocessed detector electronics" + }, + "range_40_3000": { + "original_indices": [ + 0, + 1, + 2, + 3, + 4 + ], + "retained_raw_intensity_fraction": 1.0, + "meaning": "Fraction of sums of reported intensities, not analyte yield/ion count/charge/mass" + }, + "source": "massbank_sm808501", + "evidence": "measured_literature", + "source_field_lines": { + "ACCESSION": [ + 1 + ], + "RECORD_TITLE": [ + 2 + ], + "DATE": [ + 3 + ], + "AUTHORS": [ + 4 + ], + "LICENSE": [ + 5 + ], + "COPYRIGHT": [ + 6 + ], + "PUBLICATION": [ + 7 + ], + "COMMENT": [ + 8, + 9 + ], + "CH$NAME": [ + 10, + 11 + ], + "CH$COMPOUND_CLASS": [ + 12 + ], + "CH$FORMULA": [ + 13 + ], + "CH$EXACT_MASS": [ + 14 + ], + "CH$SMILES": [ + 15 + ], + "CH$IUPAC": [ + 16 + ], + "CH$LINK": [ + 17, + 18, + 19, + 20, + 21, + 22, + 23, + 24 + ], + "AC$INSTRUMENT": [ + 25 + ], + "AC$INSTRUMENT_TYPE": [ + 26 + ], + "AC$MASS_SPECTROMETRY": [ + 27, + 28, + 29, + 30, + 31, + 32 + ], + "AC$CHROMATOGRAPHY": [ + 33, + 34, + 35, + 36, + 37, + 38 + ], + "MS$FOCUSED_ION": [ + 39, + 40, + 41 + ], + "MS$DATA_PROCESSING": [ + 42, + 43, + 44 + ], + "PK$SPLASH": [ + 45 + ], + "PK$ANNOTATION": [ + 46 + ], + "PK$NUM_PEAK": [ + 52 + ], + "PK$PEAK": [ + 53 + ] + }, + "source_headers": { + "ACCESSION": [ + "MSBNK-CASMI_2016-SM808501" + ], + "RECORD_TITLE": [ + "Quinoxaline; LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M+H]+" + ], + "DATE": [ + "2016.12.12" + ], + "AUTHORS": [ + "Krauss M, Schymanski EL, Weidauer C, Schupke H, UFZ and Eawag" + ], + "LICENSE": [ + "CC BY" + ], + "COPYRIGHT": [ + "Copyright (C) 2016 UFZ/Eawag" + ], + "PUBLICATION": [ + "Schymanski, E. L.; Ruttkies, C.; Krauss, M.; Brouard, C.; Kind, T.; Dührkop, K.; Allen, F.; Vaniya, A.; Verdegem, D.; Böcker, S.; et al. Critical Assessment of Small Molecule Identification 2016: Automated Methods. Journal of Cheminformatics 2017, 9 (1). DOI:10.1186/s13321-017-0207-1" + ], + "COMMENT": [ + "CONFIDENCE standard compound", + "INTERNAL_ID 8085" + ], + "CH$NAME": [ + "Quinoxaline", + "Chinoxalin" + ], + "CH$COMPOUND_CLASS": [ + "N/A; Environmental Standard" + ], + "CH$FORMULA": [ + "C8H6N2" + ], + "CH$EXACT_MASS": [ + "130.05310" + ], + "CH$SMILES": [ + "C1=CC=C2N=CC=NC2=C1" + ], + "CH$IUPAC": [ + "InChI=1S/C8H6N2/c1-2-4-8-7(3-1)9-5-6-10-8/h1-6H" + ], + "CH$LINK": [ + "CAS 91-19-0", + "CHEBI CHEBI:36616", + "KEGG C18575", + "PUBCHEM CID:7045", + "INCHIKEY XSCHRSMBECNVNS-UHFFFAOYSA-N", + "CHEMSPIDER 21106470", + "COMPTOX DTXSID6049432", + "ChemOnt CHEMONTID:0004789; Organic compounds; Organoheterocyclic compounds; Diazanaphthalenes; Benzodiazines" + ], + "AC$INSTRUMENT": [ + "Q Exactive Plus Orbitrap Thermo Scientific" + ], + "AC$INSTRUMENT_TYPE": [ + "LC-ESI-QFT" + ], + "AC$MASS_SPECTROMETRY": [ + "MS_TYPE MS2", + "ION_MODE POSITIVE", + "IONIZATION ESI", + "FRAGMENTATION_MODE HCD", + "COLLISION_ENERGY 35 (nominal)", + "RESOLUTION 35000" + ], + "AC$CHROMATOGRAPHY": [ + "COLUMN_NAME Kinetex C18 EVO 2.6 um, 2.1x50 mm, precolumn 2.1x5 mm, Phenomenex", + "FLOW_GRADIENT 95/5 at 0 min, 95/5 at 1 min, 0/100 at 13 min, 0/100 at 24 min", + "FLOW_RATE 300 uL/min", + "RETENTION_TIME 6.143 min", + "SOLVENT A water with 0.1% formic acid", + "SOLVENT B methanol with 0.1% formic acid" + ], + "MS$FOCUSED_ION": [ + "BASE_PEAK 65.0597", + "PRECURSOR_M/Z 131.0604", + "PRECURSOR_TYPE [M+H]+" + ], + "MS$DATA_PROCESSING": [ + "RECALIBRATE loess on assigned fragments and MS1", + "REANALYZE Peaks with additional N2/O included", + "WHOLE RMassBank 2.3.1" + ], + "PK$SPLASH": [ + "splash10-001i-0900000000-75c120bc4a5b986358ce" + ], + "PK$ANNOTATION": [ + "m/z tentative_formula formula_count mass error(ppm)" + ], + "PK$NUM_PEAK": [ + "5" + ], + "PK$PEAK": [ + "m/z int. rel.int." + ] + }, + "limitations": [ + "Source Q Exactive Plus differs from target Exploris120. Fixed MS2 spectrum transfer requires explicit host acceptance.", + "35000 source resolving power is not a selectable Exploris120 resolving-power setting; resampling does not create original resolution.", + "Polarity/adduct and reported nominal NCE are retained, but record35 versus paper stepped20/35/50 remains unresolved; even nominally matching NCE requires explicit source-condition transfer acceptance.", + "Source intensity is not concentration calibration, detector count, current or FT transient.", + "Precursor formula and mass reference are not a certified calibrant assignment; current mass-scale and response require explicit model observations.", + "All MS1 isotope probabilities are theoretical natural-isotope references; no actual ESI response or solvent-specific adduct equilibrium is claimed.", + "A single-peak MS2 record is a valid reference but does not establish a rich structural fragmentation pattern or unique molecular structure." + ] + }, + "sm808601": { + "substance_id": "sm808601", + "accession": "MSBNK-CASMI_2016-SM808601", + "name_en": "Diphenylamine", + "names": [ + "Diphenylamine", + "N-phenylaniline" + ], + "formula": "C12H11N", + "element_counts": { + "C": 12, + "H": 11, + "N": 1 + }, + "inchikey": "DMBHHRLKUKUOEG-UHFFFAOYSA-N", + "inchi": "InChI=1S/C12H11N/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1-10,13H", + "smiles": "N(C1=CC=CC=C1)C1=CC=CC=C1", + "cas": "122-39-4", + "pubchem_cid": "CID:11487", + "molar_mass_kg_mol": 0.1692228822668823, + "molar_mass_evidence": "derived approximate average from NIST representative isotope composition, not current specimen isotopic mass", + "source_neutral_exact_mass_u": 169.08915, + "neutral_exact_mass_u": 169.08914935896, + "neutral_exact_mass_evidence": "derived from most abundant NIST isotope of each element, source rounded CH$EXACT_MASS retained separately", + "precursor_mz": 170.0964, + "precursor_mz_si_kg_c": 1.762924959013251e-06, + "precursor_mz_evidence": "reported precursor selection/reference setting, not independently available MS1 centroid data", + "derived_precursor_mz": 170.0964258255389, + "precursor_charge": 1, + "precursor_type": "[M+H]+", + "polarity": "positive", + "ionization": "ESI", + "fragmentation_mode": "HCD", + "instrument_type": "LC-ESI-QFT", + "instrument": "Q Exactive Plus Orbitrap Thermo Scientific", + "collision_energy": { + "value": 35.0, + "unit": "NCE", + "fraction": 0.35, + "raw": "35 (nominal)", + "unit_evidence": "RECORD_TITLE explicitly names NCE; 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atomic masses each rounded once to 1e-9 u and exactly summed as integer nano-u during atom convolution; prune probability<1e-10 and cap4096 states after each atom. No renormalization of retained probabilities. Positive neutral molecule adds fixed CODATA proton; negative molecule loses one natural H atom and gains CODATA electron. Electron/proton binding-energy conventions are molecular mass approximations, not measured MS1 or isotope response.", + "physical_scope": "Derived isotope-composition probabilities, not response/ionization efficiency; instrument-resolved profile is synthetic." + }, + "ms2": { + "mass_to_charge_relative": [ + 65.0386, + 92.0494, + 93.0572, + 124.0755, + 128.062, + 143.0855, + 152.0621, + 153.0697, + 155.0729, + 168.0814, + 169.0885, + 170.0963 + ], + "mass_to_charge_si_kg_c": [ + 6.740775891746049e-07, + 9.54024804300352e-07, + 9.644699152709166e-07, + 1.2859519410878107e-06, + 1.3272691021159473e-06, + 1.4829767074605375e-06, + 1.576012610554773e-06, + 1.5864556486714047e-06, + 1.607217353668661e-06, + 1.7420409556339224e-06, + 1.7524788116157202e-06, + 1.7629239225862847e-06 + ], + "raw_intensity": [ + 457652.9, + 9904585.0, + 11863854.0, + 174298.6, + 187711.9, + 353644.8, + 212281.1, + 931235.9, + 187481.4, + 92539.6, + 230447.5, + 73664448.0 + ], + "raw_intensity_unit": "unspecified instrument intensity, not counts/A/C", + "published_relative_intensity": [ + 6, + 134, + 160, + 2, + 2, + 4, + 2, + 12, + 2, + 1, + 3, + 999 + ], + "relative_intensity": [ + 0.006212669916429701, + 0.13445542957167073, + 0.16105264238184477, + 0.0023661156057261166, + 0.002548202085217553, + 0.004800752732172784, + 0.0028817306823503246, + 0.012641592047224735, + 0.0025450730317018054, + 0.0012562314998953092, + 0.0031283408245996766, + 1.0 + ], + "normalization": "all original raw-intensity values divided by their original maximum; full spectrum retained, no mass-domain renormalization", + "relative_intensity_unit": "1", + "evidence": "measured_literature", + "source": "massbank_sm808601", + "annotations_raw": [ + { + "line": 47, + "raw": " 65.0386 C5H5+ 1 65.0386 0.51" + }, + { + "line": 48, + "raw": " 92.0494 C6H6N+ 1 92.0495 -0.66" + }, + { + "line": 49, + "raw": " 93.0572 C6H7N+ 1 93.0573 -0.75" + }, + { + "line": 50, + "raw": " 124.0755 C7H10NO+ 1 124.0757 -1.26" + }, + { + "line": 51, + "raw": " 128.062 C10H8+ 1 128.0621 -0.66" + }, + { + "line": 52, + "raw": " 143.0855 C11H11+ 1 143.0855 0.06" + }, + { + "line": 53, + "raw": " 152.0621 C12H8+ 1 152.0621 0.6" + }, + { + "line": 54, + "raw": " 153.0697 C12H9+ 1 153.0699 -0.87" + }, + { + "line": 55, + "raw": " 155.0729 C11H9N+ 1 155.073 -0.2" + }, + { + "line": 56, + "raw": " 168.0814 C12H10N+ 1 168.0808 3.44" + }, + { + "line": 57, + "raw": " 169.0885 C12H11N+ 1 169.0886 -0.34" + }, + { + "line": 58, + "raw": " 170.0963 C12H12N+ 1 170.0964 -0.77" + } + ], + "source_peak_count": 12, + "original_acquisition_type": "processed centroid peak table, loess recalibrated by RMassBank; not unprocessed detector electronics" + }, + "range_40_3000": { + "original_indices": [ + 0, + 1, + 2, + 3, + 4, + 5, + 6, + 7, + 8, + 9, + 10, + 11 + ], + "retained_raw_intensity_fraction": 1.0, + "meaning": "Fraction of sums of reported intensities, not analyte yield/ion count/charge/mass" + }, + "source": "massbank_sm808601", + "evidence": "measured_literature", + "source_field_lines": { + "ACCESSION": [ + 1 + ], + "RECORD_TITLE": [ + 2 + ], + "DATE": [ + 3 + ], + "AUTHORS": [ + 4 + ], + "LICENSE": [ + 5 + ], + "COPYRIGHT": [ + 6 + ], + "PUBLICATION": [ + 7 + ], + "COMMENT": [ + 8, + 9 + ], + "CH$NAME": [ + 10, + 11 + ], + "CH$COMPOUND_CLASS": [ + 12 + ], + "CH$FORMULA": [ + 13 + ], + "CH$EXACT_MASS": [ + 14 + ], + "CH$SMILES": [ + 15 + ], + "CH$IUPAC": [ + 16 + ], + "CH$LINK": [ + 17, + 18, + 19, + 20, + 21, + 22, + 23, + 24 + ], + "AC$INSTRUMENT": [ + 25 + ], + "AC$INSTRUMENT_TYPE": [ + 26 + ], + "AC$MASS_SPECTROMETRY": [ + 27, + 28, + 29, + 30, + 31, + 32 + ], + "AC$CHROMATOGRAPHY": [ + 33, + 34, + 35, + 36, + 37, + 38 + ], + "MS$FOCUSED_ION": [ + 39, + 40, + 41 + ], + "MS$DATA_PROCESSING": [ + 42, + 43, + 44 + ], + "PK$SPLASH": [ + 45 + ], + "PK$ANNOTATION": [ + 46 + ], + "PK$NUM_PEAK": [ + 59 + ], + "PK$PEAK": [ + 60 + ] + }, + "source_headers": { + "ACCESSION": [ + "MSBNK-CASMI_2016-SM808601" + ], + "RECORD_TITLE": [ + "Diphenylamine; LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M+H]+" + ], + "DATE": [ + "2016.12.12" + ], + "AUTHORS": [ + "Krauss M, Schymanski EL, Weidauer C, Schupke H, UFZ and Eawag" + ], + "LICENSE": [ + "CC BY" + ], + "COPYRIGHT": [ + "Copyright (C) 2016 UFZ/Eawag" + ], + "PUBLICATION": [ + "Schymanski, E. L.; Ruttkies, C.; Krauss, M.; Brouard, C.; Kind, T.; Dührkop, K.; Allen, F.; Vaniya, A.; Verdegem, D.; Böcker, S.; et al. Critical Assessment of Small Molecule Identification 2016: Automated Methods. Journal of Cheminformatics 2017, 9 (1). DOI:10.1186/s13321-017-0207-1" + ], + "COMMENT": [ + "CONFIDENCE standard compound", + "INTERNAL_ID 8086" + ], + "CH$NAME": [ + "Diphenylamine", + "N-phenylaniline" + ], + "CH$COMPOUND_CLASS": [ + "N/A; Environmental Standard" + ], + "CH$FORMULA": [ + "C12H11N" + ], + "CH$EXACT_MASS": [ + "169.08915" + ], + "CH$SMILES": [ + "N(C1=CC=CC=C1)C1=CC=CC=C1" + ], + "CH$IUPAC": [ + "InChI=1S/C12H11N/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1-10,13H" + ], + "CH$LINK": [ + "CAS 122-39-4", + "CHEBI CHEBI:4640", + "KEGG C11016", + "PUBCHEM CID:11487", + "INCHIKEY DMBHHRLKUKUOEG-UHFFFAOYSA-N", + "CHEMSPIDER 11003", + "COMPTOX DTXSID4021975", + "ChemOnt CHEMONTID:0000284; Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines" + ], + "AC$INSTRUMENT": [ + "Q Exactive Plus Orbitrap Thermo Scientific" + ], + "AC$INSTRUMENT_TYPE": [ + "LC-ESI-QFT" + ], + "AC$MASS_SPECTROMETRY": [ + "MS_TYPE MS2", + "ION_MODE POSITIVE", + "IONIZATION ESI", + "FRAGMENTATION_MODE HCD", + "COLLISION_ENERGY 35 (nominal)", + "RESOLUTION 35000" + ], + "AC$CHROMATOGRAPHY": [ + "COLUMN_NAME Kinetex C18 EVO 2.6 um, 2.1x50 mm, precolumn 2.1x5 mm, Phenomenex", + "FLOW_GRADIENT 95/5 at 0 min, 95/5 at 1 min, 0/100 at 13 min, 0/100 at 24 min", + "FLOW_RATE 300 uL/min", + "RETENTION_TIME 11.409 min", + "SOLVENT A water with 0.1% formic acid", + "SOLVENT B methanol with 0.1% formic acid" + ], + "MS$FOCUSED_ION": [ + "BASE_PEAK 65.0597", + "PRECURSOR_M/Z 170.0964", + "PRECURSOR_TYPE [M+H]+" + ], + "MS$DATA_PROCESSING": [ + "RECALIBRATE loess on assigned fragments and MS1", + "REANALYZE Peaks with additional N2/O included", + "WHOLE RMassBank 2.3.1" + ], + "PK$SPLASH": [ + "splash10-00di-2900000000-fb75046ab3bb2dcf4fe0" + ], + "PK$ANNOTATION": [ + "m/z tentative_formula formula_count mass error(ppm)" + ], + "PK$NUM_PEAK": [ + "12" + ], + "PK$PEAK": [ + "m/z int. rel.int." + ] + }, + "limitations": [ + "Source Q Exactive Plus differs from target Exploris120. Fixed MS2 spectrum transfer requires explicit host acceptance.", + "35000 source resolving power is not a selectable Exploris120 resolving-power setting; resampling does not create original resolution.", + "Polarity/adduct and reported nominal NCE are retained, but record35 versus paper stepped20/35/50 remains unresolved; even nominally matching NCE requires explicit source-condition transfer acceptance.", + "Source intensity is not concentration calibration, detector count, current or FT transient.", + "Precursor formula and mass reference are not a certified calibrant assignment; current mass-scale and response require explicit model observations.", + "All MS1 isotope probabilities are theoretical natural-isotope references; no actual ESI response or solvent-specific adduct equilibrium is claimed.", + "A single-peak MS2 record is a valid reference but does not establish a rich structural fragmentation pattern or unique molecular structure." + ] + }, + "sm808701": { + "substance_id": "sm808701", + "accession": "MSBNK-CASMI_2016-SM808701", + "name_en": "Diphenylsulfone", + "names": [ + "Diphenylsulfone", + "Diphenyl sulfone", + "Benzenesulfonylbenzene" + ], + "formula": "C12H10O2S", + "element_counts": { + "C": 12, + "H": 10, + "O": 2, + "S": 1 + }, + "inchikey": "KZTYYGOKRVBIMI-UHFFFAOYSA-N", + "inchi": "InChI=1S/C12H10O2S/c13-15(14,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H", + "smiles": "O=S(=O)(C1=CC=CC=C1)C1=CC=CC=C1", + "cas": "127-63-9", + "pubchem_cid": "CID:31386", + "molar_mass_kg_mol": 0.21827183555614438, + "molar_mass_evidence": "derived approximate average from NIST representative isotope composition, not current specimen isotopic mass", + "source_neutral_exact_mass_u": 218.04015, + "neutral_exact_mass_u": 218.04015073584, + "neutral_exact_mass_evidence": "derived from most abundant NIST isotope of each element, source rounded CH$EXACT_MASS retained separately", + "precursor_mz": 219.0474, + "precursor_mz_si_kg_c": 2.27026632349044e-06, + 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No renormalization of retained probabilities. Positive neutral molecule adds fixed CODATA proton; negative molecule loses one natural H atom and gains CODATA electron. 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LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M+H]+" + ], + "DATE": [ + "2016.12.12" + ], + "AUTHORS": [ + "Krauss M, Schymanski EL, Weidauer C, Schupke H, UFZ and Eawag" + ], + "LICENSE": [ + "CC BY" + ], + "COPYRIGHT": [ + "Copyright (C) 2016 UFZ/Eawag" + ], + "PUBLICATION": [ + "Schymanski, E. L.; Ruttkies, C.; Krauss, M.; Brouard, C.; Kind, T.; Dührkop, K.; Allen, F.; Vaniya, A.; Verdegem, D.; Böcker, S.; et al. Critical Assessment of Small Molecule Identification 2016: Automated Methods. Journal of Cheminformatics 2017, 9 (1). DOI:10.1186/s13321-017-0207-1" + ], + "COMMENT": [ + "CONFIDENCE standard compound", + "INTERNAL_ID 8087" + ], + "CH$NAME": [ + "Diphenylsulfone", + "Diphenyl sulfone", + "Benzenesulfonylbenzene" + ], + "CH$COMPOUND_CLASS": [ + "N/A; Environmental Standard" + ], + "CH$FORMULA": [ + "C12H10O2S" + ], + "CH$EXACT_MASS": [ + "218.04015" + ], + "CH$SMILES": [ + "O=S(=O)(C1=CC=CC=C1)C1=CC=CC=C1" + ], + "CH$IUPAC": [ + "InChI=1S/C12H10O2S/c13-15(14,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H" + ], + "CH$LINK": [ + "CAS 127-63-9", + "CHEBI CHEBI:78360", + "PUBCHEM CID:31386", + "INCHIKEY KZTYYGOKRVBIMI-UHFFFAOYSA-N", + "CHEMSPIDER 29117", + "COMPTOX DTXSID6041892", + "ChemOnt CHEMONTID:0004233; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzenesulfonyl compounds" + ], + "AC$INSTRUMENT": [ + "Q Exactive Plus Orbitrap Thermo Scientific" + ], + "AC$INSTRUMENT_TYPE": [ + "LC-ESI-QFT" + ], + "AC$MASS_SPECTROMETRY": [ + "MS_TYPE MS2", + "ION_MODE POSITIVE", + "IONIZATION ESI", + "FRAGMENTATION_MODE HCD", + "COLLISION_ENERGY 35 (nominal)", + "RESOLUTION 35000" + ], + "AC$CHROMATOGRAPHY": [ + "COLUMN_NAME Kinetex C18 EVO 2.6 um, 2.1x50 mm, precolumn 2.1x5 mm, Phenomenex", + "FLOW_GRADIENT 95/5 at 0 min, 95/5 at 1 min, 0/100 at 13 min, 0/100 at 24 min", + "FLOW_RATE 300 uL/min", + "RETENTION_TIME 9.673 min", + "SOLVENT A water with 0.1% formic acid", + "SOLVENT B methanol with 0.1% formic acid" + ], + "MS$FOCUSED_ION": [ + "BASE_PEAK 65.0597", + "PRECURSOR_M/Z 219.0474", + "PRECURSOR_TYPE [M+H]+" + ], + "MS$DATA_PROCESSING": [ + "RECALIBRATE loess on assigned fragments and MS1", + "REANALYZE Peaks with additional N2/O included", + "WHOLE RMassBank 2.3.1" + ], + "PK$SPLASH": [ + "splash10-014m-9870000000-3dcd1382591f7017d96f" + ], + "PK$ANNOTATION": [ + "m/z tentative_formula formula_count mass error(ppm)" + ], + "PK$NUM_PEAK": [ + "24" + ], + "PK$PEAK": [ + "m/z int. rel.int." + ] + }, + "limitations": [ + "Source Q Exactive Plus differs from target Exploris120. Fixed MS2 spectrum transfer requires explicit host acceptance.", + "35000 source resolving power is not a selectable Exploris120 resolving-power setting; resampling does not create original resolution.", + "Polarity/adduct and reported nominal NCE are retained, but record35 versus paper stepped20/35/50 remains unresolved; even nominally matching NCE requires explicit source-condition transfer acceptance.", + "Source intensity is not concentration calibration, detector count, current or FT transient.", + "Precursor formula and mass reference are not a certified calibrant assignment; current mass-scale and response require explicit model observations.", + "All MS1 isotope probabilities are theoretical natural-isotope references; no actual ESI response or solvent-specific adduct equilibrium is claimed.", + "A single-peak MS2 record is a valid reference but does not establish a rich structural fragmentation pattern or unique molecular structure." + ] + }, + "sm808801": { + "substance_id": 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LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M+H]+" + ], + "DATE": [ + "2016.12.12" + ], + "AUTHORS": [ + "Krauss M, Schymanski EL, Weidauer C, Schupke H, UFZ and Eawag" + ], + "LICENSE": [ + "CC BY" + ], + "COPYRIGHT": [ + "Copyright (C) 2016 UFZ/Eawag" + ], + "PUBLICATION": [ + "Schymanski, E. L.; Ruttkies, C.; Krauss, M.; Brouard, C.; Kind, T.; Dührkop, K.; Allen, F.; Vaniya, A.; Verdegem, D.; Böcker, S.; et al. Critical Assessment of Small Molecule Identification 2016: Automated Methods. Journal of Cheminformatics 2017, 9 (1). DOI:10.1186/s13321-017-0207-1" + ], + "COMMENT": [ + "CONFIDENCE standard compound", + "INTERNAL_ID 8088" + ], + "CH$NAME": [ + "Diphenylsulfoxide", + "Diphenyl sulfoxide", + "Benzenesulfinylbenzene" + ], + "CH$COMPOUND_CLASS": [ + "N/A; Environmental Standard" + ], + "CH$FORMULA": [ + "C12H10OS" + ], + "CH$EXACT_MASS": [ + "202.04524" + ], + "CH$SMILES": [ + "O=S(C1=CC=CC=C1)C1=CC=CC=C1" + ], + "CH$IUPAC": [ + "InChI=1S/C12H10OS/c13-14(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H" + ], + "CH$LINK": [ + "CAS 945-51-7", + "PUBCHEM CID:13679", + "INCHIKEY JJHHIJFTHRNPIK-UHFFFAOYSA-N", + "CHEMSPIDER 13090", + "COMPTOX DTXSID0022141", + "ChemOnt CHEMONTID:0004632; Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenyl sulfoxides" + ], + "AC$INSTRUMENT": [ + "Q Exactive Plus Orbitrap Thermo Scientific" + ], + "AC$INSTRUMENT_TYPE": [ + "LC-ESI-QFT" + ], + "AC$MASS_SPECTROMETRY": [ + "MS_TYPE MS2", + "ION_MODE POSITIVE", + "IONIZATION ESI", + "FRAGMENTATION_MODE HCD", + "COLLISION_ENERGY 35 (nominal)", + "RESOLUTION 35000" + ], + "AC$CHROMATOGRAPHY": [ + "COLUMN_NAME Kinetex C18 EVO 2.6 um, 2.1x50 mm, precolumn 2.1x5 mm, Phenomenex", + "FLOW_GRADIENT 95/5 at 0 min, 95/5 at 1 min, 0/100 at 13 min, 0/100 at 24 min", + "FLOW_RATE 300 uL/min", + "RETENTION_TIME 9.390 min", + "SOLVENT A water with 0.1% formic acid", + "SOLVENT B methanol with 0.1% formic acid" + ], + "MS$FOCUSED_ION": [ + "BASE_PEAK 203.0522", + "PRECURSOR_M/Z 203.0525", + "PRECURSOR_TYPE [M+H]+" + ], + "MS$DATA_PROCESSING": [ + "RECALIBRATE loess on assigned fragments and MS1", + "REANALYZE Peaks with additional N2/O included", + "WHOLE RMassBank 2.3.1" + ], + "PK$SPLASH": [ + "splash10-0udi-0890000000-806ebe8da606e6c66b33" + ], + "PK$ANNOTATION": [ + "m/z tentative_formula formula_count mass error(ppm)" + ], + "PK$NUM_PEAK": [ + "27" + ], + "PK$PEAK": [ + "m/z int. rel.int." + ] + }, + "limitations": [ + "Source Q Exactive Plus differs from target Exploris120. Fixed MS2 spectrum transfer requires explicit host acceptance.", + "35000 source resolving power is not a selectable Exploris120 resolving-power setting; resampling does not create original resolution.", + "Polarity/adduct and reported nominal NCE are retained, but record35 versus paper stepped20/35/50 remains unresolved; even nominally matching NCE requires explicit source-condition transfer acceptance.", + "Source intensity is not concentration calibration, detector count, current or FT transient.", + "Precursor formula and mass reference are not a certified calibrant assignment; current mass-scale and response require explicit model observations.", + "All MS1 isotope probabilities are theoretical natural-isotope references; no actual ESI response or solvent-specific adduct equilibrium is claimed.", + "A single-peak MS2 record is a valid reference but does not establish a rich structural fragmentation pattern or unique molecular structure." + ] + }, + "sm808902": { + "substance_id": "sm808902", + "accession": "MSBNK-CASMI_2016-SM808902", + "name_en": "Flavone", + "names": [ + "Flavone", + "2-phenylchromen-4-one" + ], + "formula": "C15H10O2", + "element_counts": { + "C": 15, + "H": 10, + "O": 2 + }, + "inchikey": "VHBFFQKBGNRLFZ-UHFFFAOYSA-N", + "inchi": "InChI=1S/C15H10O2/c16-13-10-15(11-6-2-1-3-7-11)17-14-9-5-4-8-12(13)14/h1-10H", + "smiles": "O=C1C=C(OC2=CC=CC=C12)C1=CC=CC=C1", + "cas": "525-82-6", + "pubchem_cid": "CID:10680", + "molar_mass_kg_mol": 0.22223925584022305, + "molar_mass_evidence": "derived approximate average from NIST representative isotope composition, not current specimen isotopic mass", + "source_neutral_exact_mass_u": 222.06808, + "neutral_exact_mass_u": 222.06807956144002, + "neutral_exact_mass_evidence": "derived from most abundant NIST isotope of each element, source rounded CH$EXACT_MASS retained separately", + "precursor_mz": 223.0754, + "precursor_mz_si_kg_c": 2.312013601709764e-06, + "precursor_mz_evidence": "reported precursor selection/reference setting, not independently available MS1 centroid data", + "derived_precursor_mz": 223.07535602801892, + "precursor_charge": 1, + "precursor_type": "[M+H]+", + "polarity": "positive", + "ionization": "ESI", + "fragmentation_mode": "HCD", + "instrument_type": "LC-ESI-QFT", + "instrument": "Q Exactive Plus Orbitrap Thermo Scientific", + "collision_energy": { + "value": 35.0, + "unit": "NCE", + "fraction": 0.35, + "raw": "35 (nominal)", + "unit_evidence": "RECORD_TITLE explicitly names NCE; no conversion to eV or V", + "paper_stepped_nce": [ + 20.0, + 35.0, + 50.0 + ], + "single_energy_verified": false, + "conflict": "Record labels35 NCE but cited paper Methods reports stepped20/35/50; cannot infer this is a pure35 spectrum." + }, + "source_resolution_200": 35000.0, + "source_resolution_evidence": "35000 nominal MS/MS resolving power at m/z200 documented in CASMI publication methods", + "conditions": { + "chromatography_raw": [ + "COLUMN_NAME Kinetex C18 EVO 2.6 um, 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No renormalization of retained probabilities. Positive neutral molecule adds fixed CODATA proton; negative molecule loses one natural H atom and gains CODATA electron. 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L.; Ruttkies, C.; Krauss, M.; Brouard, C.; Kind, T.; Dührkop, K.; Allen, F.; Vaniya, A.; Verdegem, D.; Böcker, S.; et al. Critical Assessment of Small Molecule Identification 2016: Automated Methods. Journal of Cheminformatics 2017, 9 (1). DOI:10.1186/s13321-017-0207-1" + ], + "COMMENT": [ + "CONFIDENCE standard compound", + "INTERNAL_ID 8089" + ], + "CH$NAME": [ + "Flavone", + "2-phenylchromen-4-one" + ], + "CH$COMPOUND_CLASS": [ + "N/A; Environmental Standard" + ], + "CH$FORMULA": [ + "C15H10O2" + ], + "CH$EXACT_MASS": [ + "222.06808" + ], + "CH$SMILES": [ + "O=C1C=C(OC2=CC=CC=C12)C1=CC=CC=C1" + ], + "CH$IUPAC": [ + "InChI=1S/C15H10O2/c16-13-10-15(11-6-2-1-3-7-11)17-14-9-5-4-8-12(13)14/h1-10H" + ], + "CH$LINK": [ + "CAS 525-82-6", + "CHEBI CHEBI:42491", + "KEGG C15608", + "LIPIDMAPS LMPK12110097", + "PUBCHEM CID:10680", + "INCHIKEY VHBFFQKBGNRLFZ-UHFFFAOYSA-N", + "CHEMSPIDER 10230", + "COMPTOX DTXSID2022048", + "ChemOnt CHEMONTID:0001615; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavones" + ], + "AC$INSTRUMENT": [ + "Q Exactive Plus Orbitrap Thermo Scientific" + ], + "AC$INSTRUMENT_TYPE": [ + "LC-ESI-QFT" + ], + "AC$MASS_SPECTROMETRY": [ + "MS_TYPE MS2", + "ION_MODE POSITIVE", + "IONIZATION ESI", + "FRAGMENTATION_MODE HCD", + "COLLISION_ENERGY 35 (nominal)", + "RESOLUTION 35000" + ], + "AC$CHROMATOGRAPHY": [ + "COLUMN_NAME Kinetex C18 EVO 2.6 um, 2.1x50 mm, precolumn 2.1x5 mm, Phenomenex", + "FLOW_GRADIENT 95/5 at 0 min, 95/5 at 1 min, 0/100 at 13 min, 0/100 at 24 min", + "FLOW_RATE 300 uL/min", + "RETENTION_TIME 11.465 min", + "SOLVENT A water with 0.1% formic acid", + "SOLVENT B methanol with 0.1% formic acid" + ], + "MS$FOCUSED_ION": [ + "BASE_PEAK 223.075", + "PRECURSOR_M/Z 223.0754", + "PRECURSOR_TYPE [M+H]+" + ], + "MS$DATA_PROCESSING": [ + "RECALIBRATE loess on assigned fragments and MS1", + "REANALYZE Peaks with additional N2/O included", + "WHOLE RMassBank 2.3.1" + ], + "PK$SPLASH": [ + "splash10-00di-0090000000-fbeb1951905acd75fd95" + ], + "PK$ANNOTATION": [ + "m/z tentative_formula formula_count mass error(ppm)" + ], + "PK$NUM_PEAK": [ + "16" + ], + "PK$PEAK": [ + "m/z int. rel.int." + ] + }, + "limitations": [ + "Source Q Exactive Plus differs from target Exploris120. 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"codata2022_u", + "codata2022_e", + "codata2022_me", + "codata2022_mp" + ], + "unit": "1", + "method": "Independent natural elemental abundances normalized per element; atomic masses each rounded once to 1e-9 u and exactly summed as integer nano-u during atom convolution; prune probability<1e-10 and cap4096 states after each atom. No renormalization of retained probabilities. Positive neutral molecule adds fixed CODATA proton; negative molecule loses one natural H atom and gains CODATA electron. Electron/proton binding-energy conventions are molecular mass approximations, not measured MS1 or isotope response.", + "physical_scope": "Derived isotope-composition probabilities, not response/ionization efficiency; instrument-resolved profile is synthetic." + }, + "ms2": { + "mass_to_charge_relative": [ + 70.0288 + ], + "mass_to_charge_si_kg_c": [ + 7.257973676676707e-07 + ], + "raw_intensity": [ + 1562221.1 + ], + "raw_intensity_unit": "unspecified instrument intensity, not counts/A/C", + "published_relative_intensity": [ + 999 + ], + "relative_intensity": [ + 1.0 + ], + "normalization": "all original raw-intensity values divided by their original maximum; full spectrum retained, no mass-domain renormalization", + "relative_intensity_unit": "1", + "evidence": "measured_literature", + "source": "massbank_sm809305", + "annotations_raw": [ + { + "line": 46, + "raw": " 70.0288 C3H4NO+ 1 70.0287 1.39" + } + ], + "source_peak_count": 1, + "original_acquisition_type": "processed centroid peak table, loess recalibrated by RMassBank; not unprocessed detector electronics" + }, + "range_40_3000": { + "original_indices": [ + 0 + ], + "retained_raw_intensity_fraction": 1.0, + "meaning": "Fraction of sums of reported intensities, not analyte yield/ion count/charge/mass" + }, + "source": "massbank_sm809305", + "evidence": "measured_literature", + "source_field_lines": { + "ACCESSION": [ + 1 + ], + "RECORD_TITLE": [ + 2 + ], + "DATE": [ + 3 + ], + "AUTHORS": [ + 4 + ], + "LICENSE": [ + 5 + ], + "COPYRIGHT": [ + 6 + ], + "PUBLICATION": [ + 7 + ], + "COMMENT": [ + 8, + 9 + ], + "CH$NAME": [ + 10, + 11 + ], + "CH$COMPOUND_CLASS": [ + 12 + ], + "CH$FORMULA": [ + 13 + ], + "CH$EXACT_MASS": [ + 14 + ], + "CH$SMILES": [ + 15 + ], + "CH$IUPAC": [ + 16 + ], + "CH$LINK": [ + 17, + 18, + 19, + 20, + 21, + 22, + 23 + ], + "AC$INSTRUMENT": [ + 24 + ], + "AC$INSTRUMENT_TYPE": [ + 25 + ], + "AC$MASS_SPECTROMETRY": [ + 26, + 27, + 28, + 29, + 30, + 31 + ], + "AC$CHROMATOGRAPHY": [ + 32, + 33, + 34, + 35, + 36, + 37 + ], + "MS$FOCUSED_ION": [ + 38, + 39, + 40 + ], + "MS$DATA_PROCESSING": [ + 41, + 42, + 43 + ], + "PK$SPLASH": [ + 44 + ], + "PK$ANNOTATION": [ + 45 + ], + "PK$NUM_PEAK": [ + 47 + ], + "PK$PEAK": [ + 48 + ] + }, + "source_headers": { + "ACCESSION": [ + "MSBNK-CASMI_2016-SM809305" + ], + "RECORD_TITLE": [ + "Oxazol; LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M+H]+" + ], + "DATE": [ + "2016.12.12" + ], + "AUTHORS": [ + "Krauss M, Schymanski EL, Weidauer C, Schupke H, UFZ and Eawag" + ], + "LICENSE": [ + "CC BY" + ], + "COPYRIGHT": [ + "Copyright (C) 2016 UFZ/Eawag" + ], + "PUBLICATION": [ + "Schymanski, E. L.; Ruttkies, C.; Krauss, M.; Brouard, C.; Kind, T.; Dührkop, K.; Allen, F.; Vaniya, A.; Verdegem, D.; Böcker, S.; et al. Critical Assessment of Small Molecule Identification 2016: Automated Methods. Journal of Cheminformatics 2017, 9 (1). DOI:10.1186/s13321-017-0207-1" + ], + "COMMENT": [ + "CONFIDENCE standard compound", + "INTERNAL_ID 8093" + ], + "CH$NAME": [ + "Oxazol", + "1,3-oxazole" + ], + "CH$COMPOUND_CLASS": [ + "N/A; Environmental Standard" + ], + "CH$FORMULA": [ + "C3H3NO" + ], + "CH$EXACT_MASS": [ + "69.02146" + ], + "CH$SMILES": [ + "O1C=CN=C1" + ], + "CH$IUPAC": [ + "InChI=1S/C3H3NO/c1-2-5-3-4-1/h1-3H" + ], + "CH$LINK": [ + "CAS 288-42-6", + "CHEBI CHEBI:35597", + "PUBCHEM CID:9255", + "INCHIKEY ZCQWOFVYLHDMMC-UHFFFAOYSA-N", + "CHEMSPIDER 8898", + "COMPTOX DTXSID70182983", + "ChemOnt CHEMONTID:0000083; Organic compounds; Organoheterocyclic compounds; Azoles; Oxazoles" + ], + "AC$INSTRUMENT": [ + "Q Exactive Plus Orbitrap Thermo Scientific" + ], + "AC$INSTRUMENT_TYPE": [ + "LC-ESI-QFT" + ], + "AC$MASS_SPECTROMETRY": [ + "MS_TYPE MS2", + "ION_MODE POSITIVE", + "IONIZATION ESI", + "FRAGMENTATION_MODE HCD", + "COLLISION_ENERGY 35 (nominal)", + "RESOLUTION 35000" + ], + "AC$CHROMATOGRAPHY": [ + "COLUMN_NAME Kinetex C18 EVO 2.6 um, 2.1x50 mm, precolumn 2.1x5 mm, Phenomenex", + "FLOW_GRADIENT 95/5 at 0 min, 95/5 at 1 min, 0/100 at 13 min, 0/100 at 24 min", + "FLOW_RATE 300 uL/min", + "RETENTION_TIME 0.700 min", + "SOLVENT A water with 0.1% formic acid", + "SOLVENT B methanol with 0.1% formic acid" + ], + "MS$FOCUSED_ION": [ + "BASE_PEAK 136.1119", + "PRECURSOR_M/Z 70.0287", + "PRECURSOR_TYPE [M+H]+" + ], + "MS$DATA_PROCESSING": [ + "RECALIBRATE loess on assigned fragments and MS1", + "REANALYZE Peaks with additional N2/O included", + "WHOLE RMassBank 2.3.1" + ], + "PK$SPLASH": [ + "splash10-00di-9000000000-ee82cf667db0c2a87159" + ], + "PK$ANNOTATION": [ + "m/z tentative_formula formula_count mass error(ppm)" + ], + "PK$NUM_PEAK": [ + "1" + ], + "PK$PEAK": [ + "m/z int. rel.int." + ] + }, + "limitations": [ + "Source Q Exactive Plus differs from target Exploris120. Fixed MS2 spectrum transfer requires explicit host acceptance.", + "35000 source resolving power is not a selectable Exploris120 resolving-power setting; resampling does not create original resolution.", + "Polarity/adduct and reported nominal NCE are retained, but record35 versus paper stepped20/35/50 remains unresolved; even nominally matching NCE requires explicit source-condition transfer acceptance.", + "Source intensity is not concentration calibration, detector count, current or FT transient.", + "Precursor formula and mass reference are not a certified calibrant assignment; current mass-scale and response require explicit model observations.", + "All MS1 isotope probabilities are theoretical natural-isotope references; no actual ESI response or solvent-specific adduct equilibrium is claimed.", + "A single-peak MS2 record is a valid reference but does not establish a rich structural fragmentation pattern or unique molecular structure." + ] + }, + "sm809453": { + "substance_id": "sm809453", + "accession": "MSBNK-CASMI_2016-SM809453", + "name_en": "Pentabromphenol", + "names": [ + "Pentabromphenol", + "2,3,4,5,6-pentabromophenol" + ], + "formula": "C6HBr5O", + "element_counts": { + "C": 6, + "H": 1, + "Br": 5, + "O": 1 + }, + "inchikey": "SVHOVVJFOWGYJO-UHFFFAOYSA-N", + "inchi": "InChI=1S/C6HBr5O/c7-1-2(8)4(10)6(12)5(11)3(1)9/h12H", + "smiles": "OC1=C(Br)C(Br)=C(Br)C(Br)=C1Br", + "cas": "608-71-9", + "pubchem_cid": "CID:11852", + "molar_mass_kg_mol": 0.48858939996133555, + "molar_mass_evidence": "derived approximate average from NIST representative isotope composition, not current specimen isotopic mass", + "source_neutral_exact_mass_u": 483.59443, + "neutral_exact_mass_u": 483.5944276518, + "neutral_exact_mass_evidence": "derived from most abundant NIST isotope of each element, source rounded CH$EXACT_MASS retained separately", + "precursor_mz": 482.5871, + "precursor_mz_si_kg_c": 5.001662842293098e-06, + "precursor_mz_evidence": "reported precursor selection/reference setting, not independently available MS1 centroid data", + "derived_precursor_mz": 482.587151199479, + "precursor_charge": -1, + "precursor_type": "[M-H]-", + "polarity": "negative", + "ionization": "ESI", + "fragmentation_mode": "HCD", + "instrument_type": "LC-ESI-QFT", + "instrument": "Q Exactive Plus Orbitrap Thermo Scientific", + "collision_energy": { + "value": 35.0, + "unit": "NCE", + "fraction": 0.35, + "raw": "35 (nominal)", + "unit_evidence": "RECORD_TITLE explicitly names NCE; no conversion to eV or V", + "paper_stepped_nce": [ + 20.0, + 35.0, + 50.0 + ], + "single_energy_verified": false, + "conflict": "Record labels35 NCE but cited paper Methods reports stepped20/35/50; cannot infer this is a pure35 spectrum." + }, + "source_resolution_200": 35000.0, + "source_resolution_evidence": "35000 nominal MS/MS resolving power at m/z200 documented in CASMI publication methods", + "conditions": { + "chromatography_raw": [ + "COLUMN_NAME Kinetex C18 EVO 2.6 um, 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No renormalization of retained probabilities. Positive neutral molecule adds fixed CODATA proton; negative molecule loses one natural H atom and gains CODATA electron. Electron/proton binding-energy conventions are molecular mass approximations, not measured MS1 or isotope response.", + "physical_scope": "Derived isotope-composition probabilities, not response/ionization efficiency; instrument-resolved profile is synthetic." + }, + "ms2": { + "mass_to_charge_relative": [ + 180.9171, + 482.5871 + ], + "mass_to_charge_si_kg_c": [ + 1.8750736118006983e-06, + 5.001662842293098e-06 + ], + "raw_intensity": [ + 3146.7, + 480856.2 + ], + "raw_intensity_unit": "unspecified instrument intensity, not counts/A/C", + "published_relative_intensity": [ + 6, + 999 + ], + "relative_intensity": [ + 0.006543952225218266, + 1.0 + ], + "normalization": "all original raw-intensity values divided by their original maximum; full spectrum retained, no mass-domain renormalization", + "relative_intensity_unit": "1", + "evidence": "measured_literature", + "source": "massbank_sm809453", + "annotations_raw": [ + { + "line": 45, + "raw": " 180.9171 C6BrNO- 1 180.9169 1.41" + }, + { + "line": 46, + "raw": " 482.5871 C6Br5O- 1 482.5871 -0.04" + } + ], + "source_peak_count": 2, + "original_acquisition_type": "processed centroid peak table, loess recalibrated by RMassBank; not unprocessed detector electronics" + }, + "range_40_3000": { + "original_indices": [ + 0, + 1 + ], + "retained_raw_intensity_fraction": 1.0, + "meaning": "Fraction of sums of reported intensities, not analyte yield/ion count/charge/mass" + }, + "source": "massbank_sm809453", + "evidence": "measured_literature", + "source_field_lines": { + "ACCESSION": [ + 1 + ], + "RECORD_TITLE": [ + 2 + ], + "DATE": [ + 3 + ], + "AUTHORS": [ + 4 + ], + "LICENSE": [ + 5 + ], + "COPYRIGHT": [ + 6 + ], + "PUBLICATION": [ + 7 + ], + "COMMENT": [ + 8, + 9 + ], + "CH$NAME": [ + 10, + 11 + ], + "CH$COMPOUND_CLASS": [ + 12 + ], + "CH$FORMULA": [ + 13 + ], + "CH$EXACT_MASS": [ + 14 + ], + "CH$SMILES": [ + 15 + ], + "CH$IUPAC": [ + 16 + ], + "CH$LINK": [ + 17, + 18, + 19, + 20, + 21, + 22 + ], + "AC$INSTRUMENT": [ + 23 + ], + "AC$INSTRUMENT_TYPE": [ + 24 + ], + "AC$MASS_SPECTROMETRY": [ + 25, + 26, + 27, + 28, + 29, + 30 + ], + "AC$CHROMATOGRAPHY": [ + 31, + 32, + 33, + 34, + 35, + 36 + ], + "MS$FOCUSED_ION": [ + 37, + 38, + 39 + ], + "MS$DATA_PROCESSING": [ + 40, + 41, + 42 + ], + "PK$SPLASH": [ + 43 + ], + "PK$ANNOTATION": [ + 44 + ], + "PK$NUM_PEAK": [ + 47 + ], + "PK$PEAK": [ + 48 + ] + }, + "source_headers": { + "ACCESSION": [ + "MSBNK-CASMI_2016-SM809453" + ], + "RECORD_TITLE": [ + "Pentabromphenol; LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M-H]-" + ], + "DATE": [ + "2016.12.12" + ], + "AUTHORS": [ + "Krauss M, Schymanski EL, Weidauer C, Schupke H, UFZ and Eawag" + ], + "LICENSE": [ + "CC BY" + ], + "COPYRIGHT": [ + "Copyright (C) 2016 UFZ/Eawag" + ], + "PUBLICATION": [ + "Schymanski, E. L.; Ruttkies, C.; Krauss, M.; Brouard, C.; Kind, T.; Dührkop, K.; Allen, F.; Vaniya, A.; Verdegem, D.; Böcker, S.; et al. Critical Assessment of Small Molecule Identification 2016: Automated Methods. Journal of Cheminformatics 2017, 9 (1). DOI:10.1186/s13321-017-0207-1" + ], + "COMMENT": [ + "CONFIDENCE Reference Standard (Level 1)", + "INTERNAL_ID 8094" + ], + "CH$NAME": [ + "Pentabromphenol", + "2,3,4,5,6-pentabromophenol" + ], + "CH$COMPOUND_CLASS": [ + "N/A; Environmental Standard" + ], + "CH$FORMULA": [ + "C6HBr5O" + ], + "CH$EXACT_MASS": [ + "483.59443" + ], + "CH$SMILES": [ + "OC1=C(Br)C(Br)=C(Br)C(Br)=C1Br" + ], + "CH$IUPAC": [ + "InChI=1S/C6HBr5O/c7-1-2(8)4(10)6(12)5(11)3(1)9/h12H" + ], + "CH$LINK": [ + "CAS 608-71-9", + "PUBCHEM CID:11852", + "INCHIKEY SVHOVVJFOWGYJO-UHFFFAOYSA-N", + "CHEMSPIDER 11359", + "COMPTOX DTXSID9022079", + "ChemOnt CHEMONTID:0002320; Organic compounds; Benzenoids; Phenols; Halophenols" + ], + "AC$INSTRUMENT": [ + "Q Exactive Plus Orbitrap Thermo Scientific" + ], + "AC$INSTRUMENT_TYPE": [ + "LC-ESI-QFT" + ], + "AC$MASS_SPECTROMETRY": [ + "MS_TYPE MS2", + "ION_MODE NEGATIVE", + "IONIZATION ESI", + "FRAGMENTATION_MODE HCD", + "COLLISION_ENERGY 35 (nominal)", + "RESOLUTION 35000" + ], + "AC$CHROMATOGRAPHY": [ + "COLUMN_NAME Kinetex C18 EVO 2.6 um, 2.1x50 mm, precolumn 2.1x5 mm, Phenomenex", + "FLOW_GRADIENT 95/5 at 0 min, 95/5 at 1 min, 0/100 at 13 min, 0/100 at 24 min", + "FLOW_RATE 300 uL/min", + "RETENTION_TIME 13.495 min", + "SOLVENT A water with 0.1% formic acid", + "SOLVENT B methanol with 0.1% formic acid" + ], + "MS$FOCUSED_ION": [ + "BASE_PEAK 486.5831", + "PRECURSOR_M/Z 482.5871", + "PRECURSOR_TYPE [M-H]-" + ], + "MS$DATA_PROCESSING": [ + "RECALIBRATE loess on assigned fragments and MS1", + "REANALYZE Peaks with additional N2/O included", + "WHOLE RMassBank 2.3.1" + ], + "PK$SPLASH": [ + "splash10-001i-0000900000-27290b141d9307c8cb01" + ], + "PK$ANNOTATION": [ + "m/z tentative_formula formula_count mass error(ppm)" + ], + "PK$NUM_PEAK": [ + "2" + ], + "PK$PEAK": [ + "m/z int. rel.int." + ] + }, + "limitations": [ + "Source Q Exactive Plus differs from target Exploris120. Fixed MS2 spectrum transfer requires explicit host acceptance.", + "35000 source resolving power is not a selectable Exploris120 resolving-power setting; resampling does not create original resolution.", + "Polarity/adduct and reported nominal NCE are retained, but record35 versus paper stepped20/35/50 remains unresolved; even nominally matching NCE requires explicit source-condition transfer acceptance.", + "Source intensity is not concentration calibration, detector count, current or FT transient.", + "Precursor formula and mass reference are not a certified calibrant assignment; current mass-scale and response require explicit model observations.", + "All MS1 isotope probabilities are theoretical natural-isotope references; no actual ESI response or solvent-specific adduct equilibrium is claimed.", + "A single-peak MS2 record is a valid reference but does not establish a rich structural fragmentation pattern or unique molecular structure." + ] + }, + "sm809756": { + "substance_id": "sm809756", + "accession": "MSBNK-CASMI_2016-SM809756", + "name_en": "2,4-diaminobenzenesulfonic acid", + "names": [ + "2,4-diaminobenzenesulfonic acid" + ], + "formula": "C6H8N2O3S", + "element_counts": { + "C": 6, + "H": 8, + "N": 2, + "O": 3, + "S": 1 + }, + "inchikey": "JVMSQRAXNZPDHF-UHFFFAOYSA-N", + "inchi": "InChI=1S/C6H8N2O3S/c7-4-1-2-6(5(8)3-4)12(9,10)11/h1-3H,7-8H2,(H,9,10,11)", + "smiles": "C1=CC(=C(C=C1N)N)S(=O)(=O)O", + "cas": "88-63-1", + "pubchem_cid": "CID:66623", + "molar_mass_kg_mol": 0.18820435001483118, + "molar_mass_evidence": "derived approximate average from NIST representative isotope composition, not current specimen isotopic mass", + "source_neutral_exact_mass_u": 188.0256, + "neutral_exact_mass_u": 188.02556329981002, + "neutral_exact_mass_evidence": "derived from most abundant NIST isotope of each element, source rounded CH$EXACT_MASS retained separately", + "precursor_mz": 187.0183, + "precursor_mz_si_kg_c": 1.93830809389398e-06, + "precursor_mz_evidence": 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No renormalization of retained probabilities. Positive neutral molecule adds fixed CODATA proton; negative molecule loses one natural H atom and gains CODATA electron. Electron/proton binding-energy conventions are molecular mass approximations, not measured MS1 or isotope response.", + "physical_scope": "Derived isotope-composition probabilities, not response/ionization efficiency; instrument-resolved profile is synthetic." + }, + "ms2": { + "mass_to_charge_relative": [ + 187.0183 + ], + "mass_to_charge_si_kg_c": [ + 1.93830809389398e-06 + ], + "raw_intensity": [ + 160897.9 + ], + "raw_intensity_unit": "unspecified instrument intensity, not counts/A/C", + "published_relative_intensity": [ + 999 + ], + "relative_intensity": [ + 1.0 + ], + "normalization": "all original raw-intensity values divided by their original maximum; full spectrum retained, no mass-domain renormalization", + "relative_intensity_unit": "1", + "evidence": "measured_literature", + "source": "massbank_sm809756", + "annotations_raw": [ + { + "line": 44, + "raw": " 187.0183 C6H7N2O3S- 1 187.0183 0.09" + } + ], + "source_peak_count": 1, + "original_acquisition_type": "processed centroid peak table, loess recalibrated by RMassBank; not unprocessed detector electronics" + }, + "range_40_3000": { + "original_indices": [ + 0 + ], + "retained_raw_intensity_fraction": 1.0, + "meaning": "Fraction of sums of reported intensities, not analyte yield/ion count/charge/mass" + }, + "source": "massbank_sm809756", + "evidence": "measured_literature", + "source_field_lines": { + "ACCESSION": [ + 1 + ], + "RECORD_TITLE": [ + 2 + ], + "DATE": [ + 3 + ], + "AUTHORS": [ + 4 + ], + "LICENSE": [ + 5 + ], + "COPYRIGHT": [ + 6 + ], + "PUBLICATION": [ + 7 + ], + "COMMENT": [ + 8, + 9 + ], + "CH$NAME": [ + 10 + ], + "CH$COMPOUND_CLASS": [ + 11 + ], + "CH$FORMULA": [ + 12 + ], + "CH$EXACT_MASS": [ + 13 + ], + "CH$SMILES": [ + 14 + ], + "CH$IUPAC": [ + 15 + ], + "CH$LINK": [ + 16, + 17, + 18, + 19, + 20, + 21 + ], + "AC$INSTRUMENT": [ + 22 + ], + "AC$INSTRUMENT_TYPE": [ + 23 + ], + "AC$MASS_SPECTROMETRY": [ + 24, + 25, + 26, + 27, + 28, + 29 + ], + "AC$CHROMATOGRAPHY": [ + 30, + 31, + 32, + 33, + 34, + 35 + ], + "MS$FOCUSED_ION": [ + 36, + 37, + 38 + ], + "MS$DATA_PROCESSING": [ + 39, + 40, + 41 + ], + "PK$SPLASH": [ + 42 + ], + "PK$ANNOTATION": [ + 43 + ], + "PK$NUM_PEAK": [ + 45 + ], + "PK$PEAK": [ + 46 + ] + }, + "source_headers": { + "ACCESSION": [ + "MSBNK-CASMI_2016-SM809756" + ], + "RECORD_TITLE": [ + "2,4-diaminobenzenesulfonic acid; LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M-H]-" + ], + "DATE": [ + "2016.12.12" + ], + "AUTHORS": [ + "Krauss M, Schymanski EL, Weidauer C, Schupke H, UFZ and Eawag" + ], + "LICENSE": [ + "CC BY" + ], + "COPYRIGHT": [ + "Copyright (C) 2016 UFZ/Eawag" + ], + "PUBLICATION": [ + "Schymanski, E. L.; Ruttkies, C.; Krauss, M.; Brouard, C.; Kind, T.; Dührkop, K.; Allen, F.; Vaniya, A.; Verdegem, D.; Böcker, S.; et al. Critical Assessment of Small Molecule Identification 2016: Automated Methods. Journal of Cheminformatics 2017, 9 (1). DOI:10.1186/s13321-017-0207-1" + ], + "COMMENT": [ + "CONFIDENCE standard compound", + "INTERNAL_ID 8097" + ], + "CH$NAME": [ + "2,4-diaminobenzenesulfonic acid" + ], + "CH$COMPOUND_CLASS": [ + "N/A; Environmental Standard" + ], + "CH$FORMULA": [ + "C6H8N2O3S" + ], + "CH$EXACT_MASS": [ + "188.0256" + ], + "CH$SMILES": [ + "C1=CC(=C(C=C1N)N)S(=O)(=O)O" + ], + "CH$IUPAC": [ + "InChI=1S/C6H8N2O3S/c7-4-1-2-6(5(8)3-4)12(9,10)11/h1-3H,7-8H2,(H,9,10,11)" + ], + "CH$LINK": [ + "CAS 88-63-1", + "PUBCHEM CID:66623", + "INCHIKEY JVMSQRAXNZPDHF-UHFFFAOYSA-N", + "CHEMSPIDER 59990", + "COMPTOX DTXSID3044465", + "ChemOnt CHEMONTID:0000032; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzenesulfonic acids and derivatives" + ], + "AC$INSTRUMENT": [ + "Q Exactive Plus Orbitrap Thermo Scientific" + ], + "AC$INSTRUMENT_TYPE": [ + "LC-ESI-QFT" + ], + "AC$MASS_SPECTROMETRY": [ + "MS_TYPE MS2", + "ION_MODE NEGATIVE", + "IONIZATION ESI", + "FRAGMENTATION_MODE HCD", + "COLLISION_ENERGY 35 (nominal)", + "RESOLUTION 35000" + ], + "AC$CHROMATOGRAPHY": [ + "COLUMN_NAME Kinetex C18 EVO 2.6 um, 2.1x50 mm, precolumn 2.1x5 mm, Phenomenex", + "FLOW_GRADIENT 95/5 at 0 min, 95/5 at 1 min, 0/100 at 13 min, 0/100 at 24 min", + "FLOW_RATE 300 uL/min", + "RETENTION_TIME 0.473 min", + "SOLVENT A water with 0.1% formic acid", + "SOLVENT B methanol with 0.1% formic acid" + ], + "MS$FOCUSED_ION": [ + "BASE_PEAK 91.0022", + "PRECURSOR_M/Z 187.0183", + "PRECURSOR_TYPE [M-H]-" + ], + "MS$DATA_PROCESSING": [ + "RECALIBRATE loess on assigned fragments and MS1", + "REANALYZE Peaks with additional N2/O included", + "WHOLE RMassBank 2.3.1" + ], + "PK$SPLASH": [ + "splash10-000i-0900000000-e4fa1e30a464548bc979" + ], + "PK$ANNOTATION": [ + "m/z tentative_formula formula_count mass error(ppm)" + ], + "PK$NUM_PEAK": [ + "1" + ], + "PK$PEAK": [ + "m/z int. rel.int." + ] + }, + "limitations": [ + "Source Q Exactive Plus differs from target Exploris120. Fixed MS2 spectrum transfer requires explicit host acceptance.", + "35000 source resolving power is not a selectable Exploris120 resolving-power setting; resampling does not create original resolution.", + "Polarity/adduct and reported nominal NCE are retained, but record35 versus paper stepped20/35/50 remains unresolved; even nominally matching NCE requires explicit source-condition transfer acceptance.", + "Source intensity is not concentration calibration, detector count, current or FT transient.", + "Precursor formula and mass reference are not a certified calibrant assignment; current mass-scale and response require explicit model observations.", + "All MS1 isotope probabilities are theoretical natural-isotope references; no actual ESI response or solvent-specific adduct equilibrium is claimed.", + "A single-peak MS2 record is a valid reference but does not establish a rich structural fragmentation pattern or unique molecular structure." + ] + }, + "sm809801": { + "substance_id": "sm809801", + "accession": "MSBNK-CASMI_2016-SM809801", + "name_en": "2,6-Xylidine", + "names": [ + "2,6-Xylidine", + "2,6-dimethylaniline" + ], + "formula": "C8H11N", + "element_counts": { + "C": 8, + "H": 11, + "N": 1 + }, + "inchikey": "UFFBMTHBGFGIHF-UHFFFAOYSA-N", + "inchi": "InChI=1S/C8H11N/c1-6-4-3-5-7(2)8(6)9/h3-5H,9H2,1-2H3", + "smiles": "CC1=C(C(=CC=C1)C)N", + "cas": "87-62-7", + "pubchem_cid": "CID:6896", + "molar_mass_kg_mol": 0.12117993867994133, + "molar_mass_evidence": "derived approximate average from NIST representative isotope composition, not current specimen isotopic mass", + "source_neutral_exact_mass_u": 121.08915, + "neutral_exact_mass_u": 121.08914935896, + "neutral_exact_mass_evidence": "derived from most abundant NIST isotope of each element, source rounded CH$EXACT_MASS retained separately", + "precursor_mz": 122.0964, + "precursor_mz_si_kg_c": 1.2654400149895326e-06, + "precursor_mz_evidence": "reported precursor selection/reference setting, not independently available MS1 centroid data", + "derived_precursor_mz": 122.0964258255389, + "precursor_charge": 1, + "precursor_type": "[M+H]+", + "polarity": "positive", + "ionization": "ESI", + "fragmentation_mode": "HCD", + "instrument_type": "LC-ESI-QFT", + "instrument": "Q Exactive Plus Orbitrap Thermo Scientific", + "collision_energy": { + "value": 35.0, + "unit": "NCE", + "fraction": 0.35, + "raw": "35 (nominal)", + "unit_evidence": "RECORD_TITLE explicitly names NCE; 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No renormalization of retained probabilities. Positive neutral molecule adds fixed CODATA proton; negative molecule loses one natural H atom and gains CODATA electron. 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L.; Ruttkies, C.; Krauss, M.; Brouard, C.; Kind, T.; Dührkop, K.; Allen, F.; Vaniya, A.; Verdegem, D.; Böcker, S.; et al. Critical Assessment of Small Molecule Identification 2016: Automated Methods. Journal of Cheminformatics 2017, 9 (1). DOI:10.1186/s13321-017-0207-1" + ], + "COMMENT": [ + "CONFIDENCE standard compound", + "INTERNAL_ID 8098" + ], + "CH$NAME": [ + "2,6-Xylidine", + "2,6-dimethylaniline" + ], + "CH$COMPOUND_CLASS": [ + "N/A; Environmental Standard" + ], + "CH$FORMULA": [ + "C8H11N" + ], + "CH$EXACT_MASS": [ + "121.08915" + ], + "CH$SMILES": [ + "CC1=C(C(=CC=C1)C)N" + ], + "CH$IUPAC": [ + "InChI=1S/C8H11N/c1-6-4-3-5-7(2)8(6)9/h3-5H,9H2,1-2H3" + ], + "CH$LINK": [ + "CAS 87-62-7", + "CHEBI CHEBI:28738", + "KEGG C11004", + "PUBCHEM CID:6896", + "INCHIKEY UFFBMTHBGFGIHF-UHFFFAOYSA-N", + "CHEMSPIDER 6630", + "COMPTOX DTXSID8026307", + "ChemOnt CHEMONTID:0004208; Organic compounds; Benzenoids; Benzene and substituted derivatives; Xylenes" + ], + "AC$INSTRUMENT": [ + "Q Exactive Plus Orbitrap Thermo Scientific" + ], + "AC$INSTRUMENT_TYPE": [ + "LC-ESI-QFT" + ], + "AC$MASS_SPECTROMETRY": [ + "MS_TYPE MS2", + "ION_MODE POSITIVE", + "IONIZATION ESI", + "FRAGMENTATION_MODE HCD", + "COLLISION_ENERGY 35 (nominal)", + "RESOLUTION 35000" + ], + "AC$CHROMATOGRAPHY": [ + "COLUMN_NAME Kinetex C18 EVO 2.6 um, 2.1x50 mm, precolumn 2.1x5 mm, Phenomenex", + "FLOW_GRADIENT 95/5 at 0 min, 95/5 at 1 min, 0/100 at 13 min, 0/100 at 24 min", + "FLOW_RATE 300 uL/min", + "RETENTION_TIME 1.624 min", + "SOLVENT A water with 0.1% formic acid", + "SOLVENT B methanol with 0.1% formic acid" + ], + "MS$FOCUSED_ION": [ + "BASE_PEAK 122.0962", + "PRECURSOR_M/Z 122.0964", + "PRECURSOR_TYPE [M+H]+" + ], + "MS$DATA_PROCESSING": [ + "RECALIBRATE loess on assigned fragments and MS1", + "REANALYZE Peaks with additional N2/O included", + "WHOLE RMassBank 2.3.1" + ], + "PK$SPLASH": [ + "splash10-00di-0900000000-462e631b8e496a2f6da0" + ], + "PK$ANNOTATION": [ + "m/z tentative_formula formula_count mass error(ppm)" + ], + "PK$NUM_PEAK": [ + "11" + ], + "PK$PEAK": [ + "m/z int. rel.int." + ] + }, + "limitations": [ + "Source Q Exactive Plus differs from target Exploris120. Fixed MS2 spectrum transfer requires explicit host acceptance.", + "35000 source resolving power is not a selectable Exploris120 resolving-power setting; resampling does not create original resolution.", + "Polarity/adduct and reported nominal NCE are retained, but record35 versus paper stepped20/35/50 remains unresolved; even nominally matching NCE requires explicit source-condition transfer acceptance.", + "Source intensity is not concentration calibration, detector count, current or FT transient.", + "Precursor formula and mass reference are not a certified calibrant assignment; current mass-scale and response require explicit model observations.", + "All MS1 isotope probabilities are theoretical natural-isotope references; no actual ESI response or solvent-specific adduct equilibrium is claimed.", + "A single-peak MS2 record is a valid reference but does not establish a rich structural fragmentation pattern or unique molecular structure." + ] + }, + "sm809901": { + "substance_id": 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L.; Ruttkies, C.; Krauss, M.; Brouard, C.; Kind, T.; Dührkop, K.; Allen, F.; Vaniya, A.; Verdegem, D.; Böcker, S.; et al. Critical Assessment of Small Molecule Identification 2016: Automated Methods. Journal of Cheminformatics 2017, 9 (1). DOI:10.1186/s13321-017-0207-1" + ], + "COMMENT": [ + "CONFIDENCE standard compound", + "INTERNAL_ID 8099" + ], + "CH$NAME": [ + "2-Nitrobenzamide", + "2-Nitrobenzamid" + ], + "CH$COMPOUND_CLASS": [ + "N/A; Environmental Standard" + ], + "CH$FORMULA": [ + "C7H6N2O3" + ], + "CH$EXACT_MASS": [ + "166.03784" + ], + "CH$SMILES": [ + "NC(=O)C1=C(C=CC=C1)[N+]([O-])=O" + ], + "CH$IUPAC": [ + "InChI=1S/C7H6N2O3/c8-7(10)5-3-1-2-4-6(5)9(11)12/h1-4H,(H2,8,10)" + ], + "CH$LINK": [ + "CAS 610-15-1", + "PUBCHEM CID:11876", + "INCHIKEY KLGQWSOYKYFBTR-UHFFFAOYSA-N", + "CHEMSPIDER 11178542", + "COMPTOX DTXSID0025733", + "ChemOnt CHEMONTID:0000036; Organic compounds; Benzenoids; Benzene and substituted derivatives; Nitrobenzenes" + ], + "AC$INSTRUMENT": [ + "Q Exactive Plus Orbitrap Thermo Scientific" + ], + "AC$INSTRUMENT_TYPE": [ + "LC-ESI-QFT" + ], + "AC$MASS_SPECTROMETRY": [ + "MS_TYPE MS2", + "ION_MODE POSITIVE", + "IONIZATION ESI", + "FRAGMENTATION_MODE HCD", + "COLLISION_ENERGY 35 (nominal)", + "RESOLUTION 35000" + ], + "AC$CHROMATOGRAPHY": [ + "COLUMN_NAME Kinetex C18 EVO 2.6 um, 2.1x50 mm, precolumn 2.1x5 mm, Phenomenex", + "FLOW_GRADIENT 95/5 at 0 min, 95/5 at 1 min, 0/100 at 13 min, 0/100 at 24 min", + "FLOW_RATE 300 uL/min", + "RETENTION_TIME 0.946 min", + "SOLVENT A water with 0.1% formic acid", + "SOLVENT B methanol with 0.1% formic acid" + ], + "MS$FOCUSED_ION": [ + "BASE_PEAK 117.0909", + "PRECURSOR_M/Z 167.0451", + "PRECURSOR_TYPE [M+H]+" + ], + "MS$DATA_PROCESSING": [ + "RECALIBRATE loess on assigned fragments and MS1", + "REANALYZE Peaks with additional N2/O included", + "WHOLE RMassBank 2.3.1" + ], + "PK$SPLASH": [ + "splash10-0udi-2900000000-b4968c80a794a687cb36" + ], + "PK$ANNOTATION": [ + "m/z tentative_formula formula_count mass error(ppm)" + ], + "PK$NUM_PEAK": [ + "10" + ], + "PK$PEAK": [ + "m/z int. rel.int." + ] + }, + "limitations": [ + "Source Q Exactive Plus differs from target Exploris120. Fixed MS2 spectrum transfer requires explicit host acceptance.", + "35000 source resolving power is not a selectable Exploris120 resolving-power setting; resampling does not create original resolution.", + "Polarity/adduct and reported nominal NCE are retained, but record35 versus paper stepped20/35/50 remains unresolved; even nominally matching NCE requires explicit source-condition transfer acceptance.", + "Source intensity is not concentration calibration, detector count, current or FT transient.", + "Precursor formula and mass reference are not a certified calibrant assignment; current mass-scale and response require explicit model observations.", + "All MS1 isotope probabilities are theoretical natural-isotope references; no actual ESI response or solvent-specific adduct equilibrium is claimed.", + "A single-peak MS2 record is a valid reference but does not establish a rich structural fragmentation pattern or unique molecular structure." + ] + }, + "sm810352": { + "substance_id": "sm810352", + "accession": "MSBNK-CASMI_2016-SM810352", + "name_en": "3,4,5-Trichlorphenol", + "names": [ + "3,4,5-Trichlorphenol" + ], + "formula": "C6H3Cl3O", + "element_counts": { + "C": 6, + "H": 3, + "Cl": 3, + "O": 1 + }, + "inchikey": "GBNHEBQXJVDXSW-UHFFFAOYSA-N", + "inchi": "InChI=1S/C6H3Cl3O/c7-4-1-3(10)2-5(8)6(4)9/h1-2,10H", + "smiles": "OC1=CC(Cl)=C(Cl)C(Cl)=C1", + "cas": "609-19-8", + "pubchem_cid": "CID:11859", + "molar_mass_kg_mol": 0.1974464553147211, + "molar_mass_evidence": "derived approximate average from NIST representative isotope composition, not current specimen isotopic mass", + "source_neutral_exact_mass_u": 195.92495, + "neutral_exact_mass_u": 195.92494776226, + "neutral_exact_mass_evidence": "derived from most abundant NIST isotope of each element, source rounded CH$EXACT_MASS retained separately", + "precursor_mz": 194.9177, + "precursor_mz_si_kg_c": 2.0201796057027495e-06, + "precursor_mz_evidence": "reported precursor selection/reference setting, not independently available MS1 centroid data", + "derived_precursor_mz": 194.91767130993904, + "precursor_charge": -1, + "precursor_type": "[M-H]-", + "polarity": "negative", + "ionization": "ESI", + "fragmentation_mode": "HCD", + "instrument_type": "LC-ESI-QFT", + "instrument": "Q Exactive Plus Orbitrap Thermo Scientific", + "collision_energy": { + "value": 35.0, + "unit": "NCE", + "fraction": 0.35, + "raw": "35 (nominal)", + "unit_evidence": "RECORD_TITLE explicitly names NCE; no conversion to eV or V", + "paper_stepped_nce": [ + 20.0, + 35.0, + 50.0 + ], + "single_energy_verified": false, + "conflict": "Record labels35 NCE but cited paper Methods reports stepped20/35/50; cannot infer this is a pure35 spectrum." + }, + "source_resolution_200": 35000.0, + "source_resolution_evidence": "35000 nominal MS/MS resolving power at m/z200 documented in CASMI publication methods", + "conditions": { + "chromatography_raw": [ + "COLUMN_NAME Kinetex C18 EVO 2.6 um, 2.1x50 mm, precolumn 2.1x5 mm, Phenomenex", + "FLOW_GRADIENT 95/5 at 0 min, 95/5 at 1 min, 0/100 at 13 min, 0/100 at 24 min", + "FLOW_RATE 300 uL/min", + "RETENTION_TIME 11.775 min", + "SOLVENT A water with 0.1% formic acid", + "SOLVENT B methanol with 0.1% formic acid" + ], + "spectrometry_raw": [ + "MS_TYPE MS2", + "ION_MODE NEGATIVE", + "IONIZATION ESI", + "FRAGMENTATION_MODE HCD", + "COLLISION_ENERGY 35 (nominal)", + "RESOLUTION 35000" + ], + "data_processing_raw": [ + "RECALIBRATE loess on assigned fragments and MS1", + "REANALYZE Peaks with additional N2/O included", + "WHOLE RMassBank 2.3.1" + ], + "confidence_raw": [ + "CONFIDENCE Reference Standard (Level 1)", + "INTERNAL_ID 8103" + ], + "sample_concentration_kg_m3": null, + "temperature_k": null, + "electronic_profile_available": false, + "measured_on_exploris120": false + }, + "record_kind": "measured_processed_ms2_reference", + "physical_input_eligible": true, + "mass_reference_eligible": true, + "concentration_calibration_eligible": false, + 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each rounded once to 1e-9 u and exactly summed as integer nano-u during atom convolution; prune probability<1e-10 and cap4096 states after each atom. No renormalization of retained probabilities. Positive neutral molecule adds fixed CODATA proton; negative molecule loses one natural H atom and gains CODATA electron. Electron/proton binding-energy conventions are molecular mass approximations, not measured MS1 or isotope response.", + "physical_scope": "Derived isotope-composition probabilities, not response/ionization efficiency; instrument-resolved profile is synthetic." + }, + "ms2": { + "mass_to_charge_relative": [ + 122.9638, + 158.941, + 194.9176 + ], + "mass_to_charge_si_kg_c": [ + 1.274429982498828e-06, + 1.6473073851682056e-06, + 2.020178569275783e-06 + ], + "raw_intensity": [ + 100511.8, + 15741892.0, + 45640724.0 + ], + "raw_intensity_unit": "unspecified instrument intensity, not counts/A/C", + "published_relative_intensity": [ + 2, + 344, + 999 + ], + "relative_intensity": [ + 0.002202239386036032, + 0.34490890197096785, + 1.0 + ], + "normalization": "all original raw-intensity values divided by their original maximum; full spectrum retained, no mass-domain renormalization", + "relative_intensity_unit": "1", + "evidence": "measured_literature", + "source": "massbank_sm810352", + "annotations_raw": [ + { + "line": 44, + "raw": " 122.9638 C6ClO- 1 122.9643 -4.38" + }, + { + "line": 45, + "raw": " 158.941 C6HCl2O- 1 158.941 -0.05" + }, + { + "line": 46, + "raw": " 194.9176 C6H2Cl3O- 1 194.9177 -0.23" + } + ], + "source_peak_count": 3, + "original_acquisition_type": "processed centroid peak table, loess recalibrated by RMassBank; not unprocessed detector electronics" + }, + "range_40_3000": { + "original_indices": [ + 0, + 1, + 2 + ], + "retained_raw_intensity_fraction": 1.0, + "meaning": "Fraction of sums of reported intensities, not analyte yield/ion count/charge/mass" + }, + "source": "massbank_sm810352", + "evidence": "measured_literature", + "source_field_lines": { + "ACCESSION": [ + 1 + ], + "RECORD_TITLE": [ + 2 + ], + "DATE": [ + 3 + ], + "AUTHORS": [ + 4 + ], + "LICENSE": [ + 5 + ], + "COPYRIGHT": [ + 6 + ], + "PUBLICATION": [ + 7 + ], + "COMMENT": [ + 8, + 9 + ], + "CH$NAME": [ + 10 + ], + "CH$COMPOUND_CLASS": [ + 11 + ], + "CH$FORMULA": [ + 12 + ], + "CH$EXACT_MASS": [ + 13 + ], + "CH$SMILES": [ + 14 + ], + "CH$IUPAC": [ + 15 + ], + "CH$LINK": [ + 16, + 17, + 18, + 19, + 20, + 21 + ], + "AC$INSTRUMENT": [ + 22 + ], + "AC$INSTRUMENT_TYPE": [ + 23 + ], + "AC$MASS_SPECTROMETRY": [ + 24, + 25, + 26, + 27, + 28, + 29 + ], + "AC$CHROMATOGRAPHY": [ + 30, + 31, + 32, + 33, + 34, + 35 + ], + "MS$FOCUSED_ION": [ + 36, + 37, + 38 + ], + "MS$DATA_PROCESSING": [ + 39, + 40, + 41 + ], + "PK$SPLASH": [ + 42 + ], + "PK$ANNOTATION": [ + 43 + ], + "PK$NUM_PEAK": [ + 47 + ], + "PK$PEAK": [ + 48 + ] + }, + "source_headers": { + "ACCESSION": [ + "MSBNK-CASMI_2016-SM810352" + ], + "RECORD_TITLE": [ + "3,4,5-Trichlorphenol; LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M-H]-" + ], + "DATE": [ + "2016.12.12" + ], + "AUTHORS": [ + "Krauss M, Schymanski EL, Weidauer C, Schupke H, UFZ and Eawag" + ], + "LICENSE": [ + "CC BY" + ], + "COPYRIGHT": [ + "Copyright (C) 2016 UFZ/Eawag" + ], + "PUBLICATION": [ + "Schymanski, E. L.; Ruttkies, C.; Krauss, M.; Brouard, C.; Kind, T.; Dührkop, K.; Allen, F.; Vaniya, A.; Verdegem, D.; Böcker, S.; et al. Critical Assessment of Small Molecule Identification 2016: Automated Methods. Journal of Cheminformatics 2017, 9 (1). DOI:10.1186/s13321-017-0207-1" + ], + "COMMENT": [ + "CONFIDENCE Reference Standard (Level 1)", + "INTERNAL_ID 8103" + ], + "CH$NAME": [ + "3,4,5-Trichlorphenol" + ], + "CH$COMPOUND_CLASS": [ + "N/A; Environmental Standard" + ], + "CH$FORMULA": [ + "C6H3Cl3O" + ], + "CH$EXACT_MASS": [ + "195.92495" + ], + "CH$SMILES": [ + "OC1=CC(Cl)=C(Cl)C(Cl)=C1" + ], + "CH$IUPAC": [ + "InChI=1S/C6H3Cl3O/c7-4-1-3(10)2-5(8)6(4)9/h1-2,10H" + ], + "CH$LINK": [ + "CAS 609-19-8", + "PUBCHEM CID:11859", + "INCHIKEY GBNHEBQXJVDXSW-UHFFFAOYSA-N", + "CHEMSPIDER 11366", + "COMPTOX DTXSID4026212", + "ChemOnt CHEMONTID:0002320; Organic compounds; Benzenoids; Phenols; Halophenols" + ], + "AC$INSTRUMENT": [ + "Q Exactive Plus Orbitrap Thermo Scientific" + ], + "AC$INSTRUMENT_TYPE": [ + "LC-ESI-QFT" + ], + "AC$MASS_SPECTROMETRY": [ + "MS_TYPE MS2", + "ION_MODE NEGATIVE", + "IONIZATION ESI", + "FRAGMENTATION_MODE HCD", + "COLLISION_ENERGY 35 (nominal)", + "RESOLUTION 35000" + ], + "AC$CHROMATOGRAPHY": [ + "COLUMN_NAME Kinetex C18 EVO 2.6 um, 2.1x50 mm, precolumn 2.1x5 mm, Phenomenex", + "FLOW_GRADIENT 95/5 at 0 min, 95/5 at 1 min, 0/100 at 13 min, 0/100 at 24 min", + "FLOW_RATE 300 uL/min", + "RETENTION_TIME 11.775 min", + "SOLVENT A water with 0.1% formic acid", + "SOLVENT B methanol with 0.1% formic acid" + ], + "MS$FOCUSED_ION": [ + "BASE_PEAK 91.0022", + "PRECURSOR_M/Z 194.9177", + "PRECURSOR_TYPE [M-H]-" + ], + "MS$DATA_PROCESSING": [ + "RECALIBRATE loess on assigned fragments and MS1", + "REANALYZE Peaks with additional N2/O included", + "WHOLE RMassBank 2.3.1" + ], + "PK$SPLASH": [ + "splash10-0006-0900000000-2e63af8502024498cd85" + ], + "PK$ANNOTATION": [ + "m/z tentative_formula formula_count mass error(ppm)" + ], + "PK$NUM_PEAK": [ + "3" + ], + "PK$PEAK": [ + "m/z int. rel.int." + ] + }, + "limitations": [ + "Source Q Exactive Plus differs from target Exploris120. Fixed MS2 spectrum transfer requires explicit host acceptance.", + "35000 source resolving power is not a selectable Exploris120 resolving-power setting; resampling does not create original resolution.", + "Polarity/adduct and reported nominal NCE are retained, but record35 versus paper stepped20/35/50 remains unresolved; even nominally matching NCE requires explicit source-condition transfer acceptance.", + "Source intensity is not concentration calibration, detector count, current or FT transient.", + "Precursor formula and mass reference are not a certified calibrant assignment; current mass-scale and response require explicit model observations.", + "All MS1 isotope probabilities are theoretical natural-isotope references; no actual ESI response or solvent-specific adduct equilibrium is claimed.", + "A single-peak MS2 record is a valid reference but does not establish a rich structural fragmentation pattern or unique molecular structure." + ] + }, + "sm810401": { + "substance_id": "sm810401", + "accession": "MSBNK-CASMI_2016-SM810401", + "name_en": "3,4-Dichloroaniline", + "names": [ + "3,4-Dichloroaniline" + ], + "formula": "C6H5Cl2N", + "element_counts": { + "C": 6, + "H": 5, + "Cl": 2, + "N": 1 + }, + "inchikey": "SDYWXFYBZPNOFX-UHFFFAOYSA-N", + "inchi": "InChI=1S/C6H5Cl2N/c7-5-2-1-4(9)3-6(5)8/h1-3H,9H2", + "smiles": "C1=CC(=C(C=C1N)Cl)Cl", + "cas": "95-76-1", + "pubchem_cid": "CID:7257", + "molar_mass_kg_mol": 0.16201669752735218, + "molar_mass_evidence": "derived approximate average from NIST representative isotope composition, not current specimen isotopic mass", + "source_neutral_exact_mass_u": 160.9799, + "neutral_exact_mass_u": 160.97990452957998, + "neutral_exact_mass_evidence": "derived from most abundant NIST isotope of each element, source rounded CH$EXACT_MASS retained separately", + "precursor_mz": 161.9872, + "precursor_mz_si_kg_c": 1.6788790234283109e-06, + "precursor_mz_evidence": "reported precursor selection/reference setting, not 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Electron/proton binding-energy conventions are molecular mass approximations, not measured MS1 or isotope response.", + "physical_scope": "Derived isotope-composition probabilities, not response/ionization efficiency; instrument-resolved profile is synthetic." + }, + "ms2": { + "mass_to_charge_relative": [ + 126.0105, + 127.0183, + 144.9606, + 160.9792, + 161.9871, + 172.9668 + ], + "mass_to_charge_si_kg_c": [ + 1.3060068028937667e-06, + 1.3164519138643312e-06, + 1.5024107495134306e-06, + 1.6684318396038127e-06, + 1.6788779870013443e-06, + 1.7926745586658698e-06 + ], + "raw_intensity": [ + 15577.1, + 3798914.2, + 17477.7, + 12762.9, + 8632358.0, + 76211.4 + ], + "raw_intensity_unit": "unspecified instrument intensity, not counts/A/C", + "published_relative_intensity": [ + 1, + 439, + 2, + 1, + 999, + 8 + ], + "relative_intensity": [ + 0.0018045011571577547, + 0.4400783887785933, + 0.0020246727487437384, + 0.0014784952153281872, + 1.0, + 0.00882857267967802 + ], + "normalization": "all original raw-intensity values divided by their original maximum; full spectrum retained, no mass-domain renormalization", + "relative_intensity_unit": "1", + "evidence": "measured_literature", + "source": "massbank_sm810401", + "annotations_raw": [ + { + "line": 46, + "raw": " 126.0105 C6H5ClN+ 1 126.0105 0.18" + }, + { + "line": 47, + "raw": " 127.0183 C6H6ClN+ 1 127.0183 -0.18" + }, + { + "line": 48, + "raw": " 144.9606 C6H3Cl2+ 1 144.9606 0.03" + }, + { + "line": 49, + "raw": " 160.9792 C6H5Cl2N+ 1 160.9794 -1.22" + }, + { + "line": 50, + "raw": " 161.9871 C6H6Cl2N+ 1 161.9872 -0.25" + }, + { + "line": 51, + "raw": " 172.9668 C6H3Cl2N2+ 1 172.9668 -0.17" + } + ], + "source_peak_count": 6, + "original_acquisition_type": "processed centroid peak table, loess recalibrated by RMassBank; not unprocessed detector electronics" + }, + "range_40_3000": { + "original_indices": [ + 0, + 1, + 2, + 3, + 4, + 5 + ], + "retained_raw_intensity_fraction": 1.0, + "meaning": "Fraction of sums of reported intensities, not analyte yield/ion count/charge/mass" + }, + "source": "massbank_sm810401", + "evidence": "measured_literature", + "source_field_lines": { + "ACCESSION": [ + 1 + ], + "RECORD_TITLE": [ + 2 + ], + "DATE": [ + 3 + ], + "AUTHORS": [ + 4 + ], + "LICENSE": [ + 5 + ], + "COPYRIGHT": [ + 6 + ], + "PUBLICATION": [ + 7 + ], + "COMMENT": [ + 8, + 9 + ], + "CH$NAME": [ + 10 + ], + "CH$COMPOUND_CLASS": [ + 11 + ], + "CH$FORMULA": [ + 12 + ], + "CH$EXACT_MASS": [ + 13 + ], + "CH$SMILES": [ + 14 + ], + "CH$IUPAC": [ + 15 + ], + "CH$LINK": [ + 16, + 17, + 18, + 19, + 20, + 21, + 22, + 23 + ], + "AC$INSTRUMENT": [ + 24 + ], + "AC$INSTRUMENT_TYPE": [ + 25 + ], + "AC$MASS_SPECTROMETRY": [ + 26, + 27, + 28, + 29, + 30, + 31 + ], + "AC$CHROMATOGRAPHY": [ + 32, + 33, + 34, + 35, + 36, + 37 + ], + "MS$FOCUSED_ION": [ + 38, + 39, + 40 + ], + "MS$DATA_PROCESSING": [ + 41, + 42, + 43 + ], + "PK$SPLASH": [ + 44 + ], + "PK$ANNOTATION": [ + 45 + ], + "PK$NUM_PEAK": [ + 52 + ], + "PK$PEAK": [ + 53 + ] + }, + "source_headers": { + "ACCESSION": [ + "MSBNK-CASMI_2016-SM810401" + ], + "RECORD_TITLE": [ + "3,4-Dichloroaniline; LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M+H]+" + ], + "DATE": [ + "2016.12.12" + ], + "AUTHORS": [ + "Krauss M, Schymanski EL, Weidauer C, Schupke H, UFZ and Eawag" + ], + "LICENSE": [ + "CC BY" + ], + "COPYRIGHT": [ + "Copyright (C) 2016 UFZ/Eawag" + ], + "PUBLICATION": [ + "Schymanski, E. L.; Ruttkies, C.; Krauss, M.; Brouard, C.; Kind, T.; Dührkop, K.; Allen, F.; Vaniya, A.; Verdegem, D.; Böcker, S.; et al. Critical Assessment of Small Molecule Identification 2016: Automated Methods. Journal of Cheminformatics 2017, 9 (1). DOI:10.1186/s13321-017-0207-1" + ], + "COMMENT": [ + "CONFIDENCE standard compound", + "INTERNAL_ID 8104" + ], + "CH$NAME": [ + "3,4-Dichloroaniline" + ], + "CH$COMPOUND_CLASS": [ + "N/A; Environmental Standard" + ], + "CH$FORMULA": [ + "C6H5Cl2N" + ], + "CH$EXACT_MASS": [ + "160.97990" + ], + "CH$SMILES": [ + "C1=CC(=C(C=C1N)Cl)Cl" + ], + "CH$IUPAC": [ + "InChI=1S/C6H5Cl2N/c7-5-2-1-4(9)3-6(5)8/h1-3H,9H2" + ], + "CH$LINK": [ + "CAS 95-76-1", + "CHEBI CHEBI:16767", + "KEGG C02791", + "PUBCHEM CID:7257", + "INCHIKEY SDYWXFYBZPNOFX-UHFFFAOYSA-N", + "CHEMSPIDER 13860720", + "COMPTOX DTXSID7021815", + "ChemOnt CHEMONTID:0000035; Organic compounds; Benzenoids; Benzene and substituted derivatives; Halobenzenes" + ], + "AC$INSTRUMENT": [ + "Q Exactive Plus Orbitrap Thermo Scientific" + ], + "AC$INSTRUMENT_TYPE": [ + "LC-ESI-QFT" + ], + "AC$MASS_SPECTROMETRY": [ + "MS_TYPE MS2", + "ION_MODE POSITIVE", + "IONIZATION ESI", + "FRAGMENTATION_MODE HCD", + "COLLISION_ENERGY 35 (nominal)", + "RESOLUTION 35000" + ], + "AC$CHROMATOGRAPHY": [ + "COLUMN_NAME Kinetex C18 EVO 2.6 um, 2.1x50 mm, precolumn 2.1x5 mm, Phenomenex", + "FLOW_GRADIENT 95/5 at 0 min, 95/5 at 1 min, 0/100 at 13 min, 0/100 at 24 min", + "FLOW_RATE 300 uL/min", + "RETENTION_TIME 8.385 min", + "SOLVENT A water with 0.1% formic acid", + "SOLVENT B methanol with 0.1% formic acid" + ], + "MS$FOCUSED_ION": [ + "BASE_PEAK 114.0912", + "PRECURSOR_M/Z 161.9872", + "PRECURSOR_TYPE [M+H]+" + ], + "MS$DATA_PROCESSING": [ + "RECALIBRATE loess on assigned fragments and MS1", + "REANALYZE Peaks with additional N2/O included", + "WHOLE RMassBank 2.3.1" + ], + "PK$SPLASH": [ + "splash10-03di-0900000000-154761829b10b18c5700" + ], + "PK$ANNOTATION": [ + "m/z tentative_formula formula_count mass error(ppm)" + ], + "PK$NUM_PEAK": [ + "6" + ], + "PK$PEAK": [ + "m/z int. rel.int." + ] + }, + "limitations": [ + "Source Q Exactive Plus differs from target Exploris120. Fixed MS2 spectrum transfer requires explicit host acceptance.", + "35000 source resolving power is not a selectable Exploris120 resolving-power setting; resampling does not create original resolution.", + "Polarity/adduct and reported nominal NCE are retained, but record35 versus paper stepped20/35/50 remains unresolved; even nominally matching NCE requires explicit source-condition transfer acceptance.", + "Source intensity is not concentration calibration, detector count, current or FT transient.", + "Precursor formula and mass reference are not a certified calibrant assignment; current mass-scale and response require explicit model observations.", + "All MS1 isotope probabilities are theoretical natural-isotope references; no actual ESI response or solvent-specific adduct equilibrium is claimed.", + "A single-peak MS2 record is a valid reference but does not establish a rich structural fragmentation pattern or unique molecular structure." + ] + }, + "sm810601": { + "substance_id": "sm810601", + "accession": "MSBNK-CASMI_2016-SM810601", + "name_en": "3-Acetylphenanthrene", + "names": [ + "3-Acetylphenanthrene", + "1-phenanthren-3-ylethanone" + ], + "formula": "C16H12O", + "element_counts": { + "C": 16, + "H": 12, + "O": 1 + }, + "inchikey": "JKVNPRNAHRHQDD-UHFFFAOYSA-N", + "inchi": "InChI=1S/C16H12O/c1-11(17)14-9-8-13-7-6-12-4-2-3-5-15(12)16(13)10-14/h2-10H,1H3", + "smiles": "CC(=O)C1=CC=C2C=CC3=CC=CC=C3C2=C1", + "cas": "2039-76-1", + "pubchem_cid": "CID:74867", + "molar_mass_kg_mol": 0.22026646832075158, + "molar_mass_evidence": "derived approximate average from NIST representative isotope composition, not current specimen isotopic mass", + "source_neutral_exact_mass_u": 220.08882, + "neutral_exact_mass_u": 220.08881500633, + "neutral_exact_mass_evidence": "derived from most abundant NIST isotope of each element, source rounded CH$EXACT_MASS retained separately", + "precursor_mz": 221.0961, + "precursor_mz_si_kg_c": 2.2914996027575524e-06, + 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Electron/proton binding-energy conventions are molecular mass approximations, not measured MS1 or isotope response.", + "physical_scope": "Derived isotope-composition probabilities, not response/ionization efficiency; instrument-resolved profile is synthetic." + }, + "ms2": { + "mass_to_charge_relative": [ + 88.0757, + 178.078, + 179.0855, + 221.0961 + ], + "mass_to_charge_si_kg_c": [ + 9.128403059239549e-07, + 1.8456484137886621e-06, + 1.8560904154783267e-06, + 2.2914996027575524e-06 + ], + "raw_intensity": [ + 3111.7, + 4647.1, + 184419.3, + 2305002.8 + ], + "raw_intensity_unit": "unspecified instrument intensity, not counts/A/C", + "published_relative_intensity": [ + 1, + 2, + 79, + 999 + ], + "relative_intensity": [ + 0.0013499766681411406, + 0.0020160929956354067, + 0.08000827591185573, + 1.0 + ], + "normalization": "all original raw-intensity values divided by their original maximum; full spectrum retained, no mass-domain renormalization", + "relative_intensity_unit": "1", + "evidence": "measured_literature", + "source": "massbank_sm810601", + "annotations_raw": [ + { + "line": 45, + "raw": " 88.0757 C4H10NO+ 1 88.0757 -0.12" + }, + { + "line": 46, + "raw": " 178.078 C14H10+ 1 178.0777 1.54" + }, + { + "line": 47, + "raw": " 179.0855 C14H11+ 1 179.0855 -0.06" + }, + { + "line": 48, + "raw": " 221.0961 C16H13O+ 1 221.0961 0.04" + } + ], + "source_peak_count": 4, + "original_acquisition_type": "processed centroid peak table, loess recalibrated by RMassBank; not unprocessed detector electronics" + }, + "range_40_3000": { + "original_indices": [ + 0, + 1, + 2, + 3 + ], + "retained_raw_intensity_fraction": 1.0, + "meaning": "Fraction of sums of reported intensities, not analyte yield/ion count/charge/mass" + }, + "source": "massbank_sm810601", + "evidence": "measured_literature", + "source_field_lines": { + "ACCESSION": [ + 1 + ], + "RECORD_TITLE": [ + 2 + ], + "DATE": [ + 3 + ], + "AUTHORS": [ + 4 + ], + "LICENSE": [ + 5 + ], + "COPYRIGHT": [ + 6 + ], + "PUBLICATION": [ + 7 + ], + "COMMENT": [ + 8, + 9 + ], + "CH$NAME": [ + 10, + 11 + ], + "CH$COMPOUND_CLASS": [ + 12 + ], + "CH$FORMULA": [ + 13 + ], + "CH$EXACT_MASS": [ + 14 + ], + "CH$SMILES": [ + 15 + ], + "CH$IUPAC": [ + 16 + ], + "CH$LINK": [ + 17, + 18, + 19, + 20, + 21, + 22 + ], + "AC$INSTRUMENT": [ + 23 + ], + "AC$INSTRUMENT_TYPE": [ + 24 + ], + "AC$MASS_SPECTROMETRY": [ + 25, + 26, + 27, + 28, + 29, + 30 + ], + "AC$CHROMATOGRAPHY": [ + 31, + 32, + 33, + 34, + 35, + 36 + ], + "MS$FOCUSED_ION": [ + 37, + 38, + 39 + ], + "MS$DATA_PROCESSING": [ + 40, + 41, + 42 + ], + "PK$SPLASH": [ + 43 + ], + "PK$ANNOTATION": [ + 44 + ], + "PK$NUM_PEAK": [ + 49 + ], + "PK$PEAK": [ + 50 + ] + }, + "source_headers": { + "ACCESSION": [ + "MSBNK-CASMI_2016-SM810601" + ], + "RECORD_TITLE": [ + "3-Acetylphenanthrene; LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M+H]+" + ], + "DATE": [ + "2016.12.12" + ], + "AUTHORS": [ + "Krauss M, Schymanski EL, Weidauer C, Schupke H, UFZ and Eawag" + ], + "LICENSE": [ + "CC BY" + ], + "COPYRIGHT": [ + "Copyright (C) 2016 UFZ/Eawag" + ], + "PUBLICATION": [ + "Schymanski, E. L.; Ruttkies, C.; Krauss, M.; Brouard, C.; Kind, T.; Dührkop, K.; Allen, F.; Vaniya, A.; Verdegem, D.; Böcker, S.; et al. Critical Assessment of Small Molecule Identification 2016: Automated Methods. Journal of Cheminformatics 2017, 9 (1). DOI:10.1186/s13321-017-0207-1" + ], + "COMMENT": [ + "CONFIDENCE standard compound", + "INTERNAL_ID 8106" + ], + "CH$NAME": [ + "3-Acetylphenanthrene", + "1-phenanthren-3-ylethanone" + ], + "CH$COMPOUND_CLASS": [ + "N/A; Environmental Standard" + ], + "CH$FORMULA": [ + "C16H12O" + ], + "CH$EXACT_MASS": [ + "220.08882" + ], + "CH$SMILES": [ + "CC(=O)C1=CC=C2C=CC3=CC=CC=C3C2=C1" + ], + "CH$IUPAC": [ + "InChI=1S/C16H12O/c1-11(17)14-9-8-13-7-6-12-4-2-3-5-15(12)16(13)10-14/h2-10H,1H3" + ], + "CH$LINK": [ + "CAS 2039-76-1", + "PUBCHEM CID:74867", + "INCHIKEY JKVNPRNAHRHQDD-UHFFFAOYSA-N", + "CHEMSPIDER 67431", + "COMPTOX DTXSID9049243", + "ChemOnt CHEMONTID:0000025; Organic compounds; Benzenoids; Phenanthrenes and derivatives" + ], + "AC$INSTRUMENT": [ + "Q Exactive Plus Orbitrap Thermo Scientific" + ], + "AC$INSTRUMENT_TYPE": [ + "LC-ESI-QFT" + ], + "AC$MASS_SPECTROMETRY": [ + "MS_TYPE MS2", + "ION_MODE POSITIVE", + "IONIZATION ESI", + "FRAGMENTATION_MODE HCD", + "COLLISION_ENERGY 35 (nominal)", + "RESOLUTION 35000" + ], + "AC$CHROMATOGRAPHY": [ + "COLUMN_NAME Kinetex C18 EVO 2.6 um, 2.1x50 mm, precolumn 2.1x5 mm, Phenomenex", + "FLOW_GRADIENT 95/5 at 0 min, 95/5 at 1 min, 0/100 at 13 min, 0/100 at 24 min", + "FLOW_RATE 300 uL/min", + "RETENTION_TIME 12.265 min", + "SOLVENT A water with 0.1% formic acid", + "SOLVENT B methanol with 0.1% formic acid" + ], + "MS$FOCUSED_ION": [ + "BASE_PEAK 164.9843", + "PRECURSOR_M/Z 221.0961", + "PRECURSOR_TYPE [M+H]+" + ], + "MS$DATA_PROCESSING": [ + "RECALIBRATE loess on assigned fragments and MS1", + "REANALYZE Peaks with additional N2/O included", + "WHOLE RMassBank 2.3.1" + ], + "PK$SPLASH": [ + "splash10-00di-0090000000-8902848299652259b765" + ], + "PK$ANNOTATION": [ + "m/z tentative_formula formula_count mass error(ppm)" + ], + "PK$NUM_PEAK": [ + "4" + ], + "PK$PEAK": [ + "m/z int. rel.int." + ] + }, + "limitations": [ + "Source Q Exactive Plus differs from target Exploris120. Fixed MS2 spectrum transfer requires explicit host acceptance.", + "35000 source resolving power is not a selectable Exploris120 resolving-power setting; resampling does not create original resolution.", + "Polarity/adduct and reported nominal NCE are retained, but record35 versus paper stepped20/35/50 remains unresolved; even nominally matching NCE requires explicit source-condition transfer acceptance.", + "Source intensity is not concentration calibration, detector count, current or FT transient.", + "Precursor formula and mass reference are not a certified calibrant assignment; current mass-scale and response require explicit model observations.", + "All MS1 isotope probabilities are theoretical natural-isotope references; no actual ESI response or solvent-specific adduct equilibrium is claimed.", + "A single-peak MS2 record is a valid reference but does not establish a rich structural fragmentation pattern or unique molecular structure." + ] + }, + "sm810703": { + "substance_id": "sm810703", + "accession": "MSBNK-CASMI_2016-SM810703", + "name_en": "3-Amino-1,2,4-triazole", + "names": [ + "3-Amino-1,2,4-triazole", + "1H-1,2,4-triazol-5-amine" + ], + "formula": "C2H4N4", + "element_counts": { + "C": 2, + "H": 4, + "N": 4 + }, + "inchikey": "KLSJWNVTNUYHDU-UHFFFAOYSA-N", + "inchi": "InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)", + "smiles": "NC1=NNC=N1", + "cas": "61-82-5", + "pubchem_cid": "CID:1639", + "molar_mass_kg_mol": 0.08408004765547679, + "molar_mass_evidence": "derived approximate average from NIST representative isotope composition, not current specimen isotopic mass", + "source_neutral_exact_mass_u": 84.0436, + "neutral_exact_mass_u": 84.04359614664, + "neutral_exact_mass_evidence": "derived from most abundant NIST isotope of each element, source rounded CH$EXACT_MASS retained separately", + "precursor_mz": 85.0509, + "precursor_mz_si_kg_c": 8.814904630347271e-07, + "precursor_mz_evidence": "reported precursor selection/reference setting, not independently available MS1 centroid data", + "derived_precursor_mz": 85.0508726132189, + "precursor_charge": 1, + "precursor_type": "[M+H]+", + "polarity": "positive", + "ionization": "ESI", + "fragmentation_mode": "HCD", + "instrument_type": "LC-ESI-QFT", + "instrument": "Q Exactive Plus Orbitrap Thermo Scientific", + "collision_energy": { + "value": 35.0, + "unit": "NCE", + "fraction": 0.35, + "raw": "35 (nominal)", + "unit_evidence": "RECORD_TITLE explicitly names NCE; no conversion to eV or V", + "paper_stepped_nce": [ + 20.0, + 35.0, + 50.0 + ], + "single_energy_verified": false, + "conflict": "Record labels35 NCE but cited paper Methods reports stepped20/35/50; cannot infer this is a pure35 spectrum." + }, + "source_resolution_200": 35000.0, + "source_resolution_evidence": "35000 nominal MS/MS resolving power at m/z200 documented in CASMI publication methods", + "conditions": { + "chromatography_raw": [ + "COLUMN_NAME Kinetex C18 EVO 2.6 um, 2.1x50 mm, precolumn 2.1x5 mm, Phenomenex", + "FLOW_GRADIENT 95/5 at 0 min, 95/5 at 1 min, 0/100 at 13 min, 0/100 at 24 min", + "FLOW_RATE 300 uL/min", + "RETENTION_TIME 0.401 min", + "SOLVENT A water with 0.1% formic acid", + "SOLVENT B methanol with 0.1% formic acid" + ], + "spectrometry_raw": [ + "MS_TYPE MS2", + "ION_MODE POSITIVE", + "IONIZATION ESI", + "FRAGMENTATION_MODE HCD", + "COLLISION_ENERGY 35 (nominal)", + "RESOLUTION 35000" + ], + "data_processing_raw": [ + "RECALIBRATE loess on assigned fragments and MS1", + "REANALYZE Peaks with additional N2/O included", + "WHOLE RMassBank 2.3.1" + ], + "confidence_raw": [ + "CONFIDENCE standard compound", + "INTERNAL_ID 8107" + ], + "sample_concentration_kg_m3": null, + "temperature_k": null, + "electronic_profile_available": false, + "measured_on_exploris120": false + }, + "record_kind": "measured_processed_ms2_reference", + "physical_input_eligible": true, + "mass_reference_eligible": true, + "concentration_calibration_eligible": false, + "ms1_measured": null, + "single_peak_only": false, + "derived_ms1": { + "mass_to_charge_relative": [ + 85.0508726105789, + 86.0479075055789, + 86.0542274455789, + 86.0571493565789, + 87.0449424005789, + 87.0512623405789, + 87.0541842515789, + 87.0575822805789, + 87.0605041915789, + 87.0634261025789, + 88.0419772955789, + 88.0482972355789, + 88.0512191465789, + 88.0546171755789, + 88.0575390865789, + 88.0604609975789, + 88.0638590265789, + 88.0667809375789, + 89.0390121905789, + 89.0453321305789, + 89.0516520705789, + 89.0545739815789, + 89.0608939215789 + ], + "mass_to_charge_si_kg_c": [ + 8.814901791633808e-07, + 8.918237176827302e-07, + 8.918892192451702e-07, + 8.919195027187177e-07, + 9.021572562020795e-07, + 9.022227577645196e-07, + 9.022530412380671e-07, + 9.022882593269599e-07, + 9.023185428005074e-07, + 9.023488262740549e-07, + 9.124907947214288e-07, + 9.12556296283869e-07, + 9.125865797574165e-07, + 9.126217978463093e-07, + 9.126520813198568e-07, + 9.126823647934043e-07, + 9.127175828822969e-07, + 9.127478663558445e-07, + 9.228243332407781e-07, + 9.228898348032184e-07, + 9.229553363656587e-07, + 9.229856198392062e-07, + 9.230511214016463e-07 + ], + "probability": [ + 0.9640984110421306, + 0.014088555205722247, + 0.02085485292257313, + 0.0004435362757510914, + 7.720453593404339e-05, + 0.0003047559702845003, + 6.4814807649202e-06, + 0.00011278021139772184, + 9.594335692988332e-06, + 7.65188072298947e-08, + 1.8803411805633704e-07, + 1.6700465672581915e-06, + 3.551817111933868e-08, + 1.648078885092567e-06, + 1.4020386977589436e-07, + 1.1181840231113922e-09, + 5.188486400231231e-08, + 1.6552132565649918e-09, + 1.7173616707943587e-10, + 4.067451861321756e-09, + 9.031384953837383e-09, + 7.683097765630729e-10, + 7.582034805428432e-10 + ], + "relative_intensity": [ + 1.0, + 0.014613192018948971, + 0.021631456585464472, + 0.00046005290608419966, + 8.007951786850274e-05, + 0.0003161046287329506, + 6.722841455483909e-06, + 0.00011697997850220853, + 9.951614464977128e-06, + 7.936825364869403e-08, + 1.9503622856621435e-07, + 1.7322366141574435e-06, + 3.684081491322628e-08, + 1.7094508882252964e-06, + 1.4542485307526093e-07, + 1.1598235307770134e-09, + 5.381697906360824e-08, + 1.7168509330658568e-09, + 1.7813136616810697e-10, + 4.218917710822791e-09, + 9.367700278724675e-09, + 7.969204883685864e-10, + 7.86437848936264e-10 + ], + "retained_probability": 0.9999999998360173, + "excluded_probability": 1.6398271629469718e-10, + "evidence": "derived", + "source": [ + "nist_isotopes", + "codata2022_u", + "codata2022_e", + "codata2022_me", + "codata2022_mp" + ], + "unit": "1", + "method": "Independent natural elemental abundances normalized per element; atomic masses each rounded once to 1e-9 u and exactly summed as integer nano-u during atom convolution; prune probability<1e-10 and cap4096 states after each atom. No renormalization of retained probabilities. Positive neutral molecule adds fixed CODATA proton; negative molecule loses one natural H atom and gains CODATA electron. Electron/proton binding-energy conventions are molecular mass approximations, not measured MS1 or isotope response.", + "physical_scope": "Derived isotope-composition probabilities, not response/ionization efficiency; instrument-resolved profile is synthetic." + }, + "ms2": { + "mass_to_charge_relative": [ + 57.0449, + 58.0401, + 85.0508 + ], + "mass_to_charge_si_kg_c": [ + 5.912287267362215e-07, + 6.015432479089799e-07, + 8.814894266077602e-07 + ], + "raw_intensity": [ + 5695655.5, + 1949813.6, + 176740944.0 + ], + "raw_intensity_unit": "unspecified instrument intensity, not counts/A/C", + "published_relative_intensity": [ + 32, + 11, + 999 + ], + "relative_intensity": [ + 0.03222601040311293, + 0.011032042467760047, + 1.0 + ], + "normalization": "all original raw-intensity values divided by their original maximum; full spectrum retained, no mass-domain renormalization", + "relative_intensity_unit": "1", + "evidence": "measured_literature", + "source": "massbank_sm810703", + "annotations_raw": [ + { + "line": 47, + "raw": " 57.0449 C2H5N2+ 1 57.0447 2.65" + }, + { + "line": 48, + "raw": " 58.0401 CH4N3+ 1 58.04 2.4" + }, + { + "line": 49, + "raw": " 85.0508 C2H5N4+ 1 85.0509 -0.64" + } + ], + "source_peak_count": 3, + "original_acquisition_type": "processed centroid peak table, loess recalibrated by RMassBank; not unprocessed detector electronics" + }, + "range_40_3000": { + "original_indices": [ + 0, + 1, + 2 + ], + "retained_raw_intensity_fraction": 1.0, + "meaning": "Fraction of sums of reported intensities, not analyte yield/ion count/charge/mass" + }, + "source": "massbank_sm810703", + "evidence": "measured_literature", + "source_field_lines": { + "ACCESSION": [ + 1 + ], + "RECORD_TITLE": [ + 2 + ], + "DATE": [ + 3 + ], + "AUTHORS": [ + 4 + ], + "LICENSE": [ + 5 + ], + "COPYRIGHT": [ + 6 + ], + "PUBLICATION": [ + 7 + ], + "COMMENT": [ + 8, + 9 + ], + "CH$NAME": [ + 10, + 11 + ], + "CH$COMPOUND_CLASS": [ + 12 + ], + "CH$FORMULA": [ + 13 + ], + "CH$EXACT_MASS": [ + 14 + ], + "CH$SMILES": [ + 15 + ], + "CH$IUPAC": [ + 16 + ], + "CH$LINK": [ + 17, + 18, + 19, + 20, + 21, + 22, + 23, + 24 + ], + "AC$INSTRUMENT": [ + 25 + ], + "AC$INSTRUMENT_TYPE": [ + 26 + ], + "AC$MASS_SPECTROMETRY": [ + 27, + 28, + 29, + 30, + 31, + 32 + ], + "AC$CHROMATOGRAPHY": [ + 33, + 34, + 35, + 36, + 37, + 38 + ], + "MS$FOCUSED_ION": [ + 39, + 40, + 41 + ], + "MS$DATA_PROCESSING": [ + 42, + 43, + 44 + ], + "PK$SPLASH": [ + 45 + ], + "PK$ANNOTATION": [ + 46 + ], + "PK$NUM_PEAK": [ + 50 + ], + "PK$PEAK": [ + 51 + ] + }, + "source_headers": { + "ACCESSION": [ + "MSBNK-CASMI_2016-SM810703" + ], + "RECORD_TITLE": [ + "3-Amino-1,2,4-triazole; LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M+H]+" + ], + "DATE": [ + "2016.12.12" + ], + "AUTHORS": [ + "Krauss M, Schymanski EL, Weidauer C, Schupke H, UFZ and Eawag" + ], + "LICENSE": [ + "CC BY" + ], + "COPYRIGHT": [ + "Copyright (C) 2016 UFZ/Eawag" + ], + "PUBLICATION": [ + "Schymanski, E. L.; Ruttkies, C.; Krauss, M.; Brouard, C.; Kind, T.; Dührkop, K.; Allen, F.; Vaniya, A.; Verdegem, D.; Böcker, S.; et al. Critical Assessment of Small Molecule Identification 2016: Automated Methods. Journal of Cheminformatics 2017, 9 (1). DOI:10.1186/s13321-017-0207-1" + ], + "COMMENT": [ + "CONFIDENCE standard compound", + "INTERNAL_ID 8107" + ], + "CH$NAME": [ + "3-Amino-1,2,4-triazole", + "1H-1,2,4-triazol-5-amine" + ], + "CH$COMPOUND_CLASS": [ + "N/A; Environmental Standard" + ], + "CH$FORMULA": [ + "C2H4N4" + ], + "CH$EXACT_MASS": [ + "84.04360" + ], + "CH$SMILES": [ + "NC1=NNC=N1" + ], + "CH$IUPAC": [ + "InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)" + ], + "CH$LINK": [ + "CAS 61-82-5", + "CHEBI CHEBI:40036", + "KEGG C11261", + "PUBCHEM CID:1639", + "INCHIKEY KLSJWNVTNUYHDU-UHFFFAOYSA-N", + "CHEMSPIDER 1577", + "COMPTOX DTXSID0020076", + "ChemOnt CHEMONTID:0000099; Organic compounds; Organoheterocyclic compounds; Azoles; Triazoles" + ], + "AC$INSTRUMENT": [ + "Q Exactive Plus Orbitrap Thermo Scientific" + ], + "AC$INSTRUMENT_TYPE": [ + "LC-ESI-QFT" + ], + "AC$MASS_SPECTROMETRY": [ + "MS_TYPE MS2", + "ION_MODE POSITIVE", + "IONIZATION ESI", + "FRAGMENTATION_MODE HCD", + "COLLISION_ENERGY 35 (nominal)", + "RESOLUTION 35000" + ], + "AC$CHROMATOGRAPHY": [ + "COLUMN_NAME Kinetex C18 EVO 2.6 um, 2.1x50 mm, precolumn 2.1x5 mm, Phenomenex", + "FLOW_GRADIENT 95/5 at 0 min, 95/5 at 1 min, 0/100 at 13 min, 0/100 at 24 min", + "FLOW_RATE 300 uL/min", + "RETENTION_TIME 0.401 min", + "SOLVENT A water with 0.1% formic acid", + "SOLVENT B methanol with 0.1% formic acid" + ], + "MS$FOCUSED_ION": [ + "BASE_PEAK 171.1853", + "PRECURSOR_M/Z 85.0509", + "PRECURSOR_TYPE [M+H]+" + ], + "MS$DATA_PROCESSING": [ + "RECALIBRATE loess on assigned fragments and MS1", + "REANALYZE Peaks with additional N2/O included", + "WHOLE RMassBank 2.3.1" + ], + "PK$SPLASH": [ + "splash10-000i-9000000000-e37b362ad4d2717e1b89" + ], + "PK$ANNOTATION": [ + "m/z tentative_formula formula_count mass error(ppm)" + ], + "PK$NUM_PEAK": [ + "3" + ], + "PK$PEAK": [ + "m/z int. rel.int." + ] + }, + "limitations": [ + "Source Q Exactive Plus differs from target Exploris120. Fixed MS2 spectrum transfer requires explicit host acceptance.", + "35000 source resolving power is not a selectable Exploris120 resolving-power setting; resampling does not create original resolution.", + "Polarity/adduct and reported nominal NCE are retained, but record35 versus paper stepped20/35/50 remains unresolved; even nominally matching NCE requires explicit source-condition transfer acceptance.", + "Source intensity is not concentration calibration, detector count, current or FT transient.", + "Precursor formula and mass reference are not a certified calibrant assignment; current mass-scale and response require explicit model observations.", + "All MS1 isotope probabilities are theoretical natural-isotope references; no actual ESI response or solvent-specific adduct equilibrium is claimed.", + "A single-peak MS2 record is a valid reference but does not establish a rich structural fragmentation pattern or unique molecular structure." + ] + }, + "sm810801": { + "substance_id": 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L.; Ruttkies, C.; Krauss, M.; Brouard, C.; Kind, T.; Dührkop, K.; Allen, F.; Vaniya, A.; Verdegem, D.; Böcker, S.; et al. Critical Assessment of Small Molecule Identification 2016: Automated Methods. Journal of Cheminformatics 2017, 9 (1). DOI:10.1186/s13321-017-0207-1" + ], + "COMMENT": [ + "CONFIDENCE standard compound", + "INTERNAL_ID 8108" + ], + "CH$NAME": [ + "3-Bromo-N,N-dimethylaniline" + ], + "CH$COMPOUND_CLASS": [ + "N/A; Environmental Standard" + ], + "CH$FORMULA": [ + "C8H10BrN" + ], + "CH$EXACT_MASS": [ + "198.99966" + ], + "CH$SMILES": [ + "CN(C)C1=CC(Br)=CC=C1" + ], + "CH$IUPAC": [ + "InChI=1S/C8H10BrN/c1-10(2)8-5-3-4-7(9)6-8/h3-6H,1-2H3" + ], + "CH$LINK": [ + "CAS 66314-77-0", + "PUBCHEM CID:140102", + "INCHIKEY USEXQPWLCGBYNT-UHFFFAOYSA-N", + "CHEMSPIDER 21169887", + "COMPTOX DTXSID70167856", + "ChemOnt CHEMONTID:0002449; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines" + ], + "AC$INSTRUMENT": [ + "Q Exactive Plus Orbitrap Thermo Scientific" + ], + "AC$INSTRUMENT_TYPE": [ + "LC-ESI-QFT" + ], + "AC$MASS_SPECTROMETRY": [ + "MS_TYPE MS2", + "ION_MODE POSITIVE", + "IONIZATION ESI", + "FRAGMENTATION_MODE HCD", + "COLLISION_ENERGY 35 (nominal)", + "RESOLUTION 35000" + ], + "AC$CHROMATOGRAPHY": [ + "COLUMN_NAME Kinetex C18 EVO 2.6 um, 2.1x50 mm, precolumn 2.1x5 mm, Phenomenex", + "FLOW_GRADIENT 95/5 at 0 min, 95/5 at 1 min, 0/100 at 13 min, 0/100 at 24 min", + "FLOW_RATE 300 uL/min", + "RETENTION_TIME 10.583 min", + "SOLVENT A water with 0.1% formic acid", + "SOLVENT B methanol with 0.1% formic acid" + ], + "MS$FOCUSED_ION": [ + "BASE_PEAK 198.1022", + "PRECURSOR_M/Z 200.0069", + "PRECURSOR_TYPE [M+H]+" + ], + "MS$DATA_PROCESSING": [ + "RECALIBRATE loess on assigned fragments and MS1", + "REANALYZE Peaks with additional N2/O included", + "WHOLE RMassBank 2.3.1" + ], + "PK$SPLASH": [ + "splash10-0ue9-0590000000-47b92a283c7b38ad9c7b" + ], + "PK$ANNOTATION": [ + "m/z tentative_formula formula_count mass error(ppm)" + ], + "PK$NUM_PEAK": [ + "11" + ], + "PK$PEAK": [ + "m/z int. rel.int." + ] + }, + "limitations": [ + "Source Q Exactive Plus differs from target Exploris120. Fixed MS2 spectrum transfer requires explicit host acceptance.", + "35000 source resolving power is not a selectable Exploris120 resolving-power setting; resampling does not create original resolution.", + "Polarity/adduct and reported nominal NCE are retained, but record35 versus paper stepped20/35/50 remains unresolved; even nominally matching NCE requires explicit source-condition transfer acceptance.", + "Source intensity is not concentration calibration, detector count, current or FT transient.", + "Precursor formula and mass reference are not a certified calibrant assignment; current mass-scale and response require explicit model observations.", + "All MS1 isotope probabilities are theoretical natural-isotope references; no actual ESI response or solvent-specific adduct equilibrium is claimed.", + "A single-peak MS2 record is a valid reference but does not establish a rich structural fragmentation pattern or unique molecular structure." + ] + }, + "sm811101": { + "substance_id": "sm811101", + "accession": "MSBNK-CASMI_2016-SM811101", + "name_en": "4,4`-Thiodianiline", + "names": [ + "4,4`-Thiodianiline", + "4-(4-aminophenyl)sulfanylaniline" + ], + "formula": "C12H12N2S", + "element_counts": { + "C": 12, + "H": 12, + "N": 2, + "S": 1 + }, + "inchikey": "ICNFHJVPAJKPHW-UHFFFAOYSA-N", + "inchi": "InChI=1S/C12H12N2S/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h1-8H,13-14H2", + "smiles": "C1=CC(=CC=C1N)SC2=CC=C(C=C2)N", + "cas": "139-65-1", + "pubchem_cid": "CID:8765", + "molar_mass_kg_mol": 0.21630231363851096, + "molar_mass_evidence": "derived approximate average from NIST representative isotope composition, not current specimen isotopic mass", + "source_neutral_exact_mass_u": 216.07212, + "neutral_exact_mass_u": 216.07211957002, + "neutral_exact_mass_evidence": "derived from most abundant NIST isotope of each element, source rounded CH$EXACT_MASS retained separately", + "precursor_mz": 217.0794, + "precursor_mz_si_kg_c": 2.2498694407854676e-06, + 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LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M+H]+" + ], + "DATE": [ + "2016.12.12" + ], + "AUTHORS": [ + "Krauss M, Schymanski EL, Weidauer C, Schupke H, UFZ and Eawag" + ], + "LICENSE": [ + "CC BY" + ], + "COPYRIGHT": [ + "Copyright (C) 2016 UFZ/Eawag" + ], + "PUBLICATION": [ + "Schymanski, E. L.; Ruttkies, C.; Krauss, M.; Brouard, C.; Kind, T.; Dührkop, K.; Allen, F.; Vaniya, A.; Verdegem, D.; Böcker, S.; et al. Critical Assessment of Small Molecule Identification 2016: Automated Methods. Journal of Cheminformatics 2017, 9 (1). DOI:10.1186/s13321-017-0207-1" + ], + "COMMENT": [ + "CONFIDENCE standard compound", + "INTERNAL_ID 8111" + ], + "CH$NAME": [ + "4,4`-Thiodianiline", + "4-(4-aminophenyl)sulfanylaniline" + ], + "CH$COMPOUND_CLASS": [ + "N/A; Environmental Standard" + ], + "CH$FORMULA": [ + "C12H12N2S" + ], + "CH$EXACT_MASS": [ + "216.07212" + ], + "CH$SMILES": [ + "C1=CC(=CC=C1N)SC2=CC=C(C=C2)N" + ], + "CH$IUPAC": [ + "InChI=1S/C12H12N2S/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h1-8H,13-14H2" + ], + "CH$LINK": [ + "CAS 139-65-1", + "CHEBI CHEBI:82374", + "KEGG C19303", + "PUBCHEM CID:8765", + "INCHIKEY ICNFHJVPAJKPHW-UHFFFAOYSA-N", + "CHEMSPIDER 8435", + "COMPTOX DTXSID9021344", + "ChemOnt CHEMONTID:0004631; Organic compounds; Organosulfur compounds; Thioethers; Aryl thioethers" + ], + "AC$INSTRUMENT": [ + "Q Exactive Plus Orbitrap Thermo Scientific" + ], + "AC$INSTRUMENT_TYPE": [ + "LC-ESI-QFT" + ], + "AC$MASS_SPECTROMETRY": [ + "MS_TYPE MS2", + "ION_MODE POSITIVE", + "IONIZATION ESI", + "FRAGMENTATION_MODE HCD", + "COLLISION_ENERGY 35 (nominal)", + "RESOLUTION 35000" + ], + "AC$CHROMATOGRAPHY": [ + "COLUMN_NAME Kinetex C18 EVO 2.6 um, 2.1x50 mm, precolumn 2.1x5 mm, Phenomenex", + "FLOW_GRADIENT 95/5 at 0 min, 95/5 at 1 min, 0/100 at 13 min, 0/100 at 24 min", + "FLOW_RATE 300 uL/min", + "RETENTION_TIME 2.623 min", + "SOLVENT A water with 0.1% formic acid", + "SOLVENT B methanol with 0.1% formic acid" + ], + "MS$FOCUSED_ION": [ + "BASE_PEAK 217.079", + "PRECURSOR_M/Z 217.0794", + "PRECURSOR_TYPE [M+H]+" + ], + "MS$DATA_PROCESSING": [ + "RECALIBRATE loess on assigned fragments and MS1", + "REANALYZE Peaks with additional N2/O included", + "WHOLE RMassBank 2.3.1" + ], + "PK$SPLASH": [ + "splash10-014i-0590000000-5072ba2a0959d316317b" + ], + "PK$ANNOTATION": [ + "m/z tentative_formula formula_count mass error(ppm)" + ], + "PK$NUM_PEAK": [ + "26" + ], + "PK$PEAK": [ + "m/z int. rel.int." + ] + }, + "limitations": [ + "Source Q Exactive Plus differs from target Exploris120. Fixed MS2 spectrum transfer requires explicit host acceptance.", + "35000 source resolving power is not a selectable Exploris120 resolving-power setting; resampling does not create original resolution.", + "Polarity/adduct and reported nominal NCE are retained, but record35 versus paper stepped20/35/50 remains unresolved; even nominally matching NCE requires explicit source-condition transfer acceptance.", + "Source intensity is not concentration calibration, detector count, current or FT transient.", + "Precursor formula and mass reference are not a certified calibrant assignment; current mass-scale and response require explicit model observations.", + "All MS1 isotope probabilities are theoretical natural-isotope references; no actual ESI response or solvent-specific adduct equilibrium is claimed.", + "A single-peak MS2 record is a valid reference but does not establish a rich structural fragmentation pattern or unique molecular structure." + ] + }, + "sm811302": { + "substance_id": "sm811302", + "accession": "MSBNK-CASMI_2016-SM811302", + "name_en": "4-Aminoazobenzene", + "names": [ + "4-Aminoazobenzene", + "4-phenyldiazenylaniline" + ], + "formula": "C12H11N3", + "element_counts": { + "C": 12, + "H": 11, + "N": 3 + }, + "inchikey": "QPQKUYVSJWQSDY-UHFFFAOYSA-N", + "inchi": "InChI=1S/C12H11N3/c13-10-6-8-12(9-7-10)15-14-11-4-2-1-3-5-11/h1-9H,13H2", + "smiles": "C1=CC=C(C=C1)N=NC2=CC=C(C=C2)N", + "cas": "60-09-3", + "pubchem_cid": "CID:6051", + "molar_mass_kg_mol": 0.19723628868977391, + "molar_mass_evidence": "derived approximate average from NIST representative isotope composition, not current specimen isotopic mass", + "source_neutral_exact_mass_u": 197.0953, + "neutral_exact_mass_u": 197.09529736782, + "neutral_exact_mass_evidence": "derived from most abundant NIST isotope of each element, source rounded CH$EXACT_MASS retained separately", + "precursor_mz": 198.1026, + "precursor_mz_si_kg_c": 2.0531887681656902e-06, + "precursor_mz_evidence": "reported precursor selection/reference setting, not independently available MS1 centroid data", + "derived_precursor_mz": 198.1025738343989, + "precursor_charge": 1, + "precursor_type": "[M+H]+", + "polarity": "positive", + "ionization": "ESI", + "fragmentation_mode": "HCD", + "instrument_type": "LC-ESI-QFT", + "instrument": "Q Exactive Plus Orbitrap Thermo Scientific", + "collision_energy": { + "value": 35.0, + "unit": "NCE", + "fraction": 0.35, + "raw": "35 (nominal)", + "unit_evidence": "RECORD_TITLE explicitly names NCE; no conversion to eV or V", + "paper_stepped_nce": [ + 20.0, + 35.0, + 50.0 + ], + "single_energy_verified": false, + "conflict": "Record labels35 NCE but cited paper Methods reports stepped20/35/50; cannot infer this is a pure35 spectrum." + }, + "source_resolution_200": 35000.0, + "source_resolution_evidence": "35000 nominal MS/MS resolving power at m/z200 documented in CASMI publication methods", + "conditions": { + "chromatography_raw": [ + "COLUMN_NAME Kinetex C18 EVO 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LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M+H]+" + ], + "DATE": [ + "2016.12.12" + ], + "AUTHORS": [ + "Krauss M, Schymanski EL, Weidauer C, Schupke H, UFZ and Eawag" + ], + "LICENSE": [ + "CC BY" + ], + "COPYRIGHT": [ + "Copyright (C) 2016 UFZ/Eawag" + ], + "PUBLICATION": [ + "Schymanski, E. L.; Ruttkies, C.; Krauss, M.; Brouard, C.; Kind, T.; Dührkop, K.; Allen, F.; Vaniya, A.; Verdegem, D.; Böcker, S.; et al. Critical Assessment of Small Molecule Identification 2016: Automated Methods. Journal of Cheminformatics 2017, 9 (1). DOI:10.1186/s13321-017-0207-1" + ], + "COMMENT": [ + "CONFIDENCE standard compound", + "INTERNAL_ID 8113" + ], + "CH$NAME": [ + "4-Aminoazobenzene", + "4-phenyldiazenylaniline" + ], + "CH$COMPOUND_CLASS": [ + "N/A; Environmental Standard" + ], + "CH$FORMULA": [ + "C12H11N3" + ], + "CH$EXACT_MASS": [ + "197.09530" + ], + "CH$SMILES": [ + "C1=CC=C(C=C1)N=NC2=CC=C(C=C2)N" + ], + "CH$IUPAC": [ + "InChI=1S/C12H11N3/c13-10-6-8-12(9-7-10)15-14-11-4-2-1-3-5-11/h1-9H,13H2" + ], + "CH$LINK": [ + "CAS 60-09-3", + "CHEBI CHEBI:233869", + "PUBCHEM CID:6051", + "INCHIKEY QPQKUYVSJWQSDY-UHFFFAOYSA-N", + "CHEMSPIDER 10447135", + "ChemOnt CHEMONTID:0003370; Organic compounds; Organoheterocyclic compounds; Azobenzenes" + ], + "AC$INSTRUMENT": [ + "Q Exactive Plus Orbitrap Thermo Scientific" + ], + "AC$INSTRUMENT_TYPE": [ + "LC-ESI-QFT" + ], + "AC$MASS_SPECTROMETRY": [ + "MS_TYPE MS2", + "ION_MODE POSITIVE", + "IONIZATION ESI", + "FRAGMENTATION_MODE HCD", + "COLLISION_ENERGY 35 (nominal)", + "RESOLUTION 35000" + ], + "AC$CHROMATOGRAPHY": [ + "COLUMN_NAME Kinetex C18 EVO 2.6 um, 2.1x50 mm, precolumn 2.1x5 mm, Phenomenex", + "FLOW_GRADIENT 95/5 at 0 min, 95/5 at 1 min, 0/100 at 13 min, 0/100 at 24 min", + "FLOW_RATE 300 uL/min", + "RETENTION_TIME 10.583 min", + "SOLVENT A water with 0.1% formic acid", + "SOLVENT B methanol with 0.1% formic acid" + ], + "MS$FOCUSED_ION": [ + "BASE_PEAK 198.1022", + "PRECURSOR_M/Z 198.1026", + "PRECURSOR_TYPE [M+H]+" + ], + "MS$DATA_PROCESSING": [ + "RECALIBRATE loess on assigned fragments and MS1", + "REANALYZE Peaks with additional N2/O included", + "WHOLE RMassBank 2.3.1" + ], + "PK$SPLASH": [ + "splash10-0002-6900000000-30fbe963db06e159ffd4" + ], + "PK$ANNOTATION": [ + "m/z tentative_formula formula_count mass error(ppm)" + ], + "PK$NUM_PEAK": [ + "28" + ], + "PK$PEAK": [ + "m/z int. rel.int." + ] + }, + "limitations": [ + "Source Q Exactive Plus differs from target Exploris120. Fixed MS2 spectrum transfer requires explicit host acceptance.", + "35000 source resolving power is not a selectable Exploris120 resolving-power setting; resampling does not create original resolution.", + "Polarity/adduct and reported nominal NCE are retained, but record35 versus paper stepped20/35/50 remains unresolved; even nominally matching NCE requires explicit source-condition transfer acceptance.", + "Source intensity is not concentration calibration, detector count, current or FT transient.", + "Precursor formula and mass reference are not a certified calibrant assignment; current mass-scale and response require explicit model observations.", + "All MS1 isotope probabilities are theoretical natural-isotope references; no actual ESI response or solvent-specific adduct equilibrium is claimed.", + "A single-peak MS2 record is a valid reference but does not establish a rich structural fragmentation pattern or unique molecular structure." + ] + }, + "sm811402": { + "substance_id": "sm811402", + "accession": "MSBNK-CASMI_2016-SM811402", + "name_en": "4-Aminobenzamide", + "names": [ + "4-Aminobenzamide" + ], + "formula": "C7H8N2O", + "element_counts": { + "C": 7, + "H": 8, + "N": 2, + "O": 1 + }, + "inchikey": "QIKYZXDTTPVVAC-UHFFFAOYSA-N", + "inchi": "InChI=1S/C7H8N2O/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,8H2,(H2,9,10)", + "smiles": "C1=CC(=CC=C1C(=O)N)N", + "cas": "2835-68-9", + "pubchem_cid": "CID:76079", + "molar_mass_kg_mol": 0.13615148865680282, + "molar_mass_evidence": "derived approximate average from NIST representative isotope composition, not current specimen isotopic mass", + "source_neutral_exact_mass_u": 136.06366, + "neutral_exact_mass_u": 136.06366288627, + "neutral_exact_mass_evidence": "derived from most abundant NIST isotope of each element, source rounded CH$EXACT_MASS retained separately", + "precursor_mz": 137.0709, + "precursor_mz_si_kg_c": 1.4206397711204322e-06, + "precursor_mz_evidence": "reported precursor selection/reference setting, not independently available MS1 centroid data", + "derived_precursor_mz": 137.0709393528489, + "precursor_charge": 1, + "precursor_type": "[M+H]+", + "polarity": "positive", + "ionization": "ESI", + "fragmentation_mode": "HCD", + "instrument_type": "LC-ESI-QFT", + "instrument": "Q Exactive Plus Orbitrap Thermo Scientific", + "collision_energy": { + "value": 35.0, + "unit": "NCE", + "fraction": 0.35, + "raw": "35 (nominal)", + "unit_evidence": "RECORD_TITLE explicitly names NCE; no conversion to eV or V", + "paper_stepped_nce": [ + 20.0, + 35.0, + 50.0 + ], + "single_energy_verified": false, + "conflict": "Record labels35 NCE but cited paper Methods reports stepped20/35/50; cannot infer this is a pure35 spectrum." + }, + "source_resolution_200": 35000.0, + "source_resolution_evidence": "35000 nominal MS/MS resolving power at m/z200 documented in CASMI publication methods", + "conditions": { + "chromatography_raw": [ + "COLUMN_NAME Kinetex C18 EVO 2.6 um, 2.1x50 mm, precolumn 2.1x5 mm, 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No renormalization of retained probabilities. Positive neutral molecule adds fixed CODATA proton; negative molecule loses one natural H atom and gains CODATA electron. 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L.; Ruttkies, C.; Krauss, M.; Brouard, C.; Kind, T.; Dührkop, K.; Allen, F.; Vaniya, A.; Verdegem, D.; Böcker, S.; et al. Critical Assessment of Small Molecule Identification 2016: Automated Methods. Journal of Cheminformatics 2017, 9 (1). DOI:10.1186/s13321-017-0207-1" + ], + "COMMENT": [ + "CONFIDENCE standard compound", + "INTERNAL_ID 8114" + ], + "CH$NAME": [ + "4-Aminobenzamide" + ], + "CH$COMPOUND_CLASS": [ + "N/A; Environmental Standard" + ], + "CH$FORMULA": [ + "C7H8N2O" + ], + "CH$EXACT_MASS": [ + "136.06366" + ], + "CH$SMILES": [ + "C1=CC(=CC=C1C(=O)N)N" + ], + "CH$IUPAC": [ + "InChI=1S/C7H8N2O/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,8H2,(H2,9,10)" + ], + "CH$LINK": [ + "CAS 2835-68-9", + "PUBCHEM CID:76079", + "INCHIKEY QIKYZXDTTPVVAC-UHFFFAOYSA-N", + "CHEMSPIDER 68568", + "COMPTOX DTXSID7038814", + "ChemOnt CHEMONTID:0000176; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives" + ], + "AC$INSTRUMENT": [ + "Q Exactive Plus Orbitrap Thermo Scientific" + ], + "AC$INSTRUMENT_TYPE": [ + "LC-ESI-QFT" + ], + "AC$MASS_SPECTROMETRY": [ + "MS_TYPE MS2", + "ION_MODE POSITIVE", + "IONIZATION ESI", + "FRAGMENTATION_MODE HCD", + "COLLISION_ENERGY 35 (nominal)", + "RESOLUTION 35000" + ], + "AC$CHROMATOGRAPHY": [ + "COLUMN_NAME Kinetex C18 EVO 2.6 um, 2.1x50 mm, precolumn 2.1x5 mm, Phenomenex", + "FLOW_GRADIENT 95/5 at 0 min, 95/5 at 1 min, 0/100 at 13 min, 0/100 at 24 min", + "FLOW_RATE 300 uL/min", + "RETENTION_TIME 0.476 min", + "SOLVENT A water with 0.1% formic acid", + "SOLVENT B methanol with 0.1% formic acid" + ], + "MS$FOCUSED_ION": [ + "BASE_PEAK 152.1432", + "PRECURSOR_M/Z 137.0709", + "PRECURSOR_TYPE [M+H]+" + ], + "MS$DATA_PROCESSING": [ + "RECALIBRATE loess on assigned fragments and MS1", + "REANALYZE Peaks with additional N2/O included", + "WHOLE RMassBank 2.3.1" + ], + "PK$SPLASH": [ + "splash10-00di-1900000000-ce01d2f426643438112b" + ], + "PK$ANNOTATION": [ + "m/z tentative_formula formula_count mass error(ppm)" + ], + "PK$NUM_PEAK": [ + "12" + ], + "PK$PEAK": [ + "m/z int. rel.int." + ] + }, + "limitations": [ + "Source Q Exactive Plus differs from target Exploris120. Fixed MS2 spectrum transfer requires explicit host acceptance.", + "35000 source resolving power is not a selectable Exploris120 resolving-power setting; resampling does not create original resolution.", + "Polarity/adduct and reported nominal NCE are retained, but record35 versus paper stepped20/35/50 remains unresolved; even nominally matching NCE requires explicit source-condition transfer acceptance.", + "Source intensity is not concentration calibration, detector count, current or FT transient.", + "Precursor formula and mass reference are not a certified calibrant assignment; current mass-scale and response require explicit model observations.", + "All MS1 isotope probabilities are theoretical natural-isotope references; no actual ESI response or solvent-specific adduct equilibrium is claimed.", + "A single-peak MS2 record is a valid reference but does not establish a rich structural fragmentation pattern or unique molecular structure." + ] + }, + "sm811502": { + "substance_id": 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DOI:10.1186/s13321-017-0207-1" + ], + "COMMENT": [ + "CONFIDENCE standard compound", + "INTERNAL_ID 8115" + ], + "CH$NAME": [ + "4-Chloroaniline" + ], + "CH$COMPOUND_CLASS": [ + "N/A; Environmental Standard" + ], + "CH$FORMULA": [ + "C6H6ClN" + ], + "CH$EXACT_MASS": [ + "127.01888" + ], + "CH$SMILES": [ + "C1=CC(=CC=C1N)Cl" + ], + "CH$IUPAC": [ + "InChI=1S/C6H6ClN/c7-5-1-3-6(8)4-2-5/h1-4H,8H2" + ], + "CH$LINK": [ + "CAS 106-47-8", + "CHEBI CHEBI:20331", + "KEGG C14450", + "PUBCHEM CID:7812", + "INCHIKEY QSNSCYSYFYORTR-UHFFFAOYSA-N", + "CHEMSPIDER 13869339", + "COMPTOX DTXSID9020295", + "ChemOnt CHEMONTID:0000284; Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines" + ], + "AC$INSTRUMENT": [ + "Q Exactive Plus Orbitrap Thermo Scientific" + ], + "AC$INSTRUMENT_TYPE": [ + "LC-ESI-QFT" + ], + "AC$MASS_SPECTROMETRY": [ + "MS_TYPE MS2", + "ION_MODE POSITIVE", + "IONIZATION ESI", + "FRAGMENTATION_MODE HCD", + "COLLISION_ENERGY 35 (nominal)", + "RESOLUTION 35000" + ], + "AC$CHROMATOGRAPHY": [ + "COLUMN_NAME Kinetex C18 EVO 2.6 um, 2.1x50 mm, precolumn 2.1x5 mm, Phenomenex", + "FLOW_GRADIENT 95/5 at 0 min, 95/5 at 1 min, 0/100 at 13 min, 0/100 at 24 min", + "FLOW_RATE 300 uL/min", + "RETENTION_TIME 1.078 min", + "SOLVENT A water with 0.1% formic acid", + "SOLVENT B methanol with 0.1% formic acid" + ], + "MS$FOCUSED_ION": [ + "BASE_PEAK 128.0259", + "PRECURSOR_M/Z 128.0262", + "PRECURSOR_TYPE [M+H]+" + ], + "MS$DATA_PROCESSING": [ + "RECALIBRATE loess on assigned fragments and MS1", + "REANALYZE Peaks with additional N2/O included", + "WHOLE RMassBank 2.3.1" + ], + "PK$SPLASH": [ + "splash10-004i-3900000000-91b84b9c17c5133244bb" + ], + "PK$ANNOTATION": [ + "m/z tentative_formula formula_count mass error(ppm)" + ], + "PK$NUM_PEAK": [ + "8" + ], + "PK$PEAK": [ + "m/z int. rel.int." + ] + }, + "limitations": [ + "Source Q Exactive Plus differs from target Exploris120. 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L.; Ruttkies, C.; Krauss, M.; Brouard, C.; Kind, T.; Dührkop, K.; Allen, F.; Vaniya, A.; Verdegem, D.; Böcker, S.; et al. Critical Assessment of Small Molecule Identification 2016: Automated Methods. Journal of Cheminformatics 2017, 9 (1). DOI:10.1186/s13321-017-0207-1" + ], + "COMMENT": [ + "CONFIDENCE standard compound", + "INTERNAL_ID 8116" + ], + "CH$NAME": [ + "4-Isopropylaniline", + "4-propan-2-ylaniline" + ], + "CH$COMPOUND_CLASS": [ + "N/A; Environmental Standard" + ], + "CH$FORMULA": [ + "C9H13N" + ], + "CH$EXACT_MASS": [ + "135.10480" + ], + "CH$SMILES": [ + "CC(C)C1=CC=C(C=C1)N" + ], + "CH$IUPAC": [ + "InChI=1S/C9H13N/c1-7(2)8-3-5-9(10)6-4-8/h3-7H,10H2,1-2H3" + ], + "CH$LINK": [ + "CAS 99-88-7", + "CHEBI CHEBI:43405", + "PUBCHEM CID:7464", + "INCHIKEY LRTFPLFDLJYEKT-UHFFFAOYSA-N", + "CHEMSPIDER 13853758", + "COMPTOX DTXSID20243932", + "ChemOnt CHEMONTID:0000355; Organic compounds; Benzenoids; Benzene and substituted derivatives; Cumenes" + ], + "AC$INSTRUMENT": [ + "Q Exactive Plus Orbitrap Thermo Scientific" + ], + "AC$INSTRUMENT_TYPE": [ + "LC-ESI-QFT" + ], + "AC$MASS_SPECTROMETRY": [ + "MS_TYPE MS2", + "ION_MODE POSITIVE", + "IONIZATION ESI", + "FRAGMENTATION_MODE HCD", + "COLLISION_ENERGY 35 (nominal)", + "RESOLUTION 35000" + ], + "AC$CHROMATOGRAPHY": [ + "COLUMN_NAME Kinetex C18 EVO 2.6 um, 2.1x50 mm, precolumn 2.1x5 mm, Phenomenex", + "FLOW_GRADIENT 95/5 at 0 min, 95/5 at 1 min, 0/100 at 13 min, 0/100 at 24 min", + "FLOW_RATE 300 uL/min", + "RETENTION_TIME 2.208 min", + "SOLVENT A water with 0.1% formic acid", + "SOLVENT B methanol with 0.1% formic acid" + ], + "MS$FOCUSED_ION": [ + "BASE_PEAK 136.1119", + "PRECURSOR_M/Z 136.1121", + "PRECURSOR_TYPE [M+H]+" + ], + "MS$DATA_PROCESSING": [ + "RECALIBRATE loess on assigned fragments and MS1", + "REANALYZE Peaks with additional N2/O included", + "WHOLE RMassBank 2.3.1" + ], + "PK$SPLASH": [ + "splash10-000i-2900000000-a9b34529b57bdf58535e" + ], + "PK$ANNOTATION": [ + "m/z tentative_formula formula_count mass error(ppm)" + ], + "PK$NUM_PEAK": [ + "14" + ], + "PK$PEAK": [ + "m/z int. rel.int." + ] + }, + "limitations": [ + "Source Q Exactive Plus differs from target Exploris120. Fixed MS2 spectrum transfer requires explicit host acceptance.", + "35000 source resolving power is not a selectable Exploris120 resolving-power setting; resampling does not create original resolution.", + "Polarity/adduct and reported nominal NCE are retained, but record35 versus paper stepped20/35/50 remains unresolved; even nominally matching NCE requires explicit source-condition transfer acceptance.", + "Source intensity is not concentration calibration, detector count, current or FT transient.", + "Precursor formula and mass reference are not a certified calibrant assignment; current mass-scale and response require explicit model observations.", + "All MS1 isotope probabilities are theoretical natural-isotope references; no actual ESI response or solvent-specific adduct equilibrium is claimed.", + "A single-peak MS2 record is a valid reference but does not establish a rich structural fragmentation pattern or unique molecular structure." + ] + }, + "sm811901": { + "substance_id": "sm811901", + "accession": "MSBNK-CASMI_2016-SM811901", + "name_en": "Benz[c]acridine", + "names": [ + "Benz[c]acridine", + "Benzo[c]acridine" + ], + "formula": "C17H11N", + "element_counts": { + "C": 17, + "H": 11, + "N": 1 + }, + "inchikey": "OAPPEBNXKAKQGS-UHFFFAOYSA-N", + "inchi": "InChI=1S/C17H11N/c1-3-7-15-12(5-1)9-10-14-11-13-6-2-4-8-16(13)18-17(14)15/h1-11H", + "smiles": "C1=CC=C2C(C=CC3=CC4=CC=CC=C4N=C23)=C1", + "cas": "225-51-4", + "pubchem_cid": "CID:9181", + "molar_mass_kg_mol": 0.22927656175055855, + "molar_mass_evidence": "derived approximate average from NIST representative isotope composition, not current specimen isotopic mass", + "source_neutral_exact_mass_u": 229.08915, + "neutral_exact_mass_u": 229.08914935896, + "neutral_exact_mass_evidence": "derived from most abundant NIST isotope of each element, source rounded CH$EXACT_MASS retained separately", + "precursor_mz": 230.0964, + "precursor_mz_si_kg_c": 2.3847811390428996e-06, + "precursor_mz_evidence": "reported precursor selection/reference setting, not independently available MS1 centroid data", + "derived_precursor_mz": 230.0964258255389, + "precursor_charge": 1, + "precursor_type": "[M+H]+", + "polarity": "positive", + "ionization": "ESI", + "fragmentation_mode": "HCD", + "instrument_type": "LC-ESI-QFT", + "instrument": "Q Exactive Plus Orbitrap Thermo Scientific", + "collision_energy": { + "value": 35.0, + "unit": "NCE", + "fraction": 0.35, + "raw": "35 (nominal)", + "unit_evidence": "RECORD_TITLE explicitly names NCE; no conversion to eV or V", + "paper_stepped_nce": [ + 20.0, + 35.0, + 50.0 + ], + "single_energy_verified": false, + "conflict": "Record labels35 NCE but cited paper Methods reports stepped20/35/50; cannot infer this is a pure35 spectrum." + }, + "source_resolution_200": 35000.0, + "source_resolution_evidence": "35000 nominal MS/MS resolving power at m/z200 documented in CASMI publication methods", + "conditions": { + "chromatography_raw": [ + "COLUMN_NAME Kinetex C18 EVO 2.6 um, 2.1x50 mm, precolumn 2.1x5 mm, Phenomenex", + "FLOW_GRADIENT 95/5 at 0 min, 95/5 at 1 min, 0/100 at 13 min, 0/100 at 24 min", + "FLOW_RATE 300 uL/min", + "RETENTION_TIME 12.416 min", + "SOLVENT A water with 0.1% formic acid", + "SOLVENT B methanol with 0.1% formic acid" + ], + "spectrometry_raw": [ + "MS_TYPE MS2", + "ION_MODE POSITIVE", + "IONIZATION ESI", + "FRAGMENTATION_MODE HCD", + "COLLISION_ENERGY 35 (nominal)", + "RESOLUTION 35000" + ], + "data_processing_raw": [ + "RECALIBRATE loess on assigned fragments and MS1", + "REANALYZE Peaks with additional N2/O included", + "WHOLE RMassBank 2.3.1" + ], + "confidence_raw": [ + "CONFIDENCE standard compound", + "INTERNAL_ID 8119" + ], + "sample_concentration_kg_m3": null, + "temperature_k": null, + "electronic_profile_available": false, + "measured_on_exploris120": false + }, + "record_kind": "measured_processed_ms2_reference", + "physical_input_eligible": true, + "mass_reference_eligible": true, + "concentration_calibration_eligible": false, + "ms1_measured": null, + "single_peak_only": false, + "derived_ms1": { + "mass_to_charge_relative": [ + 230.0964258225789, + 231.0934607175789, + 231.0997806575789, + 231.1027025685789, + 232.0968155525789, + 232.0997374635789, + 232.1031354925789, + 232.1060574035789, + 232.1089793145789, + 233.1001703875789, + 233.1030922985789, + 233.1060142095789, + 233.1064903275789, + 233.1094122385789, + 233.1123341495789, + 234.1035252225789, + 234.1064471335789, + 234.1093690445789, + 234.1098451625789, + 234.1127670735789, + 234.1156889845789, + 235.1068800575789, + 235.1098019685789, + 235.1131999975789, + 235.1161219085789, + 236.1102348925789, + 236.1131568035789, + 236.1165548325789, + 237.1199096675789 + ], + "mass_to_charge_si_kg_c": [ + 2.384781406675071e-06, + 2.39511494519442e-06, + 2.3951804467568603e-06, + 2.395210730230408e-06, + 2.40551398527621e-06, + 2.4055442687497573e-06, + 2.40557948683865e-06, + 2.4056097703121973e-06, + 2.4056400537857453e-06, + 2.4159130253579995e-06, + 2.4159433088315466e-06, + 2.4159735923050942e-06, + 2.41597852692044e-06, + 2.4160088103939874e-06, + 2.4160390938675346e-06, + 2.4263120654397892e-06, + 2.426342348913337e-06, + 2.426372632386884e-06, + 2.4263775670022296e-06, + 2.4264078504757768e-06, + 2.4264381339493244e-06, + 2.4367111055215786e-06, + 2.436741388995126e-06, + 2.436776607084019e-06, + 2.436806890557566e-06, + 2.4471101456033684e-06, + 2.447140429076916e-06, + 2.4471756471658087e-06, + 2.457574687247598e-06 + ], + "probability": [ + 0.8287871791543651, + 0.0030278065479564503, + 0.15238692801797132, + 0.0010485363633120528, + 0.0005567148600760925, + 3.830615803982368e-06, + 0.013185404870452182, + 0.00019279163498075644, + 6.029777513458351e-07, + 4.817021330487569e-05, + 7.043252954052284e-07, + 2.2028574158926893e-09, + 0.0007130487825423952, + 1.6681455528507793e-05, + 1.1086793992702657e-07, + 2.604979694542453e-06, + 6.094232819841058e-08, + 4.0503362372473473e-10, + 2.699249662004721e-05, + 9.02110452618181e-07, + 9.592940117005433e-09, + 9.861163404489527e-08, + 3.2956783166026124e-09, + 7.590531244008019e-07, + 3.4149435409431805e-08, + 2.7730472648630203e-09, + 1.2475806424418057e-10, + 1.6307980647442957e-08, + 1.1370455720980332e-10 + ], + "relative_intensity": [ + 1.0, + 0.0036532980047372437, + 0.18386738097644803, + 0.0012651454917315492, + 0.0006717223360575201, + 4.621953500645188e-06, + 0.01590927707630036, + 0.00023261898811884033, + 7.275423251130288e-07, + 5.812133019966008e-05, + 8.498264851585559e-07, + 2.6579289246973233e-09, + 0.0008603520909552908, + 2.012755016978949e-05, + 1.3377130186804801e-07, + 3.1431225772584794e-06, + 7.35319388755407e-08, + 4.887064302056434e-10, + 3.2568670581497676e-05, + 1.0884705691738979e-06, + 1.1574672434958973e-08, + 1.1898305925233e-07, + 3.976507358578213e-09, + 9.158601188489489e-07, + 4.120410675787171e-08, + 3.34590994480928e-09, + 1.505308810055131e-10, + 1.967692196214045e-08, + 1.3719391427582083e-10 + ], + "retained_probability": 0.9999999978465697, + "excluded_probability": 2.1534303229486795e-09, + "evidence": "derived", + "source": [ + "nist_isotopes", + "codata2022_u", + "codata2022_e", + "codata2022_me", + "codata2022_mp" + ], + "unit": "1", + "method": "Independent natural elemental abundances normalized per element; atomic masses each rounded once to 1e-9 u and exactly summed as integer nano-u during atom convolution; prune probability<1e-10 and cap4096 states after each atom. No renormalization of retained probabilities. Positive neutral molecule adds fixed CODATA proton; negative molecule loses one natural H atom and gains CODATA electron. Electron/proton binding-energy conventions are molecular mass approximations, not measured MS1 or isotope response.", + "physical_scope": "Derived isotope-composition probabilities, not response/ionization efficiency; instrument-resolved profile is synthetic." + }, + "ms2": { + "mass_to_charge_relative": [ + 229.0881, + 230.0963 + ], + "mass_to_charge_si_kg_c": [ + 2.3743308459375014e-06, + 2.3847801026159328e-06 + ], + "raw_intensity": [ + 2767492.5, + 794541120.0 + ], + "raw_intensity_unit": "unspecified instrument intensity, not counts/A/C", + "published_relative_intensity": [ + 3, + 999 + ], + "relative_intensity": [ + 0.003483133132241161, + 1.0 + ], + "normalization": "all original raw-intensity values divided by their original maximum; full spectrum retained, no mass-domain renormalization", + "relative_intensity_unit": "1", + "evidence": "measured_literature", + "source": "massbank_sm811901", + "annotations_raw": [ + { + "line": 47, + "raw": " 229.0881 C17H11N+ 1 229.0886 -2.4" + }, + { + "line": 48, + "raw": " 230.0963 C17H12N+ 1 230.0964 -0.51" + } + ], + "source_peak_count": 2, + "original_acquisition_type": "processed centroid peak table, loess recalibrated by RMassBank; not unprocessed detector electronics" + }, + "range_40_3000": { + "original_indices": [ + 0, + 1 + ], + "retained_raw_intensity_fraction": 1.0, + "meaning": "Fraction of sums of reported intensities, not analyte yield/ion count/charge/mass" + }, + "source": "massbank_sm811901", + "evidence": "measured_literature", + "source_field_lines": { + "ACCESSION": [ + 1 + ], + "RECORD_TITLE": [ + 2 + ], + "DATE": [ + 3 + ], + "AUTHORS": [ + 4 + ], + "LICENSE": [ + 5 + ], + "COPYRIGHT": [ + 6 + ], + "PUBLICATION": [ + 7 + ], + "COMMENT": [ + 8, + 9 + ], + "CH$NAME": [ + 10, + 11 + ], + "CH$COMPOUND_CLASS": [ + 12 + ], + "CH$FORMULA": [ + 13 + ], + "CH$EXACT_MASS": [ + 14 + ], + "CH$SMILES": [ + 15 + ], + "CH$IUPAC": [ + 16 + ], + "CH$LINK": [ + 17, + 18, + 19, + 20, + 21, + 22, + 23, + 24 + ], + "AC$INSTRUMENT": [ + 25 + ], + "AC$INSTRUMENT_TYPE": [ + 26 + ], + "AC$MASS_SPECTROMETRY": [ + 27, + 28, + 29, + 30, + 31, + 32 + ], + "AC$CHROMATOGRAPHY": [ + 33, + 34, + 35, + 36, + 37, + 38 + ], + "MS$FOCUSED_ION": [ + 39, + 40, + 41 + ], + "MS$DATA_PROCESSING": [ + 42, + 43, + 44 + ], + "PK$SPLASH": [ + 45 + ], + "PK$ANNOTATION": [ + 46 + ], + "PK$NUM_PEAK": [ + 49 + ], + "PK$PEAK": [ + 50 + ] + }, + "source_headers": { + "ACCESSION": [ + "MSBNK-CASMI_2016-SM811901" + ], + "RECORD_TITLE": [ + "Benz[c]acridine; LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M+H]+" + ], + "DATE": [ + "2016.12.12" + ], + "AUTHORS": [ + "Krauss M, Schymanski EL, Weidauer C, Schupke H, UFZ and Eawag" + ], + "LICENSE": [ + "CC BY" + ], + "COPYRIGHT": [ + "Copyright (C) 2016 UFZ/Eawag" + ], + "PUBLICATION": [ + "Schymanski, E. L.; Ruttkies, C.; Krauss, M.; Brouard, C.; Kind, T.; Dührkop, K.; Allen, F.; Vaniya, A.; Verdegem, D.; Böcker, S.; et al. Critical Assessment of Small Molecule Identification 2016: Automated Methods. Journal of Cheminformatics 2017, 9 (1). DOI:10.1186/s13321-017-0207-1" + ], + "COMMENT": [ + "CONFIDENCE standard compound", + "INTERNAL_ID 8119" + ], + "CH$NAME": [ + "Benz[c]acridine", + "Benzo[c]acridine" + ], + "CH$COMPOUND_CLASS": [ + "N/A; Environmental Standard" + ], + "CH$FORMULA": [ + "C17H11N" + ], + "CH$EXACT_MASS": [ + "229.08915" + ], + "CH$SMILES": [ + "C1=CC=C2C(C=CC3=CC4=CC=CC=C4N=C23)=C1" + ], + "CH$IUPAC": [ + "InChI=1S/C17H11N/c1-3-7-15-12(5-1)9-10-14-11-13-6-2-4-8-16(13)18-17(14)15/h1-11H" + ], + "CH$LINK": [ + "CAS 225-51-4", + "CHEBI CHEBI:82398", + "KEGG C19338", + "PUBCHEM CID:9181", + "INCHIKEY OAPPEBNXKAKQGS-UHFFFAOYSA-N", + "CHEMSPIDER 8826", + "COMPTOX DTXSID9059759", + "ChemOnt CHEMONTID:0001908; Organic compounds; Organoheterocyclic compounds; Quinolines and derivatives; Benzoquinolines" + ], + "AC$INSTRUMENT": [ + "Q Exactive Plus Orbitrap Thermo Scientific" + ], + "AC$INSTRUMENT_TYPE": [ + "LC-ESI-QFT" + ], + "AC$MASS_SPECTROMETRY": [ + "MS_TYPE MS2", + "ION_MODE POSITIVE", + "IONIZATION ESI", + "FRAGMENTATION_MODE HCD", + "COLLISION_ENERGY 35 (nominal)", + "RESOLUTION 35000" + ], + "AC$CHROMATOGRAPHY": [ + "COLUMN_NAME Kinetex C18 EVO 2.6 um, 2.1x50 mm, precolumn 2.1x5 mm, Phenomenex", + "FLOW_GRADIENT 95/5 at 0 min, 95/5 at 1 min, 0/100 at 13 min, 0/100 at 24 min", + "FLOW_RATE 300 uL/min", + "RETENTION_TIME 12.416 min", + "SOLVENT A water with 0.1% formic acid", + "SOLVENT B methanol with 0.1% formic acid" + ], + "MS$FOCUSED_ION": [ + "BASE_PEAK 230.096", + "PRECURSOR_M/Z 230.0964", + "PRECURSOR_TYPE [M+H]+" + ], + "MS$DATA_PROCESSING": [ + "RECALIBRATE loess on assigned fragments and MS1", + "REANALYZE Peaks with additional N2/O included", + "WHOLE RMassBank 2.3.1" + ], + "PK$SPLASH": [ + "splash10-001i-0090000000-9fa2db898b790967c2b3" + ], + "PK$ANNOTATION": [ + "m/z tentative_formula formula_count mass error(ppm)" + ], + "PK$NUM_PEAK": [ + "2" + ], + "PK$PEAK": [ + "m/z int. rel.int." + ] + }, + "limitations": [ + "Source Q Exactive Plus differs from target Exploris120. Fixed MS2 spectrum transfer requires explicit host acceptance.", + "35000 source resolving power is not a selectable Exploris120 resolving-power setting; resampling does not create original resolution.", + "Polarity/adduct and reported nominal NCE are retained, but record35 versus paper stepped20/35/50 remains unresolved; even nominally matching NCE requires explicit source-condition transfer acceptance.", + "Source intensity is not concentration calibration, detector count, current or FT transient.", + "Precursor formula and mass reference are not a certified calibrant assignment; current mass-scale and response require explicit model observations.", + "All MS1 isotope probabilities are theoretical natural-isotope references; no actual ESI response or solvent-specific adduct equilibrium is claimed.", + "A single-peak MS2 record is a valid reference but does not establish a rich structural fragmentation pattern or unique molecular structure." + ] + }, + "sm812005": { + "substance_id": "sm812005", + "accession": "MSBNK-CASMI_2016-SM812005", + "name_en": "Benzimidazole", + "names": [ + "Benzimidazole", + "1H-Benzimidazole" + ], + "formula": "C7H6N2", + "element_counts": { + "C": 7, + "H": 6, + "N": 2 + }, + "inchikey": "HYZJCKYKOHLVJF-UHFFFAOYSA-N", + "inchi": "InChI=1S/C7H6N2/c1-2-4-7-6(3-1)8-5-9-7/h1-5H,(H,8,9)", + "smiles": "N1C=NC2=CC=CC=C12", + "cas": "51-17-2", + "pubchem_cid": "CID:5798", + "molar_mass_kg_mol": 0.11813620222437302, + "molar_mass_evidence": "derived approximate average from NIST representative isotope composition, not current specimen isotopic mass", + "source_neutral_exact_mass_u": 118.0531, + "neutral_exact_mass_u": 118.05309820224, + "neutral_exact_mass_evidence": "derived from most abundant NIST isotope of each element, source rounded CH$EXACT_MASS retained separately", + "precursor_mz": 119.0604, + "precursor_mz_si_kg_c": 1.2339740922800325e-06, + "precursor_mz_evidence": "reported precursor selection/reference setting, not independently available MS1 centroid data", + "derived_precursor_mz": 119.0603746688189, + "precursor_charge": 1, + "precursor_type": "[M+H]+", + "polarity": "positive", + "ionization": "ESI", + "fragmentation_mode": "HCD", + "instrument_type": "LC-ESI-QFT", + "instrument": "Q Exactive Plus Orbitrap Thermo Scientific", + "collision_energy": { + "value": 35.0, + "unit": "NCE", + "fraction": 0.35, + "raw": "35 (nominal)", + "unit_evidence": "RECORD_TITLE explicitly names NCE; no conversion to eV or V", + "paper_stepped_nce": [ + 20.0, + 35.0, + 50.0 + ], + "single_energy_verified": false, + "conflict": "Record labels35 NCE but cited paper Methods reports stepped20/35/50; cannot infer this is a pure35 spectrum." + }, + "source_resolution_200": 35000.0, + "source_resolution_evidence": "35000 nominal MS/MS resolving power at m/z200 documented in CASMI publication methods", + "conditions": { + "chromatography_raw": [ + "COLUMN_NAME Kinetex C18 EVO 2.6 um, 2.1x50 mm, precolumn 2.1x5 mm, Phenomenex", + "FLOW_GRADIENT 95/5 at 0 min, 95/5 at 1 min, 0/100 at 13 min, 0/100 at 24 min", + "FLOW_RATE 300 uL/min", + "RETENTION_TIME 0.476 min", + "SOLVENT A water with 0.1% formic acid", + "SOLVENT B methanol with 0.1% formic acid" + ], + "spectrometry_raw": [ + "MS_TYPE MS2", + "ION_MODE POSITIVE", + "IONIZATION ESI", + "FRAGMENTATION_MODE HCD", + "COLLISION_ENERGY 35 (nominal)", + "RESOLUTION 35000" + ], + "data_processing_raw": [ + "RECALIBRATE loess on assigned fragments and MS1", + "REANALYZE Peaks with additional N2/O included", + "WHOLE RMassBank 2.3.1" + ], + "confidence_raw": [ + "CONFIDENCE standard compound", + "INTERNAL_ID 8120" + ], + "sample_concentration_kg_m3": null, + "temperature_k": null, + "electronic_profile_available": false, + "measured_on_exploris120": false + }, + "record_kind": "measured_processed_ms2_reference", + "physical_input_eligible": true, + "mass_reference_eligible": true, + "concentration_calibration_eligible": false, + "ms1_measured": null, + "single_peak_only": false, + "derived_ms1": { + "mass_to_charge_relative": [ + 119.0603746665789, + 120.05740956157891, + 120.0637295015789, + 120.0666514125789, + 121.0544444565789, + 121.0607643965789, + 121.0636863075789, + 121.0670843365789, + 121.0700062475789, + 121.0729281585789, + 122.0577992915789, + 122.0607212025789, + 122.0641192315789, + 122.0670411425789, + 122.0699630535789, + 122.0704391715789, + 122.0733610825789, + 122.0762829935789, + 123.0611541265789, + 123.0640760375789, + 123.0674740665789, + 123.0703959775789, + 123.07379400657891, + 123.0767159175789, + 123.0796378285789, + 124.0645089615789, + 124.0708289015789, + 124.07375081257891, + 124.0771488415789 + ], + "mass_to_charge_si_kg_c": [ + 1.2339738297176245e-06, + 1.244307368236974e-06, + 1.2443728697994143e-06, + 1.2444031532729617e-06, + 1.2546409067563233e-06, + 1.2547064083187637e-06, + 1.254736691792311e-06, + 1.2547719098812038e-06, + 1.2548021933547514e-06, + 1.2548324768282988e-06, + 1.2650399468381129e-06, + 1.2650702303116605e-06, + 1.265105448400553e-06, + 1.2651357318741006e-06, + 1.2651660153476482e-06, + 1.2651709499629934e-06, + 1.2652012334365408e-06, + 1.2652315169100884e-06, + 1.2754389869199024e-06, + 1.27546927039345e-06, + 1.2755044884823428e-06, + 1.2755347719558902e-06, + 1.2755699900447832e-06, + 1.2756002735183305e-06, + 1.275630556991878e-06, + 1.2858380270016922e-06, + 1.2859035285641326e-06, + 1.28593381203768e-06, + 1.2859690301265727e-06 + ], + "probability": [ + 0.9200871197065558, + 0.006722704877216795, + 0.06965988604672092, + 0.0006349331299074629, + 1.2280022157186726e-05, + 0.0005089766454094186, + 4.639199873265014e-06, + 0.0022602672011520697, + 4.807084951993222e-05, + 1.8256426973941565e-07, + 9.297216815660423e-07, + 8.474189820288174e-09, + 1.651485931228378e-05, + 3.5123427727438537e-07, + 1.3339233647506382e-09, + 4.0744059861058555e-05, + 1.5597637416252147e-06, + 1.3821958762238172e-08, + 3.0166851287041304e-08, + 6.415817421809199e-10, + 2.977003851906001e-07, + 1.1396563530281788e-08, + 4.406766810000268e-07, + 2.8116634717122874e-08, + 2.690901908022918e-10, + 5.437941116131641e-10, + 3.2198464788632572e-09, + 2.054368910239818e-10, + 2.8597435479835977e-09 + ], + "relative_intensity": [ + 1.0, + 0.0073065960094744874, + 0.07571009804912562, + 0.0006900793591262996, + 1.3346586311417123e-05, + 0.0005531831002826634, + 5.0421310916129315e-06, + 0.0024565795485463797, + 5.2245975941129904e-05, + 1.9842063412173517e-07, + 1.0104713582585085e-06, + 9.21020372830657e-09, + 1.7949234326365614e-05, + 3.8174023932255983e-07, + 1.4497794134712674e-09, + 4.4282828210934086e-05, + 1.6952348405036596e-06, + 1.5022445664326246e-08, + 3.278695097553637e-08, + 6.973054273225128e-10, + 3.235567358942553e-07, + 1.2386396120746158e-08, + 4.789510379632009e-07, + 3.055866571210141e-08, + 2.9246164307583503e-10, + 5.910245888308889e-10, + 3.4995017427155873e-09, + 2.2327982494690498e-10, + 3.108122575279239e-09 + ], + "retained_probability": 0.999999999308337, + "excluded_probability": 6.916629491371395e-10, + "evidence": "derived", + "source": [ + "nist_isotopes", + "codata2022_u", + "codata2022_e", + "codata2022_me", + "codata2022_mp" + ], + "unit": "1", + "method": "Independent natural elemental abundances normalized per element; atomic masses each rounded once to 1e-9 u and exactly summed as integer nano-u during atom convolution; prune probability<1e-10 and cap4096 states after each atom. No renormalization of retained probabilities. Positive neutral molecule adds fixed CODATA proton; negative molecule loses one natural H atom and gains CODATA electron. Electron/proton binding-energy conventions are molecular mass approximations, not measured MS1 or isotope response.", + "physical_scope": "Derived isotope-composition probabilities, not response/ionization efficiency; instrument-resolved profile is synthetic." + }, + "ms2": { + "mass_to_charge_relative": [ + 59.0493, + 65.0386, + 92.0494, + 119.0603 + ], + "mass_to_charge_si_kg_c": [ + 6.120028688570786e-07, + 6.740775891746049e-07, + 9.54024804300352e-07, + 1.2339730558530657e-06 + ], + "raw_intensity": [ + 5846064.0, + 303218.7, + 955230.8, + 251317344.0 + ], + "raw_intensity_unit": "unspecified instrument intensity, not counts/A/C", + "published_relative_intensity": [ + 23, + 1, + 3, + 999 + ], + "relative_intensity": [ + 0.023261681454026507, + 0.001206517207184873, + 0.003800894855867966, + 1.0 + ], + "normalization": "all original raw-intensity values divided by their original maximum; full spectrum retained, no mass-domain renormalization", + "relative_intensity_unit": "1", + "evidence": "measured_literature", + "source": "massbank_sm812005", + "annotations_raw": [ + { + "line": 47, + "raw": " 59.0493 C3H7O+ 1 59.0491 2.38" + }, + { + "line": 48, + "raw": " 65.0386 C5H5+ 1 65.0386 -0.19" + }, + { + "line": 49, + "raw": " 92.0494 C6H6N+ 1 92.0495 -1.07" + }, + { + "line": 50, + "raw": " 119.0603 C7H7N2+ 1 119.0604 -0.25" + } + ], + "source_peak_count": 4, + "original_acquisition_type": "processed centroid peak table, loess recalibrated by RMassBank; not unprocessed detector electronics" + }, + "range_40_3000": { + "original_indices": [ + 0, + 1, + 2, + 3 + ], + "retained_raw_intensity_fraction": 1.0, + "meaning": "Fraction of sums of reported intensities, not analyte yield/ion count/charge/mass" + }, + "source": "massbank_sm812005", + "evidence": "measured_literature", + "source_field_lines": { + "ACCESSION": [ + 1 + ], + "RECORD_TITLE": [ + 2 + ], + "DATE": [ + 3 + ], + "AUTHORS": [ + 4 + ], + "LICENSE": [ + 5 + ], + "COPYRIGHT": [ + 6 + ], + "PUBLICATION": [ + 7 + ], + "COMMENT": [ + 8, + 9 + ], + "CH$NAME": [ + 10, + 11 + ], + "CH$COMPOUND_CLASS": [ + 12 + ], + "CH$FORMULA": [ + 13 + ], + "CH$EXACT_MASS": [ + 14 + ], + "CH$SMILES": [ + 15 + ], + "CH$IUPAC": [ + 16 + ], + "CH$LINK": [ + 17, + 18, + 19, + 20, + 21, + 22, + 23, + 24 + ], + "AC$INSTRUMENT": [ + 25 + ], + "AC$INSTRUMENT_TYPE": [ + 26 + ], + "AC$MASS_SPECTROMETRY": [ + 27, + 28, + 29, + 30, + 31, + 32 + ], + "AC$CHROMATOGRAPHY": [ + 33, + 34, + 35, + 36, + 37, + 38 + ], + "MS$FOCUSED_ION": [ + 39, + 40, + 41 + ], + "MS$DATA_PROCESSING": [ + 42, + 43, + 44 + ], + "PK$SPLASH": [ + 45 + ], + "PK$ANNOTATION": [ + 46 + ], + "PK$NUM_PEAK": [ + 51 + ], + "PK$PEAK": [ + 52 + ] + }, + "source_headers": { + "ACCESSION": [ + "MSBNK-CASMI_2016-SM812005" + ], + "RECORD_TITLE": [ + "Benzimidazole; LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M+H]+" + ], + "DATE": [ + "2016.12.12" + ], + "AUTHORS": [ + "Krauss M, Schymanski EL, Weidauer C, Schupke H, UFZ and Eawag" + ], + "LICENSE": [ + "CC BY" + ], + "COPYRIGHT": [ + "Copyright (C) 2016 UFZ/Eawag" + ], + "PUBLICATION": [ + "Schymanski, E. L.; Ruttkies, C.; Krauss, M.; Brouard, C.; Kind, T.; Dührkop, K.; Allen, F.; Vaniya, A.; Verdegem, D.; Böcker, S.; et al. Critical Assessment of Small Molecule Identification 2016: Automated Methods. Journal of Cheminformatics 2017, 9 (1). DOI:10.1186/s13321-017-0207-1" + ], + "COMMENT": [ + "CONFIDENCE standard compound", + "INTERNAL_ID 8120" + ], + "CH$NAME": [ + "Benzimidazole", + "1H-Benzimidazole" + ], + "CH$COMPOUND_CLASS": [ + "N/A; Environmental Standard" + ], + "CH$FORMULA": [ + "C7H6N2" + ], + "CH$EXACT_MASS": [ + "118.05310" + ], + "CH$SMILES": [ + "N1C=NC2=CC=CC=C12" + ], + "CH$IUPAC": [ + "InChI=1S/C7H6N2/c1-2-4-7-6(3-1)8-5-9-7/h1-5H,(H,8,9)" + ], + "CH$LINK": [ + "CAS 51-17-2", + "CHEBI CHEBI:41275", + "KEGG C02009", + "PUBCHEM CID:5798", + "INCHIKEY HYZJCKYKOHLVJF-UHFFFAOYSA-N", + "CHEMSPIDER 5593", + "COMPTOX DTXSID8024573", + "ChemOnt CHEMONTID:0000294; Organic compounds; Organoheterocyclic compounds; Benzimidazoles" + ], + "AC$INSTRUMENT": [ + "Q Exactive Plus Orbitrap Thermo Scientific" + ], + "AC$INSTRUMENT_TYPE": [ + "LC-ESI-QFT" + ], + "AC$MASS_SPECTROMETRY": [ + "MS_TYPE MS2", + "ION_MODE POSITIVE", + "IONIZATION ESI", + "FRAGMENTATION_MODE HCD", + "COLLISION_ENERGY 35 (nominal)", + "RESOLUTION 35000" + ], + "AC$CHROMATOGRAPHY": [ + "COLUMN_NAME Kinetex C18 EVO 2.6 um, 2.1x50 mm, precolumn 2.1x5 mm, Phenomenex", + "FLOW_GRADIENT 95/5 at 0 min, 95/5 at 1 min, 0/100 at 13 min, 0/100 at 24 min", + "FLOW_RATE 300 uL/min", + "RETENTION_TIME 0.476 min", + "SOLVENT A water with 0.1% formic acid", + "SOLVENT B methanol with 0.1% formic acid" + ], + "MS$FOCUSED_ION": [ + "BASE_PEAK 152.1432", + "PRECURSOR_M/Z 119.0604", + "PRECURSOR_TYPE [M+H]+" + ], + "MS$DATA_PROCESSING": [ + "RECALIBRATE loess on assigned fragments and MS1", + "REANALYZE Peaks with additional N2/O included", + "WHOLE RMassBank 2.3.1" + ], + "PK$SPLASH": [ + "splash10-014i-0900000000-bd88b80667e7579ea2d2" + ], + "PK$ANNOTATION": [ + "m/z tentative_formula formula_count mass error(ppm)" + ], + "PK$NUM_PEAK": [ + "4" + ], + "PK$PEAK": [ + "m/z int. rel.int." + ] + }, + "limitations": [ + "Source Q Exactive Plus differs from target Exploris120. Fixed MS2 spectrum transfer requires explicit host acceptance.", + "35000 source resolving power is not a selectable Exploris120 resolving-power setting; resampling does not create original resolution.", + "Polarity/adduct and reported nominal NCE are retained, but record35 versus paper stepped20/35/50 remains unresolved; even nominally matching NCE requires explicit source-condition transfer acceptance.", + "Source intensity is not concentration calibration, detector count, current or FT transient.", + "Precursor formula and mass reference are not a certified calibrant assignment; current mass-scale and response require explicit model observations.", + "All MS1 isotope probabilities are theoretical natural-isotope references; no actual ESI response or solvent-specific adduct equilibrium is claimed.", + "A single-peak MS2 record is a valid reference but does not establish a rich structural fragmentation pattern or unique molecular structure." + ] + }, + "sm812203": { + "substance_id": "sm812203", + "accession": "MSBNK-CASMI_2016-SM812203", + "name_en": "Isophorone diamine", + "names": [ + "Isophorone diamine", + "3-(aminomethyl)-3,5,5-trimethylcyclohexan-1-amine" + ], + "formula": "C10H22N2", + "element_counts": { + "C": 10, + "H": 22, + "N": 2 + }, + "inchikey": "RNLHGQLZWXBQNY-UHFFFAOYSA-N", + "inchi": "InChI=1S/C10H22N2/c1-9(2)4-8(12)5-10(3,6-9)7-11/h8H,4-7,11-12H2,1-3H3", + "smiles": "CC1(CC(CC(C1)(C)CN)N)C", + "cas": "2855-13-2", + "pubchem_cid": "CID:17857", + "molar_mass_kg_mol": 0.17029546197947118, + "molar_mass_evidence": "derived approximate average from NIST representative isotope composition, not current specimen isotopic mass", + "source_neutral_exact_mass_u": 170.1783, + "neutral_exact_mass_u": 170.17829871792, + "neutral_exact_mass_evidence": "derived from most abundant NIST isotope of each element, source rounded CH$EXACT_MASS retained separately", + "precursor_mz": 171.1856, + "precursor_mz_si_kg_c": 1.7742137215347226e-06, + 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L.; Ruttkies, C.; Krauss, M.; Brouard, C.; Kind, T.; Dührkop, K.; Allen, F.; Vaniya, A.; Verdegem, D.; Böcker, S.; et al. Critical Assessment of Small Molecule Identification 2016: Automated Methods. Journal of Cheminformatics 2017, 9 (1). DOI:10.1186/s13321-017-0207-1" + ], + "COMMENT": [ + "CONFIDENCE standard compound", + "INTERNAL_ID 8122" + ], + "CH$NAME": [ + "Isophorone diamine", + "3-(aminomethyl)-3,5,5-trimethylcyclohexan-1-amine" + ], + "CH$COMPOUND_CLASS": [ + "N/A; Environmental Standard" + ], + "CH$FORMULA": [ + "C10H22N2" + ], + "CH$EXACT_MASS": [ + "170.17830" + ], + "CH$SMILES": [ + "CC1(CC(CC(C1)(C)CN)N)C" + ], + "CH$IUPAC": [ + "InChI=1S/C10H22N2/c1-9(2)4-8(12)5-10(3,6-9)7-11/h8H,4-7,11-12H2,1-3H3" + ], + "CH$LINK": [ + "CAS 2855-13-2", + "PUBCHEM CID:17857", + "INCHIKEY RNLHGQLZWXBQNY-UHFFFAOYSA-N", + "CHEMSPIDER 16867", + "COMPTOX DTXSID6027503", + "ChemOnt CHEMONTID:0002674; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Cyclohexylamines" + ], + "AC$INSTRUMENT": [ + "Q Exactive Plus Orbitrap Thermo Scientific" + ], + "AC$INSTRUMENT_TYPE": [ + "LC-ESI-QFT" + ], + "AC$MASS_SPECTROMETRY": [ + "MS_TYPE MS2", + "ION_MODE POSITIVE", + "IONIZATION ESI", + "FRAGMENTATION_MODE HCD", + "COLLISION_ENERGY 35 (nominal)", + "RESOLUTION 35000" + ], + "AC$CHROMATOGRAPHY": [ + "COLUMN_NAME Kinetex C18 EVO 2.6 um, 2.1x50 mm, precolumn 2.1x5 mm, Phenomenex", + "FLOW_GRADIENT 95/5 at 0 min, 95/5 at 1 min, 0/100 at 13 min, 0/100 at 24 min", + "FLOW_RATE 300 uL/min", + "RETENTION_TIME 0.382 min", + "SOLVENT A water with 0.1% formic acid", + "SOLVENT B methanol with 0.1% formic acid" + ], + "MS$FOCUSED_ION": [ + "BASE_PEAK 171.1852", + "PRECURSOR_M/Z 171.1856", + "PRECURSOR_TYPE [M+H]+" + ], + "MS$DATA_PROCESSING": [ + "RECALIBRATE loess on assigned fragments and MS1", + "REANALYZE Peaks with additional N2/O included", + "WHOLE RMassBank 2.3.1" + ], + "PK$SPLASH": [ + "splash10-0uk9-1900000000-535e47e95ddee70f8239" + ], + "PK$ANNOTATION": [ + "m/z tentative_formula formula_count mass error(ppm)" + ], + "PK$NUM_PEAK": [ + "12" + ], + "PK$PEAK": [ + "m/z int. rel.int." + ] + }, + "limitations": [ + "Source Q Exactive Plus differs from target Exploris120. Fixed MS2 spectrum transfer requires explicit host acceptance.", + "35000 source resolving power is not a selectable Exploris120 resolving-power setting; resampling does not create original resolution.", + "Polarity/adduct and reported nominal NCE are retained, but record35 versus paper stepped20/35/50 remains unresolved; even nominally matching NCE requires explicit source-condition transfer acceptance.", + "Source intensity is not concentration calibration, detector count, current or FT transient.", + "Precursor formula and mass reference are not a certified calibrant assignment; current mass-scale and response require explicit model observations.", + "All MS1 isotope probabilities are theoretical natural-isotope references; no actual ESI response or solvent-specific adduct equilibrium is claimed.", + "A single-peak MS2 record is a valid reference but does not establish a rich structural fragmentation pattern or unique molecular structure." + ] + }, + "sm812301": { + "substance_id": 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L.; Ruttkies, C.; Krauss, M.; Brouard, C.; Kind, T.; Dührkop, K.; Allen, F.; Vaniya, A.; Verdegem, D.; Böcker, S.; et al. Critical Assessment of Small Molecule Identification 2016: Automated Methods. Journal of Cheminformatics 2017, 9 (1). DOI:10.1186/s13321-017-0207-1" + ], + "COMMENT": [ + "CONFIDENCE standard compound", + "INTERNAL_ID 8123" + ], + "CH$NAME": [ + "Michler`s ketone", + "bis[4-(dimethylamino)phenyl]methanone" + ], + "CH$COMPOUND_CLASS": [ + "N/A; Environmental Standard" + ], + "CH$FORMULA": [ + "C17H20N2O" + ], + "CH$EXACT_MASS": [ + "268.15756" + ], + "CH$SMILES": [ + "CN(C)C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)N(C)C" + ], + "CH$IUPAC": [ + "InChI=1S/C17H20N2O/c1-18(2)15-9-5-13(6-10-15)17(20)14-7-11-16(12-8-14)19(3)4/h5-12H,1-4H3" + ], + "CH$LINK": [ + "CAS 96-98-0", + "CHEBI CHEBI:82347", + "KEGG C19266", + "PUBCHEM CID:7031", + "INCHIKEY VVBLNCFGVYUYGU-UHFFFAOYSA-N", + "CHEMSPIDER 6764", + "COMPTOX DTXSID2020894", + "ChemOnt CHEMONTID:0000120; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzophenones" + ], + "AC$INSTRUMENT": [ + "Q Exactive Plus Orbitrap Thermo Scientific" + ], + "AC$INSTRUMENT_TYPE": [ + "LC-ESI-QFT" + ], + "AC$MASS_SPECTROMETRY": [ + "MS_TYPE MS2", + "ION_MODE POSITIVE", + "IONIZATION ESI", + "FRAGMENTATION_MODE HCD", + "COLLISION_ENERGY 35 (nominal)", + "RESOLUTION 35000" + ], + "AC$CHROMATOGRAPHY": [ + "COLUMN_NAME Kinetex C18 EVO 2.6 um, 2.1x50 mm, precolumn 2.1x5 mm, Phenomenex", + "FLOW_GRADIENT 95/5 at 0 min, 95/5 at 1 min, 0/100 at 13 min, 0/100 at 24 min", + "FLOW_RATE 300 uL/min", + "RETENTION_TIME 12.000 min", + "SOLVENT A water with 0.1% formic acid", + "SOLVENT B methanol with 0.1% formic acid" + ], + "MS$FOCUSED_ION": [ + "BASE_PEAK 269.1644", + "PRECURSOR_M/Z 269.1648", + "PRECURSOR_TYPE [M+H]+" + ], + "MS$DATA_PROCESSING": [ + "RECALIBRATE loess on assigned fragments and MS1", + "REANALYZE Peaks with additional N2/O included", + "WHOLE RMassBank 2.3.1" + ], + "PK$SPLASH": [ + "splash10-00kb-0970000000-31b2826a55f412163f57" + ], + "PK$ANNOTATION": [ + "m/z tentative_formula formula_count mass error(ppm)" + ], + "PK$NUM_PEAK": [ + "16" + ], + "PK$PEAK": [ + "m/z int. rel.int." + ] + }, + "limitations": [ + "Source Q Exactive Plus differs from target Exploris120. Fixed MS2 spectrum transfer requires explicit host acceptance.", + "35000 source resolving power is not a selectable Exploris120 resolving-power setting; resampling does not create original resolution.", + "Polarity/adduct and reported nominal NCE are retained, but record35 versus paper stepped20/35/50 remains unresolved; even nominally matching NCE requires explicit source-condition transfer acceptance.", + "Source intensity is not concentration calibration, detector count, current or FT transient.", + "Precursor formula and mass reference are not a certified calibrant assignment; current mass-scale and response require explicit model observations.", + "All MS1 isotope probabilities are theoretical natural-isotope references; no actual ESI response or solvent-specific adduct equilibrium is claimed.", + "A single-peak MS2 record is a valid reference but does not establish a rich structural fragmentation pattern or unique molecular structure." + ] + }, + "sm812601": { + "substance_id": "sm812601", + "accession": "MSBNK-CASMI_2016-SM812601", + "name_en": "N-Methylaniline", + "names": [ + "N-Methylaniline" + ], + "formula": "C7H9N", + "element_counts": { + "C": 7, + "H": 9, + "N": 1 + }, + "inchikey": "AFBPFSWMIHJQDM-UHFFFAOYSA-N", + "inchi": "InChI=1S/C7H9N/c1-8-7-5-3-2-4-6-7/h2-6,8H,1H3", + "smiles": "CNC1=CC=CC=C1", + "cas": "100-61-8", + "pubchem_cid": "CID:7515", + "molar_mass_kg_mol": 0.10715332127509454, + "molar_mass_evidence": "derived approximate average from NIST representative isotope composition, not current specimen isotopic mass", + "source_neutral_exact_mass_u": 107.0735, + "neutral_exact_mass_u": 107.0734992945, + "neutral_exact_mass_evidence": "derived from most abundant NIST isotope of each element, source rounded CH$EXACT_MASS retained separately", + "precursor_mz": 108.0808, + "precursor_mz_si_kg_c": 1.1201785570424735e-06, + "precursor_mz_evidence": "reported precursor selection/reference setting, not independently available MS1 centroid data", + "derived_precursor_mz": 108.0807757610789, + "precursor_charge": 1, + "precursor_type": "[M+H]+", + "polarity": "positive", + "ionization": "ESI", + "fragmentation_mode": "HCD", + "instrument_type": "LC-ESI-QFT", + "instrument": "Q Exactive Plus Orbitrap Thermo Scientific", + "collision_energy": { + "value": 35.0, + "unit": "NCE", + "fraction": 0.35, + "raw": "35 (nominal)", + "unit_evidence": "RECORD_TITLE explicitly names NCE; no conversion to eV or V", + "paper_stepped_nce": [ + 20.0, + 35.0, + 50.0 + ], + "single_energy_verified": false, + "conflict": "Record labels35 NCE but cited paper Methods reports stepped20/35/50; cannot infer this is a pure35 spectrum." + }, + "source_resolution_200": 35000.0, + "source_resolution_evidence": "35000 nominal MS/MS resolving power at m/z200 documented in CASMI publication methods", + "conditions": { + "chromatography_raw": [ + "COLUMN_NAME Kinetex C18 EVO 2.6 um, 2.1x50 mm, precolumn 2.1x5 mm, Phenomenex", + "FLOW_GRADIENT 95/5 at 0 min, 95/5 at 1 min, 0/100 at 13 min, 0/100 at 24 min", + "FLOW_RATE 300 uL/min", + "RETENTION_TIME 0.476 min", + "SOLVENT A water with 0.1% formic acid", + "SOLVENT B methanol with 0.1% formic acid" + ], + "spectrometry_raw": [ + "MS_TYPE MS2", + "ION_MODE POSITIVE", + "IONIZATION ESI", + "FRAGMENTATION_MODE HCD", + "COLLISION_ENERGY 35 (nominal)", + "RESOLUTION 35000" + ], + "data_processing_raw": [ + "RECALIBRATE loess on assigned fragments and MS1", + "REANALYZE Peaks with additional N2/O included", + "WHOLE RMassBank 2.3.1" + ], + "confidence_raw": [ + "CONFIDENCE standard compound", + "INTERNAL_ID 8126" + ], + "sample_concentration_kg_m3": null, + "temperature_k": null, + "electronic_profile_available": false, + "measured_on_exploris120": false + }, + "record_kind": "measured_processed_ms2_reference", + "physical_input_eligible": true, + "mass_reference_eligible": true, + "concentration_calibration_eligible": false, + "ms1_measured": null, + "single_peak_only": false, + "derived_ms1": { + "mass_to_charge_relative": [ + 108.0807757585789, + 109.07781065357891, + 109.0841305935789, + 109.0870525045789, + 110.0811654885789, + 110.0840873995789, + 110.0874854285789, + 110.0904073395789, + 110.0933292505789, + 111.0845203235789, + 111.0874422345789, + 111.0903641455789, + 111.0908402635789, + 111.0937621745789, + 111.0966840855789, + 112.0878751585789, + 112.0907970695789, + 112.0937189805789, + 112.09419509857891, + 112.0971170095789, + 112.1000389205789, + 113.0912299935789, + 113.09415190457891, + 113.0975499335789 + ], + "mass_to_charge_si_kg_c": [ + 1.1201783057978481e-06, + 1.1305118443171977e-06, + 1.130577345879638e-06, + 1.1306076293531853e-06, + 1.1409108843989873e-06, + 1.1409411678725347e-06, + 1.1409763859614275e-06, + 1.141006669434975e-06, + 1.1410369529085224e-06, + 1.1513099244807768e-06, + 1.1513402079543244e-06, + 1.1513704914278718e-06, + 1.151375426043217e-06, + 1.1514057095167646e-06, + 1.151435992990312e-06, + 1.1617089645625664e-06, + 1.1617392480361138e-06, + 1.1617695315096614e-06, + 1.1617744661250068e-06, + 1.1618047495985541e-06, + 1.1618350330721017e-06, + 1.1721080046443562e-06, + 1.1721382881179038e-06, + 1.1721735062067965e-06 + ], + "probability": [ + 0.9231299190586878, + 0.0033724686914103573, + 0.06989025668401466, + 0.0009555493544014981, + 0.00025532993529428456, + 3.4909065498629545e-06, + 0.0022677420798108473, + 7.234473531251613e-05, + 4.3960325739929e-07, + 8.284737615431656e-06, + 2.6429687717045914e-07, + 1.6060017031328191e-09, + 4.0878803622049355e-05, + 2.3473830016494166e-06, + 3.328240572041526e-08, + 1.493424517084785e-07, + 8.575689636279935e-09, + 1.215905464112485e-10, + 4.4213403290804417e-07, + 4.231442790803051e-08, + 8.999336430012215e-10, + 1.6152473802493886e-09, + 1.545872150480058e-10, + 2.869200941342004e-09 + ], + "relative_intensity": [ + 1.0, + 0.0036532980047372437, + 0.07571009804912564, + 0.0010351190386894494, + 0.00027659155014133176, + 3.7815983187096992e-06, + 0.0024565795485463797, + 7.83689639116949e-05, + 4.7620952189216425e-07, + 8.974617163182808e-06, + 2.8630517949191995e-07, + 1.7397352961655205e-09, + 4.428282821093408e-05, + 2.5428522607554897e-06, + 3.6053869594383e-08, + 1.617783679471276e-07, + 9.28979709055962e-09, + 1.3171552985221617e-10, + 4.789510379632009e-07, + 4.5837998568152117e-08, + 9.748721435861168e-10, + 1.7497508713577938e-09, + 1.6745986871017874e-10, + 3.108122575279239e-09 + ], + "retained_probability": 0.9999999991854248, + "excluded_probability": 8.145751850818783e-10, + "evidence": "derived", + "source": [ + "nist_isotopes", + "codata2022_u", + "codata2022_e", + "codata2022_me", + "codata2022_mp" + ], + "unit": "1", + "method": "Independent natural elemental abundances normalized per element; atomic masses each rounded once to 1e-9 u and exactly summed as integer nano-u during atom convolution; prune probability<1e-10 and cap4096 states after each atom. No renormalization of retained probabilities. Positive neutral molecule adds fixed CODATA proton; negative molecule loses one natural H atom and gains CODATA electron. Electron/proton binding-energy conventions are molecular mass approximations, not measured MS1 or isotope response.", + "physical_scope": "Derived isotope-composition probabilities, not response/ionization efficiency; instrument-resolved profile is synthetic." + }, + "ms2": { + "mass_to_charge_relative": [ + 66.0465, + 80.0495, + 91.0542, + 92.0494, + 93.0573, + 108.0807 + ], + "mass_to_charge_si_kg_c": [ + 6.845237365721361e-07, + 8.296546047213889e-07, + 9.437102831275934e-07, + 9.54024804300352e-07, + 9.644709516978832e-07, + 1.120177520615507e-06 + ], + "raw_intensity": [ + 365356.3, + 273147.0, + 1305723.6, + 346960.2, + 202538224.0, + 197660144.0 + ], + "raw_intensity_unit": "unspecified instrument intensity, not counts/A/C", + "published_relative_intensity": [ + 1, + 1, + 6, + 1, + 999, + 974 + ], + "relative_intensity": [ + 0.0018038881391593518, + 0.001348619507989761, + 0.006446800876460732, + 0.001713060345586915, + 1.0, + 0.9759152622963654 + ], + "normalization": "all original raw-intensity values divided by their original maximum; full spectrum retained, no mass-domain renormalization", + "relative_intensity_unit": "1", + "evidence": "measured_literature", + "source": "massbank_sm812601", + "annotations_raw": [ + { + "line": 46, + "raw": " 66.0465 C5H6+ 1 66.0464 0.91" + }, + { + "line": 47, + "raw": " 80.0495 C5H6N+ 1 80.0495 -0.09" + }, + { + "line": 48, + "raw": " 91.0542 C7H7+ 1 91.0542 0.08" + }, + { + "line": 49, + "raw": " 92.0494 C6H6N+ 1 92.0495 -1.15" + }, + { + "line": 50, + "raw": " 93.0573 C6H7N+ 1 93.0573 -0.25" + }, + { + "line": 51, + "raw": " 108.0807 C7H10N+ 1 108.0808 -0.27" + } + ], + "source_peak_count": 6, + "original_acquisition_type": "processed centroid peak table, loess recalibrated by RMassBank; not unprocessed detector electronics" + }, + "range_40_3000": { + "original_indices": [ + 0, + 1, + 2, + 3, + 4, + 5 + ], + "retained_raw_intensity_fraction": 1.0, + "meaning": "Fraction of sums of reported intensities, not analyte yield/ion count/charge/mass" + }, + "source": "massbank_sm812601", + "evidence": "measured_literature", + "source_field_lines": { + "ACCESSION": [ + 1 + ], + "RECORD_TITLE": [ + 2 + ], + "DATE": [ + 3 + ], + "AUTHORS": [ + 4 + ], + "LICENSE": [ + 5 + ], + "COPYRIGHT": [ + 6 + ], + "PUBLICATION": [ + 7 + ], + "COMMENT": [ + 8, + 9 + ], + "CH$NAME": [ + 10 + ], + "CH$COMPOUND_CLASS": [ + 11 + ], + "CH$FORMULA": [ + 12 + ], + "CH$EXACT_MASS": [ + 13 + ], + "CH$SMILES": [ + 14 + ], + "CH$IUPAC": [ + 15 + ], + "CH$LINK": [ + 16, + 17, + 18, + 19, + 20, + 21, + 22, + 23 + ], + "AC$INSTRUMENT": [ + 24 + ], + "AC$INSTRUMENT_TYPE": [ + 25 + ], + "AC$MASS_SPECTROMETRY": [ + 26, + 27, + 28, + 29, + 30, + 31 + ], + "AC$CHROMATOGRAPHY": [ + 32, + 33, + 34, + 35, + 36, + 37 + ], + "MS$FOCUSED_ION": [ + 38, + 39, + 40 + ], + "MS$DATA_PROCESSING": [ + 41, + 42, + 43 + ], + "PK$SPLASH": [ + 44 + ], + "PK$ANNOTATION": [ + 45 + ], + "PK$NUM_PEAK": [ + 52 + ], + "PK$PEAK": [ + 53 + ] + }, + "source_headers": { + "ACCESSION": [ + "MSBNK-CASMI_2016-SM812601" + ], + "RECORD_TITLE": [ + "N-Methylaniline; LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M+H]+" + ], + "DATE": [ + "2016.12.12" + ], + "AUTHORS": [ + "Krauss M, Schymanski EL, Weidauer C, Schupke H, UFZ and Eawag" + ], + "LICENSE": [ + "CC BY" + ], + "COPYRIGHT": [ + "Copyright (C) 2016 UFZ/Eawag" + ], + "PUBLICATION": [ + "Schymanski, E. L.; Ruttkies, C.; Krauss, M.; Brouard, C.; Kind, T.; Dührkop, K.; Allen, F.; Vaniya, A.; Verdegem, D.; Böcker, S.; et al. Critical Assessment of Small Molecule Identification 2016: Automated Methods. Journal of Cheminformatics 2017, 9 (1). DOI:10.1186/s13321-017-0207-1" + ], + "COMMENT": [ + "CONFIDENCE standard compound", + "INTERNAL_ID 8126" + ], + "CH$NAME": [ + "N-Methylaniline" + ], + "CH$COMPOUND_CLASS": [ + "N/A; Environmental Standard" + ], + "CH$FORMULA": [ + "C7H9N" + ], + "CH$EXACT_MASS": [ + "107.07350" + ], + "CH$SMILES": [ + "CNC1=CC=CC=C1" + ], + "CH$IUPAC": [ + "InChI=1S/C7H9N/c1-8-7-5-3-2-4-6-7/h2-6,8H,1H3" + ], + "CH$LINK": [ + "CAS 100-61-8", + "CHEBI CHEBI:15733", + "KEGG C02299", + "PUBCHEM CID:7515", + "INCHIKEY AFBPFSWMIHJQDM-UHFFFAOYSA-N", + "CHEMSPIDER 7234", + "COMPTOX DTXSID9021841", + "ChemOnt CHEMONTID:0002449; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines" + ], + "AC$INSTRUMENT": [ + "Q Exactive Plus Orbitrap Thermo Scientific" + ], + "AC$INSTRUMENT_TYPE": [ + "LC-ESI-QFT" + ], + "AC$MASS_SPECTROMETRY": [ + "MS_TYPE MS2", + "ION_MODE POSITIVE", + "IONIZATION ESI", + "FRAGMENTATION_MODE HCD", + "COLLISION_ENERGY 35 (nominal)", + "RESOLUTION 35000" + ], + "AC$CHROMATOGRAPHY": [ + "COLUMN_NAME Kinetex C18 EVO 2.6 um, 2.1x50 mm, precolumn 2.1x5 mm, Phenomenex", + "FLOW_GRADIENT 95/5 at 0 min, 95/5 at 1 min, 0/100 at 13 min, 0/100 at 24 min", + "FLOW_RATE 300 uL/min", + "RETENTION_TIME 0.476 min", + "SOLVENT A water with 0.1% formic acid", + "SOLVENT B methanol with 0.1% formic acid" + ], + "MS$FOCUSED_ION": [ + "BASE_PEAK 152.1432", + "PRECURSOR_M/Z 108.0808", + "PRECURSOR_TYPE [M+H]+" + ], + "MS$DATA_PROCESSING": [ + "RECALIBRATE loess on assigned fragments and MS1", + "REANALYZE Peaks with additional N2/O included", + "WHOLE RMassBank 2.3.1" + ], + "PK$SPLASH": [ + "splash10-052f-9800000000-abdf405408a9ef724d9e" + ], + "PK$ANNOTATION": [ + "m/z tentative_formula formula_count mass error(ppm)" + ], + "PK$NUM_PEAK": [ + "6" + ], + "PK$PEAK": [ + "m/z int. rel.int." + ] + }, + "limitations": [ + "Source Q Exactive Plus differs from target Exploris120. Fixed MS2 spectrum transfer requires explicit host acceptance.", + "35000 source resolving power is not a selectable Exploris120 resolving-power setting; resampling does not create original resolution.", + "Polarity/adduct and reported nominal NCE are retained, but record35 versus paper stepped20/35/50 remains unresolved; even nominally matching NCE requires explicit source-condition transfer acceptance.", + "Source intensity is not concentration calibration, detector count, current or FT transient.", + "Precursor formula and mass reference are not a certified calibrant assignment; current mass-scale and response require explicit model observations.", + "All MS1 isotope probabilities are theoretical natural-isotope references; no actual ESI response or solvent-specific adduct equilibrium is claimed.", + "A single-peak MS2 record is a valid reference but does not establish a rich structural fragmentation pattern or unique molecular structure." + ] + }, + "sm812701": { + "substance_id": "sm812701", + "accession": "MSBNK-CASMI_2016-SM812701", + "name_en": "N-phenyl-1-naphthylamine", + "names": [ + "N-phenyl-1-naphthylamine", + "N-phenylnaphthalen-1-amine" + ], + "formula": "C16H13N", + "element_counts": { + "C": 16, + "H": 13, + "N": 1 + }, + "inchikey": "XQVWYOYUZDUNRW-UHFFFAOYSA-N", + "inchi": "InChI=1S/C16H13N/c1-2-9-14(10-3-1)17-16-12-6-8-13-7-4-5-11-15(13)16/h1-12,17H", + "smiles": "C1=CC=C(C=C1)NC2=CC=CC3=CC=CC=C32", + "cas": "90-30-2", + "pubchem_cid": "CID:7013", + "molar_mass_kg_mol": 0.2192817073619349, + "molar_mass_evidence": "derived approximate average from NIST representative isotope composition, not current specimen isotopic mass", + "source_neutral_exact_mass_u": 219.1048, + "neutral_exact_mass_u": 219.10479942342, + "neutral_exact_mass_evidence": "derived from most abundant NIST isotope of each element, source rounded CH$EXACT_MASS retained separately", + "precursor_mz": 220.1121, + "precursor_mz_si_kg_c": 2.281301161405066e-06, + "precursor_mz_evidence": "reported precursor selection/reference setting, not independently available MS1 centroid data", + "derived_precursor_mz": 220.1120758899989, + "precursor_charge": 1, + "precursor_type": "[M+H]+", + "polarity": "positive", + "ionization": "ESI", + "fragmentation_mode": "HCD", + "instrument_type": "LC-ESI-QFT", + "instrument": "Q Exactive Plus Orbitrap Thermo Scientific", + "collision_energy": { + "value": 35.0, + "unit": "NCE", + "fraction": 0.35, + "raw": "35 (nominal)", + "unit_evidence": "RECORD_TITLE explicitly names NCE; 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LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M+H]+" + ], + "DATE": [ + "2016.12.12" + ], + "AUTHORS": [ + "Krauss M, Schymanski EL, Weidauer C, Schupke H, UFZ and Eawag" + ], + "LICENSE": [ + "CC BY" + ], + "COPYRIGHT": [ + "Copyright (C) 2016 UFZ/Eawag" + ], + "PUBLICATION": [ + "Schymanski, E. L.; Ruttkies, C.; Krauss, M.; Brouard, C.; Kind, T.; Dührkop, K.; Allen, F.; Vaniya, A.; Verdegem, D.; Böcker, S.; et al. Critical Assessment of Small Molecule Identification 2016: Automated Methods. Journal of Cheminformatics 2017, 9 (1). DOI:10.1186/s13321-017-0207-1" + ], + "COMMENT": [ + "CONFIDENCE standard compound", + "INTERNAL_ID 8127" + ], + "CH$NAME": [ + "N-phenyl-1-naphthylamine", + "N-phenylnaphthalen-1-amine" + ], + "CH$COMPOUND_CLASS": [ + "N/A; Environmental Standard" + ], + "CH$FORMULA": [ + "C16H13N" + ], + "CH$EXACT_MASS": [ + "219.10480" + ], + "CH$SMILES": [ + "C1=CC=C(C=C1)NC2=CC=CC3=CC=CC=C32" + ], + "CH$IUPAC": [ + "InChI=1S/C16H13N/c1-2-9-14(10-3-1)17-16-12-6-8-13-7-4-5-11-15(13)16/h1-12,17H" + ], + "CH$LINK": [ + "CAS 90-30-2", + "CHEBI CHEBI:34876", + "KEGG C14405", + "PUBCHEM CID:7013", + "INCHIKEY XQVWYOYUZDUNRW-UHFFFAOYSA-N", + "CHEMSPIDER 6746", + "COMPTOX DTXSID2025892", + "ChemOnt CHEMONTID:0000023; Organic compounds; Benzenoids; Naphthalenes" + ], + "AC$INSTRUMENT": [ + "Q Exactive Plus Orbitrap Thermo Scientific" + ], + "AC$INSTRUMENT_TYPE": [ + "LC-ESI-QFT" + ], + "AC$MASS_SPECTROMETRY": [ + "MS_TYPE MS2", + "ION_MODE POSITIVE", + "IONIZATION ESI", + "FRAGMENTATION_MODE HCD", + "COLLISION_ENERGY 35 (nominal)", + "RESOLUTION 35000" + ], + "AC$CHROMATOGRAPHY": [ + "COLUMN_NAME Kinetex C18 EVO 2.6 um, 2.1x50 mm, precolumn 2.1x5 mm, Phenomenex", + "FLOW_GRADIENT 95/5 at 0 min, 95/5 at 1 min, 0/100 at 13 min, 0/100 at 24 min", + "FLOW_RATE 300 uL/min", + "RETENTION_TIME 12.812 min", + "SOLVENT A water with 0.1% formic acid", + "SOLVENT B methanol with 0.1% formic acid" + ], + "MS$FOCUSED_ION": [ + "BASE_PEAK 220.1117", + "PRECURSOR_M/Z 220.1121", + "PRECURSOR_TYPE [M+H]+" + ], + "MS$DATA_PROCESSING": [ + "RECALIBRATE loess on assigned fragments and MS1", + "REANALYZE Peaks with additional N2/O included", + "WHOLE RMassBank 2.3.1" + ], + "PK$SPLASH": [ + "splash10-00di-0390000000-920aae9c40e5d97a81b3" + ], + "PK$ANNOTATION": [ + "m/z tentative_formula formula_count mass error(ppm)" + ], + "PK$NUM_PEAK": [ + "21" + ], + "PK$PEAK": [ + "m/z int. rel.int." + ] + }, + "limitations": [ + "Source Q Exactive Plus differs from target Exploris120. Fixed MS2 spectrum transfer requires explicit host acceptance.", + "35000 source resolving power is not a selectable Exploris120 resolving-power setting; resampling does not create original resolution.", + "Polarity/adduct and reported nominal NCE are retained, but record35 versus paper stepped20/35/50 remains unresolved; even nominally matching NCE requires explicit source-condition transfer acceptance.", + "Source intensity is not concentration calibration, detector count, current or FT transient.", + "Precursor formula and mass reference are not a certified calibrant assignment; current mass-scale and response require explicit model observations.", + "All MS1 isotope probabilities are theoretical natural-isotope references; no actual ESI response or solvent-specific adduct equilibrium is claimed.", + "A single-peak MS2 record is a valid reference but does not establish a rich structural fragmentation pattern or unique molecular structure." + ] + }, + "sm812904": { + "substance_id": 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No renormalization of retained probabilities. Positive neutral molecule adds fixed CODATA proton; negative molecule loses one natural H atom and gains CODATA electron. Electron/proton binding-energy conventions are molecular mass approximations, not measured MS1 or isotope response.", + "physical_scope": "Derived isotope-composition probabilities, not response/ionization efficiency; instrument-resolved profile is synthetic." + }, + "ms2": { + "mass_to_charge_relative": [ + 111.0231, + 121.0076, + 154.0645, + 180.0678, + 181.0758 + ], + "mass_to_charge_si_kg_c": [ + 1.1506733476841608e-06, + 1.2541553981759279e-06, + 1.5967660241362962e-06, + 1.8662712375723787e-06, + 1.8767184213968766e-06 + ], + "raw_intensity": [ + 372380.6, + 584593.3, + 357700.9, + 511897.1, + 356871392.0 + ], + "raw_intensity_unit": "unspecified instrument intensity, not counts/A/C", + "published_relative_intensity": [ + 1, + 1, + 1, + 1, + 999 + ], + "relative_intensity": [ + 0.0010434588155500007, + 0.0016381063685822147, + 0.0010023243891737895, + 0.0014344021725339082, + 1.0 + ], + "normalization": "all original raw-intensity values divided by their original maximum; full spectrum retained, no mass-domain renormalization", + "relative_intensity_unit": "1", + "evidence": "measured_literature", + "source": "massbank_sm812904", + "annotations_raw": [ + { + "line": 45, + "raw": " 111.0231 C9H3+ 1 111.0229 1.42" + }, + { + "line": 46, + "raw": " 121.0076 C10H+ 1 121.0073 2.6" + }, + { + "line": 47, + "raw": " 154.0645 C11H8N+ 1 154.0651 -4.29" + }, + { + "line": 48, + "raw": " 180.0678 C12H8N2+ 1 180.0682 -2.05" + }, + { + "line": 49, + "raw": " 181.0758 C12H9N2+ 1 181.076 -1" + } + ], + "source_peak_count": 5, + "original_acquisition_type": "processed centroid peak table, loess recalibrated by RMassBank; not unprocessed detector electronics" + }, + "range_40_3000": { + "original_indices": [ + 0, + 1, + 2, + 3, + 4 + ], + "retained_raw_intensity_fraction": 1.0, + "meaning": "Fraction of sums of reported intensities, not analyte yield/ion count/charge/mass" + }, + "source": "massbank_sm812904", + "evidence": "measured_literature", + "source_field_lines": { + "ACCESSION": [ + 1 + ], + "RECORD_TITLE": [ + 2 + ], + "DATE": [ + 3 + ], + "AUTHORS": [ + 4 + ], + "LICENSE": [ + 5 + ], + "COPYRIGHT": [ + 6 + ], + "PUBLICATION": [ + 7 + ], + "COMMENT": [ + 8, + 9 + ], + "CH$NAME": [ + 10 + ], + "CH$COMPOUND_CLASS": [ + 11 + ], + "CH$FORMULA": [ + 12 + ], + "CH$EXACT_MASS": [ + 13 + ], + "CH$SMILES": [ + 14 + ], + "CH$IUPAC": [ + 15 + ], + "CH$LINK": [ + 16, + 17, + 18, + 19, + 20, + 21, + 22 + ], + "AC$INSTRUMENT": [ + 23 + ], + "AC$INSTRUMENT_TYPE": [ + 24 + ], + "AC$MASS_SPECTROMETRY": [ + 25, + 26, + 27, + 28, + 29, + 30 + ], + "AC$CHROMATOGRAPHY": [ + 31, + 32, + 33, + 34, + 35, + 36 + ], + "MS$FOCUSED_ION": [ + 37, + 38, + 39 + ], + "MS$DATA_PROCESSING": [ + 40, + 41, + 42 + ], + "PK$SPLASH": [ + 43 + ], + "PK$ANNOTATION": [ + 44 + ], + "PK$NUM_PEAK": [ + 50 + ], + "PK$PEAK": [ + 51 + ] + }, + "source_headers": { + "ACCESSION": [ + "MSBNK-CASMI_2016-SM812904" + ], + "RECORD_TITLE": [ + "Phenazine; LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M+H]+" + ], + "DATE": [ + "2016.12.12" + ], + "AUTHORS": [ + "Krauss M, Schymanski EL, Weidauer C, Schupke H, UFZ and Eawag" + ], + "LICENSE": [ + "CC BY" + ], + "COPYRIGHT": [ + "Copyright (C) 2016 UFZ/Eawag" + ], + "PUBLICATION": [ + "Schymanski, E. L.; Ruttkies, C.; Krauss, M.; Brouard, C.; Kind, T.; Dührkop, K.; Allen, F.; Vaniya, A.; Verdegem, D.; Böcker, S.; et al. Critical Assessment of Small Molecule Identification 2016: Automated Methods. Journal of Cheminformatics 2017, 9 (1). DOI:10.1186/s13321-017-0207-1" + ], + "COMMENT": [ + "CONFIDENCE standard compound", + "INTERNAL_ID 8129" + ], + "CH$NAME": [ + "Phenazine" + ], + "CH$COMPOUND_CLASS": [ + "N/A; Environmental Standard" + ], + "CH$FORMULA": [ + "C12H8N2" + ], + "CH$EXACT_MASS": [ + "180.06875" + ], + "CH$SMILES": [ + "C1=CC2=NC3=CC=CC=C3N=C2C=C1" + ], + "CH$IUPAC": [ + "InChI=1S/C12H8N2/c1-2-6-10-9(5-1)13-11-7-3-4-8-12(11)14-10/h1-8H" + ], + "CH$LINK": [ + "CAS 92-82-0", + "CHEBI CHEBI:36674", + "PUBCHEM CID:4757", + "INCHIKEY PCNDJXKNXGMECE-UHFFFAOYSA-N", + "CHEMSPIDER 4593", + "COMPTOX DTXSID2059069", + "ChemOnt CHEMONTID:0004789; Organic compounds; Organoheterocyclic compounds; Diazanaphthalenes; Benzodiazines" + ], + "AC$INSTRUMENT": [ + "Q Exactive Plus Orbitrap Thermo Scientific" + ], + "AC$INSTRUMENT_TYPE": [ + "LC-ESI-QFT" + ], + "AC$MASS_SPECTROMETRY": [ + "MS_TYPE MS2", + "ION_MODE POSITIVE", + "IONIZATION ESI", + "FRAGMENTATION_MODE HCD", + "COLLISION_ENERGY 35 (nominal)", + "RESOLUTION 35000" + ], + "AC$CHROMATOGRAPHY": [ + "COLUMN_NAME Kinetex C18 EVO 2.6 um, 2.1x50 mm, precolumn 2.1x5 mm, Phenomenex", + "FLOW_GRADIENT 95/5 at 0 min, 95/5 at 1 min, 0/100 at 13 min, 0/100 at 24 min", + "FLOW_RATE 300 uL/min", + "RETENTION_TIME 10.128 min", + "SOLVENT A water with 0.1% formic acid", + "SOLVENT B methanol with 0.1% formic acid" + ], + "MS$FOCUSED_ION": [ + "BASE_PEAK 181.0757", + "PRECURSOR_M/Z 181.076", + "PRECURSOR_TYPE [M+H]+" + ], + "MS$DATA_PROCESSING": [ + "RECALIBRATE loess on assigned fragments and MS1", + "REANALYZE Peaks with additional N2/O included", + "WHOLE RMassBank 2.3.1" + ], + "PK$SPLASH": [ + "splash10-001i-0900000000-50289093a350922ea293" + ], + "PK$ANNOTATION": [ + "m/z tentative_formula formula_count mass error(ppm)" + ], + "PK$NUM_PEAK": [ + "5" + ], + "PK$PEAK": [ + "m/z int. rel.int." + ] + }, + "limitations": [ + "Source Q Exactive Plus differs from target Exploris120. Fixed MS2 spectrum transfer requires explicit host acceptance.", + "35000 source resolving power is not a selectable Exploris120 resolving-power setting; resampling does not create original resolution.", + "Polarity/adduct and reported nominal NCE are retained, but record35 versus paper stepped20/35/50 remains unresolved; even nominally matching NCE requires explicit source-condition transfer acceptance.", + "Source intensity is not concentration calibration, detector count, current or FT transient.", + "Precursor formula and mass reference are not a certified calibrant assignment; current mass-scale and response require explicit model observations.", + "All MS1 isotope probabilities are theoretical natural-isotope references; no actual ESI response or solvent-specific adduct equilibrium is claimed.", + "A single-peak MS2 record is a valid reference but does not establish a rich structural fragmentation pattern or unique molecular structure." + ] + }, + "sm813501": { + "substance_id": "sm813501", + "accession": "MSBNK-CASMI_2016-SM813501", + "name_en": "Pyridine", + "names": [ + "Pyridine" + ], + "formula": "C5H5N", + "element_counts": { + "C": 5, + "H": 5, + "N": 1 + }, + "inchikey": "JUJWROOIHBZHMG-UHFFFAOYSA-N", + "inchi": "InChI=1S/C5H5N/c1-2-4-6-5-3-1/h1-5H", + "smiles": "C1=CC=NC=C1", + "cas": "110-86-1", + "pubchem_cid": "CID:1049", + "molar_mass_kg_mol": 0.07910008646540093, + "molar_mass_evidence": "derived approximate average from NIST representative isotope composition, not current specimen isotopic mass", + "source_neutral_exact_mass_u": 79.0422, + "neutral_exact_mass_u": 79.04219916558, + "neutral_exact_mass_evidence": "derived from most abundant NIST isotope of each element, source rounded CH$EXACT_MASS retained separately", + "precursor_mz": 80.0495, + "precursor_mz_si_kg_c": 8.296546047213889e-07, + "precursor_mz_evidence": "reported precursor selection/reference setting, not independently available MS1 centroid data", + "derived_precursor_mz": 80.0494756321589, + "precursor_charge": 1, + "precursor_type": "[M+H]+", + "polarity": "positive", + "ionization": "ESI", + "fragmentation_mode": "HCD", + "instrument_type": "LC-ESI-QFT", + "instrument": "Q Exactive Plus Orbitrap Thermo Scientific", + "collision_energy": { + "value": 35.0, + "unit": "NCE", + "fraction": 0.35, + "raw": "35 (nominal)", + "unit_evidence": "RECORD_TITLE explicitly names NCE; 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atomic masses each rounded once to 1e-9 u and exactly summed as integer nano-u during atom convolution; prune probability<1e-10 and cap4096 states after each atom. No renormalization of retained probabilities. Positive neutral molecule adds fixed CODATA proton; negative molecule loses one natural H atom and gains CODATA electron. Electron/proton binding-energy conventions are molecular mass approximations, not measured MS1 or isotope response.", + "physical_scope": "Derived isotope-composition probabilities, not response/ionization efficiency; instrument-resolved profile is synthetic." + }, + "ms2": { + "mass_to_charge_relative": [ + 80.0494, + 96.0443 + ], + "mass_to_charge_si_kg_c": [ + 8.296535682944223e-07, + 9.954290251936927e-07 + ], + "raw_intensity": [ + 309029952.0, + 436354.6 + ], + "raw_intensity_unit": "unspecified instrument intensity, not counts/A/C", + "published_relative_intensity": [ + 999, + 1 + ], + "relative_intensity": [ + 1.0, + 0.0014120139396714528 + ], + "normalization": "all original raw-intensity values divided by their original maximum; full spectrum retained, no mass-domain renormalization", + "relative_intensity_unit": "1", + "evidence": "measured_literature", + "source": "massbank_sm813501", + "annotations_raw": [ + { + "line": 46, + "raw": " 80.0494 C5H6N+ 1 80.0495 -0.66" + }, + { + "line": 47, + "raw": " 96.0443 C5H6NO+ 1 96.0444 -0.57" + } + ], + "source_peak_count": 2, + "original_acquisition_type": "processed centroid peak table, loess recalibrated by RMassBank; not unprocessed detector electronics" + }, + "range_40_3000": { + "original_indices": [ + 0, + 1 + ], + "retained_raw_intensity_fraction": 1.0, + "meaning": "Fraction of sums of reported intensities, not analyte yield/ion count/charge/mass" + }, + "source": "massbank_sm813501", + "evidence": "measured_literature", + "source_field_lines": { + "ACCESSION": [ + 1 + ], + "RECORD_TITLE": [ + 2 + ], + "DATE": [ + 3 + ], + "AUTHORS": [ + 4 + ], + "LICENSE": [ + 5 + ], + "COPYRIGHT": [ + 6 + ], + "PUBLICATION": [ + 7 + ], + "COMMENT": [ + 8, + 9 + ], + "CH$NAME": [ + 10 + ], + "CH$COMPOUND_CLASS": [ + 11 + ], + "CH$FORMULA": [ + 12 + ], + "CH$EXACT_MASS": [ + 13 + ], + "CH$SMILES": [ + 14 + ], + "CH$IUPAC": [ + 15 + ], + "CH$LINK": [ + 16, + 17, + 18, + 19, + 20, + 21, + 22, + 23 + ], + "AC$INSTRUMENT": [ + 24 + ], + "AC$INSTRUMENT_TYPE": [ + 25 + ], + "AC$MASS_SPECTROMETRY": [ + 26, + 27, + 28, + 29, + 30, + 31 + ], + "AC$CHROMATOGRAPHY": [ + 32, + 33, + 34, + 35, + 36, + 37 + ], + "MS$FOCUSED_ION": [ + 38, + 39, + 40 + ], + "MS$DATA_PROCESSING": [ + 41, + 42, + 43 + ], + "PK$SPLASH": [ + 44 + ], + "PK$ANNOTATION": [ + 45 + ], + "PK$NUM_PEAK": [ + 48 + ], + "PK$PEAK": [ + 49 + ] + }, + "source_headers": { + "ACCESSION": [ + "MSBNK-CASMI_2016-SM813501" + ], + "RECORD_TITLE": [ + "Pyridine; LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M+H]+" + ], + "DATE": [ + "2016.12.12" + ], + "AUTHORS": [ + "Krauss M, Schymanski EL, Weidauer C, Schupke H, UFZ and Eawag" + ], + "LICENSE": [ + "CC BY" + ], + "COPYRIGHT": [ + "Copyright (C) 2016 UFZ/Eawag" + ], + "PUBLICATION": [ + "Schymanski, E. L.; Ruttkies, C.; Krauss, M.; Brouard, C.; Kind, T.; Dührkop, K.; Allen, F.; Vaniya, A.; Verdegem, D.; Böcker, S.; et al. Critical Assessment of Small Molecule Identification 2016: Automated Methods. Journal of Cheminformatics 2017, 9 (1). DOI:10.1186/s13321-017-0207-1" + ], + "COMMENT": [ + "CONFIDENCE standard compound", + "INTERNAL_ID 8135" + ], + "CH$NAME": [ + "Pyridine" + ], + "CH$COMPOUND_CLASS": [ + "N/A; Environmental Standard" + ], + "CH$FORMULA": [ + "C5H5N" + ], + "CH$EXACT_MASS": [ + "79.04220" + ], + "CH$SMILES": [ + "C1=CC=NC=C1" + ], + "CH$IUPAC": [ + "InChI=1S/C5H5N/c1-2-4-6-5-3-1/h1-5H" + ], + "CH$LINK": [ + "CAS 110-86-1", + "CHEBI CHEBI:16227", + "KEGG C00747", + "PUBCHEM CID:1049", + "INCHIKEY JUJWROOIHBZHMG-UHFFFAOYSA-N", + "CHEMSPIDER 1020", + "COMPTOX DTXSID9021924", + "ChemOnt CHEMONTID:0000089; Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives" + ], + "AC$INSTRUMENT": [ + "Q Exactive Plus Orbitrap Thermo Scientific" + ], + "AC$INSTRUMENT_TYPE": [ + "LC-ESI-QFT" + ], + "AC$MASS_SPECTROMETRY": [ + "MS_TYPE MS2", + "ION_MODE POSITIVE", + "IONIZATION ESI", + "FRAGMENTATION_MODE HCD", + "COLLISION_ENERGY 35 (nominal)", + "RESOLUTION 35000" + ], + "AC$CHROMATOGRAPHY": [ + "COLUMN_NAME Kinetex C18 EVO 2.6 um, 2.1x50 mm, precolumn 2.1x5 mm, Phenomenex", + "FLOW_GRADIENT 95/5 at 0 min, 95/5 at 1 min, 0/100 at 13 min, 0/100 at 24 min", + "FLOW_RATE 300 uL/min", + "RETENTION_TIME 0.438 min", + "SOLVENT A water with 0.1% formic acid", + "SOLVENT B methanol with 0.1% formic acid" + ], + "MS$FOCUSED_ION": [ + "BASE_PEAK 145.0758", + "PRECURSOR_M/Z 80.0495", + "PRECURSOR_TYPE [M+H]+" + ], + "MS$DATA_PROCESSING": [ + "RECALIBRATE loess on assigned fragments and MS1", + "REANALYZE Peaks with additional N2/O included", + "WHOLE RMassBank 2.3.1" + ], + "PK$SPLASH": [ + "splash10-001i-9000000000-2e20e7f7bd046f0fcbbf" + ], + "PK$ANNOTATION": [ + "m/z tentative_formula formula_count mass error(ppm)" + ], + "PK$NUM_PEAK": [ + "2" + ], + "PK$PEAK": [ + "m/z int. rel.int." + ] + }, + "limitations": [ + "Source Q Exactive Plus differs from target Exploris120. Fixed MS2 spectrum transfer requires explicit host acceptance.", + "35000 source resolving power is not a selectable Exploris120 resolving-power setting; resampling does not create original resolution.", + "Polarity/adduct and reported nominal NCE are retained, but record35 versus paper stepped20/35/50 remains unresolved; even nominally matching NCE requires explicit source-condition transfer acceptance.", + "Source intensity is not concentration calibration, detector count, current or FT transient.", + "Precursor formula and mass reference are not a certified calibrant assignment; current mass-scale and response require explicit model observations.", + "All MS1 isotope probabilities are theoretical natural-isotope references; no actual ESI response or solvent-specific adduct equilibrium is claimed.", + "A single-peak MS2 record is a valid reference but does not establish a rich structural fragmentation pattern or unique molecular structure." + ] + }, + "sm813751": { + "substance_id": "sm813751", + "accession": "MSBNK-CASMI_2016-SM813751", + "name_en": "2,4,6-Trichlorphenol", + "names": [ + "2,4,6-Trichlorphenol" + ], + "formula": "C6H3Cl3O", + "element_counts": { + "C": 6, + "H": 3, + "Cl": 3, + "O": 1 + }, + "inchikey": "LINPIYWFGCPVIE-UHFFFAOYSA-N", + "inchi": "InChI=1S/C6H3Cl3O/c7-3-1-4(8)6(10)5(9)2-3/h1-2,10H", + "smiles": "OC1=C(Cl)C=C(Cl)C=C1Cl", + "cas": "88-06-2", + "pubchem_cid": "CID:6914", + "molar_mass_kg_mol": 0.1974464553147211, + "molar_mass_evidence": "derived approximate average from NIST representative isotope composition, not current specimen isotopic mass", + "source_neutral_exact_mass_u": 195.92495, + "neutral_exact_mass_u": 195.92494776226, + "neutral_exact_mass_evidence": "derived from most abundant NIST isotope of each element, source rounded CH$EXACT_MASS retained separately", + "precursor_mz": 194.9177, + "precursor_mz_si_kg_c": 2.0201796057027495e-06, + "precursor_mz_evidence": "reported precursor selection/reference setting, not 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each rounded once to 1e-9 u and exactly summed as integer nano-u during atom convolution; prune probability<1e-10 and cap4096 states after each atom. No renormalization of retained probabilities. Positive neutral molecule adds fixed CODATA proton; negative molecule loses one natural H atom and gains CODATA electron. Electron/proton binding-energy conventions are molecular mass approximations, not measured MS1 or isotope response.", + "physical_scope": "Derived isotope-composition probabilities, not response/ionization efficiency; instrument-resolved profile is synthetic." + }, + "ms2": { + "mass_to_charge_relative": [ + 158.9412, + 194.9178 + ], + "mass_to_charge_si_kg_c": [ + 1.6473094580221392e-06, + 2.0201806421297168e-06 + ], + "raw_intensity": [ + 16339.0, + 1611304.4 + ], + "raw_intensity_unit": "unspecified instrument intensity, not counts/A/C", + "published_relative_intensity": [ + 10, + 999 + ], + "relative_intensity": [ + 0.010140231727785266, + 1.0 + ], + "normalization": "all original raw-intensity values divided by their original maximum; full spectrum retained, no mass-domain renormalization", + "relative_intensity_unit": "1", + "evidence": "measured_literature", + "source": "massbank_sm813751", + "annotations_raw": [ + { + "line": 46, + "raw": " 158.9412 C6HCl2O- 1 158.941 1.1" + }, + { + "line": 47, + "raw": " 194.9178 C6H2Cl3O- 1 194.9177 0.47" + } + ], + "source_peak_count": 2, + "original_acquisition_type": "processed centroid peak table, loess recalibrated by RMassBank; not unprocessed detector electronics" + }, + "range_40_3000": { + "original_indices": [ + 0, + 1 + ], + "retained_raw_intensity_fraction": 1.0, + "meaning": "Fraction of sums of reported intensities, not analyte yield/ion count/charge/mass" + }, + "source": "massbank_sm813751", + "evidence": "measured_literature", + "source_field_lines": { + "ACCESSION": [ + 1 + ], + "RECORD_TITLE": [ + 2 + ], + "DATE": [ + 3 + ], + "AUTHORS": [ + 4 + ], + "LICENSE": [ + 5 + ], + "COPYRIGHT": [ + 6 + ], + "PUBLICATION": [ + 7 + ], + "COMMENT": [ + 8, + 9 + ], + "CH$NAME": [ + 10 + ], + "CH$COMPOUND_CLASS": [ + 11 + ], + "CH$FORMULA": [ + 12 + ], + "CH$EXACT_MASS": [ + 13 + ], + "CH$SMILES": [ + 14 + ], + "CH$IUPAC": [ + 15 + ], + "CH$LINK": [ + 16, + 17, + 18, + 19, + 20, + 21, + 22, + 23 + ], + "AC$INSTRUMENT": [ + 24 + ], + "AC$INSTRUMENT_TYPE": [ + 25 + ], + "AC$MASS_SPECTROMETRY": [ + 26, + 27, + 28, + 29, + 30, + 31 + ], + "AC$CHROMATOGRAPHY": [ + 32, + 33, + 34, + 35, + 36, + 37 + ], + "MS$FOCUSED_ION": [ + 38, + 39, + 40 + ], + "MS$DATA_PROCESSING": [ + 41, + 42, + 43 + ], + "PK$SPLASH": [ + 44 + ], + "PK$ANNOTATION": [ + 45 + ], + "PK$NUM_PEAK": [ + 48 + ], + "PK$PEAK": [ + 49 + ] + }, + "source_headers": { + "ACCESSION": [ + "MSBNK-CASMI_2016-SM813751" + ], + "RECORD_TITLE": [ + "2,4,6-Trichlorphenol; LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M-H]-" + ], + "DATE": [ + "2016.12.12" + ], + "AUTHORS": [ + "Krauss M, Schymanski EL, Weidauer C, Schupke H, UFZ and Eawag" + ], + "LICENSE": [ + "CC BY" + ], + "COPYRIGHT": [ + "Copyright (C) 2016 UFZ/Eawag" + ], + "PUBLICATION": [ + "Schymanski, E. L.; Ruttkies, C.; Krauss, M.; Brouard, C.; Kind, T.; Dührkop, K.; Allen, F.; Vaniya, A.; Verdegem, D.; Böcker, S.; et al. Critical Assessment of Small Molecule Identification 2016: Automated Methods. Journal of Cheminformatics 2017, 9 (1). DOI:10.1186/s13321-017-0207-1" + ], + "COMMENT": [ + "CONFIDENCE Reference Standard (Level 1)", + "INTERNAL_ID 8137" + ], + "CH$NAME": [ + "2,4,6-Trichlorphenol" + ], + "CH$COMPOUND_CLASS": [ + "N/A; Environmental Standard" + ], + "CH$FORMULA": [ + "C6H3Cl3O" + ], + "CH$EXACT_MASS": [ + "195.92495" + ], + "CH$SMILES": [ + "OC1=C(Cl)C=C(Cl)C=C1Cl" + ], + "CH$IUPAC": [ + "InChI=1S/C6H3Cl3O/c7-3-1-4(8)6(10)5(9)2-3/h1-2,10H" + ], + "CH$LINK": [ + "CAS 88-06-2", + "CHEBI CHEBI:28755", + "KEGG C07098", + "PUBCHEM CID:6914", + "INCHIKEY LINPIYWFGCPVIE-UHFFFAOYSA-N", + "CHEMSPIDER 21106172", + "COMPTOX DTXSID5021386", + "ChemOnt CHEMONTID:0002320; Organic compounds; Benzenoids; Phenols; Halophenols" + ], + "AC$INSTRUMENT": [ + "Q Exactive Plus Orbitrap Thermo Scientific" + ], + "AC$INSTRUMENT_TYPE": [ + "LC-ESI-QFT" + ], + "AC$MASS_SPECTROMETRY": [ + "MS_TYPE MS2", + "ION_MODE NEGATIVE", + "IONIZATION ESI", + "FRAGMENTATION_MODE HCD", + "COLLISION_ENERGY 35 (nominal)", + "RESOLUTION 35000" + ], + "AC$CHROMATOGRAPHY": [ + "COLUMN_NAME Kinetex C18 EVO 2.6 um, 2.1x50 mm, precolumn 2.1x5 mm, Phenomenex", + "FLOW_GRADIENT 95/5 at 0 min, 95/5 at 1 min, 0/100 at 13 min, 0/100 at 24 min", + "FLOW_RATE 300 uL/min", + "RETENTION_TIME 11.251 min", + "SOLVENT A water with 0.1% formic acid", + "SOLVENT B methanol with 0.1% formic acid" + ], + "MS$FOCUSED_ION": [ + "BASE_PEAK 91.0022", + "PRECURSOR_M/Z 194.9177", + "PRECURSOR_TYPE [M-H]-" + ], + "MS$DATA_PROCESSING": [ + "RECALIBRATE loess on assigned fragments and MS1", + "REANALYZE Peaks with additional N2/O included", + "WHOLE RMassBank 2.3.1" + ], + "PK$SPLASH": [ + "splash10-0006-0900000000-c500697fa570a7080677" + ], + "PK$ANNOTATION": [ + "m/z tentative_formula formula_count mass error(ppm)" + ], + "PK$NUM_PEAK": [ + "2" + ], + "PK$PEAK": [ + "m/z int. rel.int." + ] + }, + "limitations": [ + "Source Q Exactive Plus differs from target Exploris120. Fixed MS2 spectrum transfer requires explicit host acceptance.", + "35000 source resolving power is not a selectable Exploris120 resolving-power setting; resampling does not create original resolution.", + "Polarity/adduct and reported nominal NCE are retained, but record35 versus paper stepped20/35/50 remains unresolved; even nominally matching NCE requires explicit source-condition transfer acceptance.", + "Source intensity is not concentration calibration, detector count, current or FT transient.", + "Precursor formula and mass reference are not a certified calibrant assignment; current mass-scale and response require explicit model observations.", + "All MS1 isotope probabilities are theoretical natural-isotope references; no actual ESI response or solvent-specific adduct equilibrium is claimed.", + "A single-peak MS2 record is a valid reference but does not establish a rich structural fragmentation pattern or unique molecular structure." + ] + }, + "sm814053": { + "substance_id": "sm814053", + "accession": "MSBNK-CASMI_2016-SM814053", + "name_en": "2-Benzyl-4-chlorophenol", + "names": [ + "2-Benzyl-4-chlorophenol" + ], + "formula": "C13H11ClO", + "element_counts": { + "C": 13, + "H": 11, + "Cl": 1, + "O": 1 + }, + "inchikey": "NCKMMSIFQUPKCK-UHFFFAOYSA-N", + "inchi": "InChI=1S/C13H11ClO/c14-12-6-7-13(15)11(9-12)8-10-4-2-1-3-5-10/h1-7,9,15H,8H2", + "smiles": "OC1=C(CC2=CC=CC=C2)C=C(Cl)C=C1", + "cas": "120-32-1", + "pubchem_cid": "CID:8425", + "molar_mass_kg_mol": 0.21867925745909805, + "molar_mass_evidence": "derived approximate average from NIST representative isotope composition, not current specimen isotopic mass", + "source_neutral_exact_mass_u": 218.0498, + "neutral_exact_mass_u": 218.0498426561, + "neutral_exact_mass_evidence": "derived from most abundant NIST isotope of each element, source rounded CH$EXACT_MASS retained separately", + "precursor_mz": 217.0426, + "precursor_mz_si_kg_c": 2.249488035661716e-06, + "precursor_mz_evidence": "reported precursor 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No renormalization of retained probabilities. Positive neutral molecule adds fixed CODATA proton; negative molecule loses one natural H atom and gains CODATA electron. Electron/proton binding-energy conventions are molecular mass approximations, not measured MS1 or isotope response.", + "physical_scope": "Derived isotope-composition probabilities, not response/ionization efficiency; instrument-resolved profile is synthetic." + }, + "ms2": { + "mass_to_charge_relative": [ + 181.0661, + 217.0427 + ], + "mass_to_charge_si_kg_c": [ + 1.8766178879811053e-06, + 2.2494890720886826e-06 + ], + "raw_intensity": [ + 10323.7, + 796872.9 + ], + "raw_intensity_unit": "unspecified instrument intensity, not counts/A/C", + "published_relative_intensity": [ + 12, + 999 + ], + "relative_intensity": [ + 0.01295526551348402, + 1.0 + ], + "normalization": "all original raw-intensity values divided by their original maximum; full spectrum retained, no mass-domain renormalization", + "relative_intensity_unit": "1", + "evidence": "measured_literature", + "source": "massbank_sm814053", + "annotations_raw": [ + { + "line": 45, + "raw": " 181.0661 C13H9O- 1 181.0659 1.17" + }, + { + "line": 46, + "raw": " 217.0427 C13H10ClO- 1 217.0426 0.54" + } + ], + "source_peak_count": 2, + "original_acquisition_type": "processed centroid peak table, loess recalibrated by RMassBank; not unprocessed detector electronics" + }, + "range_40_3000": { + "original_indices": [ + 0, + 1 + ], + "retained_raw_intensity_fraction": 1.0, + "meaning": "Fraction of sums of reported intensities, not analyte yield/ion count/charge/mass" + }, + "source": "massbank_sm814053", + "evidence": "measured_literature", + "source_field_lines": { + "ACCESSION": [ + 1 + ], + "RECORD_TITLE": [ + 2 + ], + "DATE": [ + 3 + ], + "AUTHORS": [ + 4 + ], + "LICENSE": [ + 5 + ], + "COPYRIGHT": [ + 6 + ], + "PUBLICATION": [ + 7 + ], + "COMMENT": [ + 8, + 9 + ], + "CH$NAME": [ + 10 + ], + "CH$COMPOUND_CLASS": [ + 11 + ], + "CH$FORMULA": [ + 12 + ], + "CH$EXACT_MASS": [ + 13 + ], + "CH$SMILES": [ + 14 + ], + "CH$IUPAC": [ + 15 + ], + "CH$LINK": [ + 16, + 17, + 18, + 19, + 20, + 21, + 22 + ], + "AC$INSTRUMENT": [ + 23 + ], + "AC$INSTRUMENT_TYPE": [ + 24 + ], + "AC$MASS_SPECTROMETRY": [ + 25, + 26, + 27, + 28, + 29, + 30 + ], + "AC$CHROMATOGRAPHY": [ + 31, + 32, + 33, + 34, + 35, + 36 + ], + "MS$FOCUSED_ION": [ + 37, + 38, + 39 + ], + "MS$DATA_PROCESSING": [ + 40, + 41, + 42 + ], + "PK$SPLASH": [ + 43 + ], + "PK$ANNOTATION": [ + 44 + ], + "PK$NUM_PEAK": [ + 47 + ], + "PK$PEAK": [ + 48 + ] + }, + "source_headers": { + "ACCESSION": [ + "MSBNK-CASMI_2016-SM814053" + ], + "RECORD_TITLE": [ + "2-Benzyl-4-chlorophenol; LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M-H]-" + ], + "DATE": [ + "2016.12.12" + ], + "AUTHORS": [ + "Krauss M, Schymanski EL, Weidauer C, Schupke H, UFZ and Eawag" + ], + "LICENSE": [ + "CC BY" + ], + "COPYRIGHT": [ + "Copyright (C) 2016 UFZ/Eawag" + ], + "PUBLICATION": [ + "Schymanski, E. L.; Ruttkies, C.; Krauss, M.; Brouard, C.; Kind, T.; Dührkop, K.; Allen, F.; Vaniya, A.; Verdegem, D.; Böcker, S.; et al. Critical Assessment of Small Molecule Identification 2016: Automated Methods. Journal of Cheminformatics 2017, 9 (1). DOI:10.1186/s13321-017-0207-1" + ], + "COMMENT": [ + "CONFIDENCE standard compound", + "INTERNAL_ID 8140" + ], + "CH$NAME": [ + "2-Benzyl-4-chlorophenol" + ], + "CH$COMPOUND_CLASS": [ + "N/A; Environmental Standard" + ], + "CH$FORMULA": [ + "C13H11ClO" + ], + "CH$EXACT_MASS": [ + "218.0498" + ], + "CH$SMILES": [ + "OC1=C(CC2=CC=CC=C2)C=C(Cl)C=C1" + ], + "CH$IUPAC": [ + "InChI=1S/C13H11ClO/c14-12-6-7-13(15)11(9-12)8-10-4-2-1-3-5-10/h1-7,9,15H,8H2" + ], + "CH$LINK": [ + "CAS 120-32-1", + "KEGG D03564", + "PUBCHEM CID:8425", + "INCHIKEY NCKMMSIFQUPKCK-UHFFFAOYSA-N", + "CHEMSPIDER 8118", + "COMPTOX DTXSID5020154", + "ChemOnt CHEMONTID:0000369; Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylmethanes" + ], + "AC$INSTRUMENT": [ + "Q Exactive Plus Orbitrap Thermo Scientific" + ], + "AC$INSTRUMENT_TYPE": [ + "LC-ESI-QFT" + ], + "AC$MASS_SPECTROMETRY": [ + "MS_TYPE MS2", + "ION_MODE NEGATIVE", + "IONIZATION ESI", + "FRAGMENTATION_MODE HCD", + "COLLISION_ENERGY 35 (nominal)", + "RESOLUTION 35000" + ], + "AC$CHROMATOGRAPHY": [ + "COLUMN_NAME Kinetex C18 EVO 2.6 um, 2.1x50 mm, precolumn 2.1x5 mm, Phenomenex", + "FLOW_GRADIENT 95/5 at 0 min, 95/5 at 1 min, 0/100 at 13 min, 0/100 at 24 min", + "FLOW_RATE 300 uL/min", + "RETENTION_TIME 12.256 min", + "SOLVENT A water with 0.1% formic acid", + "SOLVENT B methanol with 0.1% formic acid" + ], + "MS$FOCUSED_ION": [ + "BASE_PEAK 91.0022", + "PRECURSOR_M/Z 217.0426", + "PRECURSOR_TYPE [M-H]-" + ], + "MS$DATA_PROCESSING": [ + "RECALIBRATE loess on assigned fragments and MS1", + "REANALYZE Peaks with additional N2/O included", + "WHOLE RMassBank 2.3.1" + ], + "PK$SPLASH": [ + "splash10-014i-0090000000-59e3da96a08b61317bd0" + ], + "PK$ANNOTATION": [ + "m/z tentative_formula formula_count mass error(ppm)" + ], + "PK$NUM_PEAK": [ + "2" + ], + "PK$PEAK": [ + "m/z int. rel.int." + ] + }, + "limitations": [ + "Source Q Exactive Plus differs from target Exploris120. Fixed MS2 spectrum transfer requires explicit host acceptance.", + "35000 source resolving power is not a selectable Exploris120 resolving-power setting; resampling does not create original resolution.", + "Polarity/adduct and reported nominal NCE are retained, but record35 versus paper stepped20/35/50 remains unresolved; even nominally matching NCE requires explicit source-condition transfer acceptance.", + "Source intensity is not concentration calibration, detector count, current or FT transient.", + "Precursor formula and mass reference are not a certified calibrant assignment; current mass-scale and response require explicit model observations.", + "All MS1 isotope probabilities are theoretical natural-isotope references; no actual ESI response or solvent-specific adduct equilibrium is claimed.", + "A single-peak MS2 record is a valid reference but does not establish a rich structural fragmentation pattern or unique molecular structure." + ] + }, + "sm814103": { + "substance_id": "sm814103", + "accession": "MSBNK-CASMI_2016-SM814103", + "name_en": "Octocrylene", + "names": [ + "Octocrylene", + "2-Ethylhexyl 2-cyano-3,3-diphenylprop-2-enoate", + "2-Ethylhexyl 2-cyano-3,3-diphenylacrylate" + ], + "formula": "C24H27NO2", + "element_counts": { + "C": 24, + "H": 27, + "N": 1, + "O": 2 + }, + "inchikey": "FMJSMJQBSVNSBF-UHFFFAOYSA-N", + "inchi": "InChI=1S/C24H27NO2/c1-3-5-12-19(4-2)18-27-24(26)22(17-25)23(20-13-8-6-9-14-20)21-15-10-7-11-16-21/h6-11,13-16,19H,3-5,12,18H2,1-2H3", + "smiles": "CCCCC(CC)COC(=O)C(C#N)=C(C1=CC=CC=C1)C1=CC=CC=C1", + "cas": "6197-30-4", + "pubchem_cid": "CID:22571", + "molar_mass_kg_mol": 0.36147757494123434, + "molar_mass_evidence": "derived approximate average from NIST representative isotope composition, not current specimen isotopic mass", + "source_neutral_exact_mass_u": 361.20418, + "neutral_exact_mass_u": 361.20417911378, + "neutral_exact_mass_evidence": "derived from most abundant NIST isotope of each element, source rounded 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LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M+H]+" + ], + "DATE": [ + "2016.12.12" + ], + "AUTHORS": [ + "Krauss M, Schymanski EL, Weidauer C, Schupke H, UFZ and Eawag" + ], + "LICENSE": [ + "CC BY" + ], + "COPYRIGHT": [ + "Copyright (C) 2016 UFZ/Eawag" + ], + "PUBLICATION": [ + "Schymanski, E. L.; Ruttkies, C.; Krauss, M.; Brouard, C.; Kind, T.; Dührkop, K.; Allen, F.; Vaniya, A.; Verdegem, D.; Böcker, S.; et al. Critical Assessment of Small Molecule Identification 2016: Automated Methods. Journal of Cheminformatics 2017, 9 (1). DOI:10.1186/s13321-017-0207-1" + ], + "COMMENT": [ + "CONFIDENCE standard compound", + "INTERNAL_ID 8141" + ], + "CH$NAME": [ + "Octocrylene", + "2-Ethylhexyl 2-cyano-3,3-diphenylprop-2-enoate", + "2-Ethylhexyl 2-cyano-3,3-diphenylacrylate" + ], + "CH$COMPOUND_CLASS": [ + "N/A; Environmental Standard" + ], + "CH$FORMULA": [ + "C24H27NO2" + ], + "CH$EXACT_MASS": [ + "361.20418" + ], + "CH$SMILES": [ + "CCCCC(CC)COC(=O)C(C#N)=C(C1=CC=CC=C1)C1=CC=CC=C1" + ], + "CH$IUPAC": [ + "InChI=1S/C24H27NO2/c1-3-5-12-19(4-2)18-27-24(26)22(17-25)23(20-13-8-6-9-14-20)21-15-10-7-11-16-21/h6-11,13-16,19H,3-5,12,18H2,1-2H3" + ], + "CH$LINK": [ + "CAS 6197-30-4", + "KEGG D05227", + "PUBCHEM CID:22571", + "INCHIKEY FMJSMJQBSVNSBF-UHFFFAOYSA-N", + "CHEMSPIDER 21165", + "COMPTOX DTXSID9025299", + "ChemOnt CHEMONTID:0000369; Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylmethanes" + ], + "AC$INSTRUMENT": [ + "Q Exactive Plus Orbitrap Thermo Scientific" + ], + "AC$INSTRUMENT_TYPE": [ + "LC-ESI-QFT" + ], + "AC$MASS_SPECTROMETRY": [ + "MS_TYPE MS2", + "ION_MODE POSITIVE", + "IONIZATION ESI", + "FRAGMENTATION_MODE HCD", + "COLLISION_ENERGY 35 (nominal)", + "RESOLUTION 35000" + ], + "AC$CHROMATOGRAPHY": [ + "COLUMN_NAME Kinetex C18 EVO 2.6 um, 2.1x50 mm, precolumn 2.1x5 mm, Phenomenex", + "FLOW_GRADIENT 95/5 at 0 min, 95/5 at 1 min, 0/100 at 13 min, 0/100 at 24 min", + "FLOW_RATE 300 uL/min", + "RETENTION_TIME 14.495 min", + "SOLVENT A water with 0.1% formic acid", + "SOLVENT B methanol with 0.1% formic acid" + ], + "MS$FOCUSED_ION": [ + "BASE_PEAK 65.0597", + "PRECURSOR_M/Z 362.2115", + "PRECURSOR_TYPE [M+H]+" + ], + "MS$DATA_PROCESSING": [ + "RECALIBRATE loess on assigned fragments and MS1", + "REANALYZE Peaks with additional N2/O included", + "WHOLE RMassBank 2.3.1" + ], + "PK$SPLASH": [ + "splash10-0ue9-0190000000-e42021d0c1eafd0287f1" + ], + "PK$ANNOTATION": [ + "m/z tentative_formula formula_count mass error(ppm)" + ], + "PK$NUM_PEAK": [ + "37" + ], + "PK$PEAK": [ + "m/z int. rel.int." + ] + }, + "limitations": [ + "Source Q Exactive Plus differs from target Exploris120. Fixed MS2 spectrum transfer requires explicit host acceptance.", + "35000 source resolving power is not a selectable Exploris120 resolving-power setting; resampling does not create original resolution.", + "Polarity/adduct and reported nominal NCE are retained, but record35 versus paper stepped20/35/50 remains unresolved; even nominally matching NCE requires explicit source-condition transfer acceptance.", + "Source intensity is not concentration calibration, detector count, current or FT transient.", + "Precursor formula and mass reference are not a certified calibrant assignment; current mass-scale and response require explicit model observations.", + "All MS1 isotope probabilities are theoretical natural-isotope references; no actual ESI response or solvent-specific adduct equilibrium is claimed.", + "A single-peak MS2 record is a valid reference but does not establish a rich structural fragmentation pattern or unique molecular structure." + ] + }, + "sm814303": { + "substance_id": "sm814303", + "accession": "MSBNK-CASMI_2016-SM814303", + "name_en": "Oxybenzone", + "names": [ + "Oxybenzone", + "2-hydroxy-4-methoxy-benzophenone", + "(2-hydroxy-4-methoxyphenyl)-phenylmethanone" + ], + "formula": "C14H12O3", + "element_counts": { + "C": 14, + "H": 12, + "O": 3 + }, + "inchikey": "DXGLGDHPHMLXJC-UHFFFAOYSA-N", + "inchi": "InChI=1S/C14H12O3/c1-17-11-7-8-12(13(15)9-11)14(16)10-5-3-2-4-6-10/h2-9,15H,1H3", + "smiles": "COC1=CC(O)=C(C=C1)C(=O)C1=CC=CC=C1", + "cas": "131-57-7", + "pubchem_cid": "CID:4632", + "molar_mass_kg_mol": 0.22824380637591765, + "molar_mass_evidence": "derived approximate average from NIST representative isotope composition, not current specimen isotopic mass", + "source_neutral_exact_mass_u": 228.07864, + "neutral_exact_mass_u": 228.07864424547, + "neutral_exact_mass_evidence": "derived from most abundant NIST isotope of each element, source rounded CH$EXACT_MASS retained separately", + "precursor_mz": 229.0859, + "precursor_mz_si_kg_c": 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No renormalization of retained probabilities. Positive neutral molecule adds fixed CODATA proton; negative molecule loses one natural H atom and gains CODATA electron. 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L.; Ruttkies, C.; Krauss, M.; Brouard, C.; Kind, T.; Dührkop, K.; Allen, F.; Vaniya, A.; Verdegem, D.; Böcker, S.; et al. Critical Assessment of Small Molecule Identification 2016: Automated Methods. Journal of Cheminformatics 2017, 9 (1). DOI:10.1186/s13321-017-0207-1" + ], + "COMMENT": [ + "CONFIDENCE standard compound", + "INTERNAL_ID 8143" + ], + "CH$NAME": [ + "Oxybenzone", + "2-hydroxy-4-methoxy-benzophenone", + "(2-hydroxy-4-methoxyphenyl)-phenylmethanone" + ], + "CH$COMPOUND_CLASS": [ + "N/A; Environmental Standard" + ], + "CH$FORMULA": [ + "C14H12O3" + ], + "CH$EXACT_MASS": [ + "228.07864" + ], + "CH$SMILES": [ + "COC1=CC(O)=C(C=C1)C(=O)C1=CC=CC=C1" + ], + "CH$IUPAC": [ + "InChI=1S/C14H12O3/c1-17-11-7-8-12(13(15)9-11)14(16)10-5-3-2-4-6-10/h2-9,15H,1H3" + ], + "CH$LINK": [ + "CAS 131-57-7", + "CHEBI CHEBI:34283", + "KEGG D05309", + "PUBCHEM CID:4632", + "INCHIKEY DXGLGDHPHMLXJC-UHFFFAOYSA-N", + "CHEMSPIDER 4471", + "COMPTOX DTXSID3022405", + "ChemOnt CHEMONTID:0000120; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzophenones" + ], + "AC$INSTRUMENT": [ + "Q Exactive Plus Orbitrap Thermo Scientific" + ], + "AC$INSTRUMENT_TYPE": [ + "LC-ESI-QFT" + ], + "AC$MASS_SPECTROMETRY": [ + "MS_TYPE MS2", + "ION_MODE POSITIVE", + "IONIZATION ESI", + "FRAGMENTATION_MODE HCD", + "COLLISION_ENERGY 35 (nominal)", + "RESOLUTION 35000" + ], + "AC$CHROMATOGRAPHY": [ + "COLUMN_NAME Kinetex C18 EVO 2.6 um, 2.1x50 mm, precolumn 2.1x5 mm, Phenomenex", + "FLOW_GRADIENT 95/5 at 0 min, 95/5 at 1 min, 0/100 at 13 min, 0/100 at 24 min", + "FLOW_RATE 300 uL/min", + "RETENTION_TIME 11.968 min", + "SOLVENT A water with 0.1% formic acid", + "SOLVENT B methanol with 0.1% formic acid" + ], + "MS$FOCUSED_ION": [ + "BASE_PEAK 65.0597", + "PRECURSOR_M/Z 229.0859", + "PRECURSOR_TYPE [M+H]+" + ], + "MS$DATA_PROCESSING": [ + "RECALIBRATE loess on assigned fragments and MS1", + "REANALYZE Peaks with additional N2/O included", + "WHOLE RMassBank 2.3.1" + ], + "PK$SPLASH": [ + "splash10-0ufr-0940000000-2a55f01ddfa3b0ff8f42" + ], + "PK$ANNOTATION": [ + "m/z tentative_formula formula_count mass error(ppm)" + ], + "PK$NUM_PEAK": [ + "14" + ], + "PK$PEAK": [ + "m/z int. rel.int." + ] + }, + "limitations": [ + "Source Q Exactive Plus differs from target Exploris120. Fixed MS2 spectrum transfer requires explicit host acceptance.", + "35000 source resolving power is not a selectable Exploris120 resolving-power setting; resampling does not create original resolution.", + "Polarity/adduct and reported nominal NCE are retained, but record35 versus paper stepped20/35/50 remains unresolved; even nominally matching NCE requires explicit source-condition transfer acceptance.", + "Source intensity is not concentration calibration, detector count, current or FT transient.", + "Precursor formula and mass reference are not a certified calibrant assignment; current mass-scale and response require explicit model observations.", + "All MS1 isotope probabilities are theoretical natural-isotope references; no actual ESI response or solvent-specific adduct equilibrium is claimed.", + "A single-peak MS2 record is a valid reference but does not establish a rich structural fragmentation pattern or unique molecular structure." + ] + }, + "sm814453": { + "substance_id": "sm814453", + "accession": "MSBNK-CASMI_2016-SM814453", + "name_en": "2-Hydroxyanthraquinone", + "names": [ + "2-Hydroxyanthraquinone", + "2-Hydroxyanthrachinon", + "2-hydroxyanthracene-9,10-dione" + ], + "formula": "C14H8O3", + "element_counts": { + "C": 14, + "H": 8, + "O": 3 + }, + "inchikey": "GCDBEYOJCZLKMC-UHFFFAOYSA-N", + "inchi": "InChI=1S/C14H8O3/c15-8-5-6-11-12(7-8)14(17)10-4-2-1-3-9(10)13(11)16/h1-7,15H", + "smiles": "OC1=CC2=C(C=C1)C(=O)C1=CC=CC=C1C2=O", + "cas": "605-32-3", + "pubchem_cid": "CID:11796", + "molar_mass_kg_mol": 0.22421204335969455, + "molar_mass_evidence": "derived approximate average from NIST representative isotope composition, not current specimen isotopic mass", + "source_neutral_exact_mass_u": 224.04734, + "neutral_exact_mass_u": 224.04734411655, + "neutral_exact_mass_evidence": "derived from most abundant NIST isotope of each element, source rounded CH$EXACT_MASS retained separately", + "precursor_mz": 223.0401, + "precursor_mz_si_kg_c": 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No renormalization of retained probabilities. Positive neutral molecule adds fixed CODATA proton; negative molecule loses one natural H atom and gains CODATA electron. Electron/proton binding-energy conventions are molecular mass approximations, not measured MS1 or isotope response.", + "physical_scope": "Derived isotope-composition probabilities, not response/ionization efficiency; instrument-resolved profile is synthetic." + }, + "ms2": { + "mass_to_charge_relative": [ + 195.0451, + 223.04 + ], + "mass_to_charge_si_kg_c": [ + 2.021500013658346e-06, + 2.311646706563546e-06 + ], + "raw_intensity": [ + 1755708.4, + 29465858.0 + ], + "raw_intensity_unit": "unspecified instrument intensity, not counts/A/C", + "published_relative_intensity": [ + 59, + 999 + ], + "relative_intensity": [ + 0.05958449945696473, + 1.0 + ], + "normalization": "all original raw-intensity values divided by their original maximum; full spectrum retained, no mass-domain renormalization", + "relative_intensity_unit": "1", + "evidence": "measured_literature", + "source": "massbank_sm814453", + "annotations_raw": [ + { + "line": 47, + "raw": " 195.0451 C13H7O2- 1 195.0452 -0.29" + }, + { + "line": 48, + "raw": " 223.04 C14H7O3- 1 223.0401 -0.29" + } + ], + "source_peak_count": 2, + "original_acquisition_type": "processed centroid peak table, loess recalibrated by RMassBank; not unprocessed detector electronics" + }, + "range_40_3000": { + "original_indices": [ + 0, + 1 + ], + "retained_raw_intensity_fraction": 1.0, + "meaning": "Fraction of sums of reported intensities, not analyte yield/ion count/charge/mass" + }, + "source": "massbank_sm814453", + "evidence": "measured_literature", + "source_field_lines": { + "ACCESSION": [ + 1 + ], + "RECORD_TITLE": [ + 2 + ], + "DATE": [ + 3 + ], + "AUTHORS": [ + 4 + ], + "LICENSE": [ + 5 + ], + "COPYRIGHT": [ + 6 + ], + "PUBLICATION": [ + 7 + ], + "COMMENT": [ + 8, + 9 + ], + "CH$NAME": [ + 10, + 11, + 12 + ], + "CH$COMPOUND_CLASS": [ + 13 + ], + "CH$FORMULA": [ + 14 + ], + "CH$EXACT_MASS": [ + 15 + ], + "CH$SMILES": [ + 16 + ], + "CH$IUPAC": [ + 17 + ], + "CH$LINK": [ + 18, + 19, + 20, + 21, + 22, + 23, + 24 + ], + "AC$INSTRUMENT": [ + 25 + ], + "AC$INSTRUMENT_TYPE": [ + 26 + ], + "AC$MASS_SPECTROMETRY": [ + 27, + 28, + 29, + 30, + 31, + 32 + ], + "AC$CHROMATOGRAPHY": [ + 33, + 34, + 35, + 36, + 37, + 38 + ], + "MS$FOCUSED_ION": [ + 39, + 40, + 41 + ], + "MS$DATA_PROCESSING": [ + 42, + 43, + 44 + ], + "PK$SPLASH": [ + 45 + ], + "PK$ANNOTATION": [ + 46 + ], + "PK$NUM_PEAK": [ + 49 + ], + "PK$PEAK": [ + 50 + ] + }, + "source_headers": { + "ACCESSION": [ + "MSBNK-CASMI_2016-SM814453" + ], + "RECORD_TITLE": [ + "2-Hydroxyanthraquinone; LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M-H]-" + ], + "DATE": [ + "2016.12.12" + ], + "AUTHORS": [ + "Krauss M, Schymanski EL, Weidauer C, Schupke H, UFZ and Eawag" + ], + "LICENSE": [ + "CC BY" + ], + "COPYRIGHT": [ + "Copyright (C) 2016 UFZ/Eawag" + ], + "PUBLICATION": [ + "Schymanski, E. L.; Ruttkies, C.; Krauss, M.; Brouard, C.; Kind, T.; Dührkop, K.; Allen, F.; Vaniya, A.; Verdegem, D.; Böcker, S.; et al. Critical Assessment of Small Molecule Identification 2016: Automated Methods. Journal of Cheminformatics 2017, 9 (1). DOI:10.1186/s13321-017-0207-1" + ], + "COMMENT": [ + "CONFIDENCE standard compound", + "INTERNAL_ID 8144" + ], + "CH$NAME": [ + "2-Hydroxyanthraquinone", + "2-Hydroxyanthrachinon", + "2-hydroxyanthracene-9,10-dione" + ], + "CH$COMPOUND_CLASS": [ + "N/A; Environmental Standard" + ], + "CH$FORMULA": [ + "C14H8O3" + ], + "CH$EXACT_MASS": [ + "224.04734" + ], + "CH$SMILES": [ + "OC1=CC2=C(C=C1)C(=O)C1=CC=CC=C1C2=O" + ], + "CH$IUPAC": [ + "InChI=1S/C14H8O3/c15-8-5-6-11-12(7-8)14(17)10-4-2-1-3-9(10)13(11)16/h1-7,15H" + ], + "CH$LINK": [ + "CAS 605-32-3", + "CHEBI CHEBI:37482", + "PUBCHEM CID:11796", + "INCHIKEY GCDBEYOJCZLKMC-UHFFFAOYSA-N", + "CHEMSPIDER 11303", + "COMPTOX DTXSID4049327", + "ChemOnt CHEMONTID:0000151; Organic compounds; Benzenoids; Anthracenes; Anthraquinones" + ], + "AC$INSTRUMENT": [ + "Q Exactive Plus Orbitrap Thermo Scientific" + ], + "AC$INSTRUMENT_TYPE": [ + "LC-ESI-QFT" + ], + "AC$MASS_SPECTROMETRY": [ + "MS_TYPE MS2", + "ION_MODE NEGATIVE", + "IONIZATION ESI", + "FRAGMENTATION_MODE HCD", + "COLLISION_ENERGY 35 (nominal)", + "RESOLUTION 35000" + ], + "AC$CHROMATOGRAPHY": [ + "COLUMN_NAME Kinetex C18 EVO 2.6 um, 2.1x50 mm, precolumn 2.1x5 mm, Phenomenex", + "FLOW_GRADIENT 95/5 at 0 min, 95/5 at 1 min, 0/100 at 13 min, 0/100 at 24 min", + "FLOW_RATE 300 uL/min", + "RETENTION_TIME 10.718 min", + "SOLVENT A water with 0.1% formic acid", + "SOLVENT B methanol with 0.1% formic acid" + ], + "MS$FOCUSED_ION": [ + "BASE_PEAK 91.0022", + "PRECURSOR_M/Z 223.0401", + "PRECURSOR_TYPE [M-H]-" + ], + "MS$DATA_PROCESSING": [ + "RECALIBRATE loess on assigned fragments and MS1", + "REANALYZE Peaks with additional N2/O included", + "WHOLE RMassBank 2.3.1" + ], + "PK$SPLASH": [ + "splash10-00di-0090000000-e9f4aab08e68cbe75597" + ], + "PK$ANNOTATION": [ + "m/z tentative_formula formula_count mass error(ppm)" + ], + "PK$NUM_PEAK": [ + "2" + ], + "PK$PEAK": [ + "m/z int. rel.int." + ] + }, + "limitations": [ + "Source Q Exactive Plus differs from target Exploris120. Fixed MS2 spectrum transfer requires explicit host acceptance.", + "35000 source resolving power is not a selectable Exploris120 resolving-power setting; resampling does not create original resolution.", + "Polarity/adduct and reported nominal NCE are retained, but record35 versus paper stepped20/35/50 remains unresolved; even nominally matching NCE requires explicit source-condition transfer acceptance.", + "Source intensity is not concentration calibration, detector count, current or FT transient.", + "Precursor formula and mass reference are not a certified calibrant assignment; current mass-scale and response require explicit model observations.", + "All MS1 isotope probabilities are theoretical natural-isotope references; no actual ESI response or solvent-specific adduct equilibrium is claimed.", + "A single-peak MS2 record is a valid reference but does not establish a rich structural fragmentation pattern or unique molecular structure." + ] + }, + "sm814501": { + "substance_id": "sm814501", + "accession": "MSBNK-CASMI_2016-SM814501", + "name_en": "2-Methoxy-1-naphthaldehyde", + "names": [ + "2-Methoxy-1-naphthaldehyde", + "2-methoxynaphthalene-1-carbaldehyde" + ], + "formula": "C12H10O2", + "element_counts": { + "C": 12, + "H": 10, + "O": 2 + }, + "inchikey": "YIQGLTKAOHRZOL-UHFFFAOYSA-N", + "inchi": "InChI=1S/C12H10O2/c1-14-12-7-6-9-4-2-3-5-10(9)11(12)8-13/h2-8H,1H3", + "smiles": "COC1=C(C=O)C2=CC=CC=C2C=C1", + "cas": "5392-12-1", + "pubchem_cid": "CID:79352", + "molar_mass_kg_mol": 0.1862070481500173, + "molar_mass_evidence": "derived approximate average from NIST representative isotope composition, not current specimen isotopic mass", + "source_neutral_exact_mass_u": 186.06808, + "neutral_exact_mass_u": 186.06807956144002, + "neutral_exact_mass_evidence": "derived from most abundant NIST isotope of each element, source rounded CH$EXACT_MASS retained separately", + "precursor_mz": 187.0754, + "precursor_mz_si_kg_c": 1.938899893691975e-06, + 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LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M+H]+" + ], + "DATE": [ + "2016.12.12" + ], + "AUTHORS": [ + "Krauss M, Schymanski EL, Weidauer C, Schupke H, UFZ and Eawag" + ], + "LICENSE": [ + "CC BY" + ], + "COPYRIGHT": [ + "Copyright (C) 2016 UFZ/Eawag" + ], + "PUBLICATION": [ + "Schymanski, E. L.; Ruttkies, C.; Krauss, M.; Brouard, C.; Kind, T.; Dührkop, K.; Allen, F.; Vaniya, A.; Verdegem, D.; Böcker, S.; et al. Critical Assessment of Small Molecule Identification 2016: Automated Methods. Journal of Cheminformatics 2017, 9 (1). DOI:10.1186/s13321-017-0207-1" + ], + "COMMENT": [ + "CONFIDENCE standard compound", + "INTERNAL_ID 8145" + ], + "CH$NAME": [ + "2-Methoxy-1-naphthaldehyde", + "2-methoxynaphthalene-1-carbaldehyde" + ], + "CH$COMPOUND_CLASS": [ + "N/A; Environmental Standard" + ], + "CH$FORMULA": [ + "C12H10O2" + ], + "CH$EXACT_MASS": [ + "186.06808" + ], + "CH$SMILES": [ + "COC1=C(C=O)C2=CC=CC=C2C=C1" + ], + "CH$IUPAC": [ + "InChI=1S/C12H10O2/c1-14-12-7-6-9-4-2-3-5-10(9)11(12)8-13/h2-8H,1H3" + ], + "CH$LINK": [ + "CAS 5392-12-1", + "PUBCHEM CID:79352", + "INCHIKEY YIQGLTKAOHRZOL-UHFFFAOYSA-N", + "CHEMSPIDER 71672", + "COMPTOX DTXSID80202202", + "ChemOnt CHEMONTID:0000023; Organic compounds; Benzenoids; Naphthalenes" + ], + "AC$INSTRUMENT": [ + "Q Exactive Plus Orbitrap Thermo Scientific" + ], + "AC$INSTRUMENT_TYPE": [ + "LC-ESI-QFT" + ], + "AC$MASS_SPECTROMETRY": [ + "MS_TYPE MS2", + "ION_MODE POSITIVE", + "IONIZATION ESI", + "FRAGMENTATION_MODE HCD", + "COLLISION_ENERGY 35 (nominal)", + "RESOLUTION 35000" + ], + "AC$CHROMATOGRAPHY": [ + "COLUMN_NAME Kinetex C18 EVO 2.6 um, 2.1x50 mm, precolumn 2.1x5 mm, Phenomenex", + "FLOW_GRADIENT 95/5 at 0 min, 95/5 at 1 min, 0/100 at 13 min, 0/100 at 24 min", + "FLOW_RATE 300 uL/min", + "RETENTION_TIME 10.667 min", + "SOLVENT A water with 0.1% formic acid", + "SOLVENT B methanol with 0.1% formic acid" + ], + "MS$FOCUSED_ION": [ + "BASE_PEAK 65.0597", + "PRECURSOR_M/Z 187.0754", + "PRECURSOR_TYPE [M+H]+" + ], + "MS$DATA_PROCESSING": [ + "RECALIBRATE loess on assigned fragments and MS1", + "REANALYZE Peaks with additional N2/O included", + "WHOLE RMassBank 2.3.1" + ], + "PK$SPLASH": [ + "splash10-052u-0900000000-6fc15b80ca118b14eb1e" + ], + "PK$ANNOTATION": [ + "m/z tentative_formula formula_count mass error(ppm)" + ], + "PK$NUM_PEAK": [ + "22" + ], + "PK$PEAK": [ + "m/z int. rel.int." + ] + }, + "limitations": [ + "Source Q Exactive Plus differs from target Exploris120. Fixed MS2 spectrum transfer requires explicit host acceptance.", + "35000 source resolving power is not a selectable Exploris120 resolving-power setting; resampling does not create original resolution.", + "Polarity/adduct and reported nominal NCE are retained, but record35 versus paper stepped20/35/50 remains unresolved; even nominally matching NCE requires explicit source-condition transfer acceptance.", + "Source intensity is not concentration calibration, detector count, current or FT transient.", + "Precursor formula and mass reference are not a certified calibrant assignment; current mass-scale and response require explicit model observations.", + "All MS1 isotope probabilities are theoretical natural-isotope references; no actual ESI response or solvent-specific adduct equilibrium is claimed.", + "A single-peak MS2 record is a valid reference but does not establish a rich structural fragmentation pattern or unique molecular structure." + ] + }, + "sm814802": { + "substance_id": 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L.; Ruttkies, C.; Krauss, M.; Brouard, C.; Kind, T.; Dührkop, K.; Allen, F.; Vaniya, A.; Verdegem, D.; Böcker, S.; et al. Critical Assessment of Small Molecule Identification 2016: Automated Methods. Journal of Cheminformatics 2017, 9 (1). DOI:10.1186/s13321-017-0207-1" + ], + "COMMENT": [ + "CONFIDENCE standard compound", + "INTERNAL_ID 8148" + ], + "CH$NAME": [ + "2-Methylnaphtho(1,2-d)thiazole", + "2-Methylnaphtho[1,2-d]thiazole", + "2-methylbenzo[e][1,3]benzothiazole" + ], + "CH$COMPOUND_CLASS": [ + "N/A; Environmental Standard" + ], + "CH$FORMULA": [ + "C12H9NS" + ], + "CH$EXACT_MASS": [ + "199.04557" + ], + "CH$SMILES": [ + "CC1=NC2=C(S1)C=CC1=CC=CC=C21" + ], + "CH$IUPAC": [ + "InChI=1S/C12H9NS/c1-8-13-12-10-5-3-2-4-9(10)6-7-11(12)14-8/h2-7H,1H3" + ], + "CH$LINK": [ + "CAS 2682-45-3", + "PUBCHEM CID:75892", + "INCHIKEY OUXMJRMYZCEVKO-UHFFFAOYSA-N", + "CHEMSPIDER 68397", + "COMPTOX DTXSID7062588", + "ChemOnt CHEMONTID:0002114; Organic compounds; Organoheterocyclic compounds; Naphthothiazoles" + ], + "AC$INSTRUMENT": [ + "Q Exactive Plus Orbitrap Thermo Scientific" + ], + "AC$INSTRUMENT_TYPE": [ + "LC-ESI-QFT" + ], + "AC$MASS_SPECTROMETRY": [ + "MS_TYPE MS2", + "ION_MODE POSITIVE", + "IONIZATION ESI", + "FRAGMENTATION_MODE HCD", + "COLLISION_ENERGY 35 (nominal)", + "RESOLUTION 35000" + ], + "AC$CHROMATOGRAPHY": [ + "COLUMN_NAME Kinetex C18 EVO 2.6 um, 2.1x50 mm, precolumn 2.1x5 mm, Phenomenex", + "FLOW_GRADIENT 95/5 at 0 min, 95/5 at 1 min, 0/100 at 13 min, 0/100 at 24 min", + "FLOW_RATE 300 uL/min", + "RETENTION_TIME 11.723 min", + "SOLVENT A water with 0.1% formic acid", + "SOLVENT B methanol with 0.1% formic acid" + ], + "MS$FOCUSED_ION": [ + "BASE_PEAK 200.0526", + "PRECURSOR_M/Z 200.0528", + "PRECURSOR_TYPE [M+H]+" + ], + "MS$DATA_PROCESSING": [ + "RECALIBRATE loess on assigned fragments and MS1", + "REANALYZE Peaks with additional N2/O included", + "WHOLE RMassBank 2.3.1" + ], + "PK$SPLASH": [ + "splash10-0udi-0290000000-a643f36ba208b280d15d" + ], + "PK$ANNOTATION": [ + "m/z tentative_formula formula_count mass error(ppm)" + ], + "PK$NUM_PEAK": [ + "7" + ], + "PK$PEAK": [ + "m/z int. rel.int." + ] + }, + "limitations": [ + "Source Q Exactive Plus differs from target Exploris120. Fixed MS2 spectrum transfer requires explicit host acceptance.", + "35000 source resolving power is not a selectable Exploris120 resolving-power setting; resampling does not create original resolution.", + "Polarity/adduct and reported nominal NCE are retained, but record35 versus paper stepped20/35/50 remains unresolved; even nominally matching NCE requires explicit source-condition transfer acceptance.", + "Source intensity is not concentration calibration, detector count, current or FT transient.", + "Precursor formula and mass reference are not a certified calibrant assignment; current mass-scale and response require explicit model observations.", + "All MS1 isotope probabilities are theoretical natural-isotope references; no actual ESI response or solvent-specific adduct equilibrium is claimed.", + "A single-peak MS2 record is a valid reference but does not establish a rich structural fragmentation pattern or unique molecular structure." + ] + }, + "sm814901": { + "substance_id": "sm814901", + "accession": "MSBNK-CASMI_2016-SM814901", + "name_en": "3-Phenoxyphenol", + "names": [ + "3-Phenoxyphenol" + ], + "formula": "C12H10O2", + "element_counts": { + "C": 12, + "H": 10, + "O": 2 + }, + "inchikey": "HBUCPZGYBSEEHF-UHFFFAOYSA-N", + "inchi": "InChI=1S/C12H10O2/c13-10-5-4-8-12(9-10)14-11-6-2-1-3-7-11/h1-9,13H", + "smiles": "OC1=CC(OC2=CC=CC=C2)=CC=C1", + "cas": "713-68-8", + "pubchem_cid": "CID:12842", + "molar_mass_kg_mol": 0.1862070481500173, + "molar_mass_evidence": "derived approximate average from NIST representative isotope composition, not current specimen isotopic mass", + "source_neutral_exact_mass_u": 186.06808, + "neutral_exact_mass_u": 186.06807956144002, + "neutral_exact_mass_evidence": "derived from most abundant NIST isotope of each element, source rounded CH$EXACT_MASS retained separately", + "precursor_mz": 187.0754, + "precursor_mz_si_kg_c": 1.938899893691975e-06, + "precursor_mz_evidence": "reported precursor selection/reference setting, not 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LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M+H]+" + ], + "DATE": [ + "2016.12.12" + ], + "AUTHORS": [ + "Krauss M, Schymanski EL, Weidauer C, Schupke H, UFZ and Eawag" + ], + "LICENSE": [ + "CC BY" + ], + "COPYRIGHT": [ + "Copyright (C) 2016 UFZ/Eawag" + ], + "PUBLICATION": [ + "Schymanski, E. L.; Ruttkies, C.; Krauss, M.; Brouard, C.; Kind, T.; Dührkop, K.; Allen, F.; Vaniya, A.; Verdegem, D.; Böcker, S.; et al. Critical Assessment of Small Molecule Identification 2016: Automated Methods. Journal of Cheminformatics 2017, 9 (1). DOI:10.1186/s13321-017-0207-1" + ], + "COMMENT": [ + "CONFIDENCE standard compound", + "INTERNAL_ID 8149" + ], + "CH$NAME": [ + "3-Phenoxyphenol" + ], + "CH$COMPOUND_CLASS": [ + "N/A; Environmental Standard" + ], + "CH$FORMULA": [ + "C12H10O2" + ], + "CH$EXACT_MASS": [ + "186.06808" + ], + "CH$SMILES": [ + "OC1=CC(OC2=CC=CC=C2)=CC=C1" + ], + "CH$IUPAC": [ + "InChI=1S/C12H10O2/c13-10-5-4-8-12(9-10)14-11-6-2-1-3-7-11/h1-9,13H" + ], + "CH$LINK": [ + "CAS 713-68-8", + "PUBCHEM CID:12842", + "INCHIKEY HBUCPZGYBSEEHF-UHFFFAOYSA-N", + "CHEMSPIDER 12312", + "COMPTOX DTXSID9061047", + "ChemOnt CHEMONTID:0004155; Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylethers" + ], + "AC$INSTRUMENT": [ + "Q Exactive Plus Orbitrap Thermo Scientific" + ], + "AC$INSTRUMENT_TYPE": [ + "LC-ESI-QFT" + ], + "AC$MASS_SPECTROMETRY": [ + "MS_TYPE MS2", + "ION_MODE POSITIVE", + "IONIZATION ESI", + "FRAGMENTATION_MODE HCD", + "COLLISION_ENERGY 35 (nominal)", + "RESOLUTION 35000" + ], + "AC$CHROMATOGRAPHY": [ + "COLUMN_NAME Kinetex C18 EVO 2.6 um, 2.1x50 mm, precolumn 2.1x5 mm, Phenomenex", + "FLOW_GRADIENT 95/5 at 0 min, 95/5 at 1 min, 0/100 at 13 min, 0/100 at 24 min", + "FLOW_RATE 300 uL/min", + "RETENTION_TIME 10.667 min", + "SOLVENT A water with 0.1% formic acid", + "SOLVENT B methanol with 0.1% formic acid" + ], + "MS$FOCUSED_ION": [ + "BASE_PEAK 65.0597", + "PRECURSOR_M/Z 187.0754", + "PRECURSOR_TYPE [M+H]+" + ], + "MS$DATA_PROCESSING": [ + "RECALIBRATE loess on assigned fragments and MS1", + "REANALYZE Peaks with additional N2/O included", + "WHOLE RMassBank 2.3.1" + ], + "PK$SPLASH": [ + "splash10-052u-0900000000-6fc15b80ca118b14eb1e" + ], + "PK$ANNOTATION": [ + "m/z tentative_formula formula_count mass error(ppm)" + ], + "PK$NUM_PEAK": [ + "22" + ], + "PK$PEAK": [ + "m/z int. rel.int." + ] + }, + "limitations": [ + "Source Q Exactive Plus differs from target Exploris120. Fixed MS2 spectrum transfer requires explicit host acceptance.", + "35000 source resolving power is not a selectable Exploris120 resolving-power setting; resampling does not create original resolution.", + "Polarity/adduct and reported nominal NCE are retained, but record35 versus paper stepped20/35/50 remains unresolved; even nominally matching NCE requires explicit source-condition transfer acceptance.", + "Source intensity is not concentration calibration, detector count, current or FT transient.", + "Precursor formula and mass reference are not a certified calibrant assignment; current mass-scale and response require explicit model observations.", + "All MS1 isotope probabilities are theoretical natural-isotope references; no actual ESI response or solvent-specific adduct equilibrium is claimed.", + "A single-peak MS2 record is a valid reference but does not establish a rich structural fragmentation pattern or unique molecular structure." + ] + }, + "sm815301": { + "substance_id": "sm815301", + "accession": "MSBNK-CASMI_2016-SM815301", + "name_en": "Indazole", + "names": [ + "Indazole", + "1H-indazole" + ], + "formula": "C7H6N2", + "element_counts": { + "C": 7, + "H": 6, + "N": 2 + }, + "inchikey": "BAXOFTOLAUCFNW-UHFFFAOYSA-N", + "inchi": "InChI=1S/C7H6N2/c1-2-4-7-6(3-1)5-8-9-7/h1-5H,(H,8,9)", + "smiles": "N1N=CC2=CC=CC=C12", + "cas": "271-44-3", + "pubchem_cid": "CID:9221", + "molar_mass_kg_mol": 0.11813620222437302, + "molar_mass_evidence": "derived approximate average from NIST representative isotope composition, not current specimen isotopic mass", + "source_neutral_exact_mass_u": 118.0531, + "neutral_exact_mass_u": 118.05309820224, + "neutral_exact_mass_evidence": "derived from most abundant NIST isotope of each element, source rounded CH$EXACT_MASS retained separately", + "precursor_mz": 119.0604, + "precursor_mz_si_kg_c": 1.2339740922800325e-06, + "precursor_mz_evidence": "reported precursor selection/reference setting, not independently available MS1 centroid data", + "derived_precursor_mz": 119.0603746688189, + "precursor_charge": 1, + "precursor_type": "[M+H]+", + "polarity": "positive", + "ionization": "ESI", + "fragmentation_mode": "HCD", + "instrument_type": "LC-ESI-QFT", + "instrument": "Q Exactive Plus Orbitrap Thermo Scientific", + "collision_energy": { + "value": 35.0, + "unit": "NCE", + "fraction": 0.35, + "raw": "35 (nominal)", + "unit_evidence": "RECORD_TITLE explicitly names NCE; no conversion to eV or V", + "paper_stepped_nce": [ + 20.0, + 35.0, + 50.0 + ], + "single_energy_verified": false, + "conflict": "Record labels35 NCE but cited paper Methods reports stepped20/35/50; cannot infer this is a pure35 spectrum." + }, + "source_resolution_200": 35000.0, + "source_resolution_evidence": "35000 nominal MS/MS resolving power at m/z200 documented in CASMI publication methods", + "conditions": { + "chromatography_raw": [ + "COLUMN_NAME Kinetex C18 EVO 2.6 um, 2.1x50 mm, precolumn 2.1x5 mm, Phenomenex", + "FLOW_GRADIENT 95/5 at 0 min, 95/5 at 1 min, 0/100 at 13 min, 0/100 at 24 min", + "FLOW_RATE 300 uL/min", + "RETENTION_TIME 6.364 min", + "SOLVENT A water with 0.1% formic acid", + "SOLVENT B methanol with 0.1% formic acid" + ], + "spectrometry_raw": [ + "MS_TYPE MS2", + "ION_MODE POSITIVE", + "IONIZATION ESI", + "FRAGMENTATION_MODE HCD", + "COLLISION_ENERGY 35 (nominal)", + "RESOLUTION 35000" + ], + "data_processing_raw": [ + "RECALIBRATE loess on assigned fragments and MS1", + "REANALYZE Peaks with additional N2/O included", + "WHOLE RMassBank 2.3.1" + ], + "confidence_raw": [ + "CONFIDENCE standard compound", + "INTERNAL_ID 8153" + ], + "sample_concentration_kg_m3": null, + "temperature_k": null, + "electronic_profile_available": false, + "measured_on_exploris120": false + }, + "record_kind": "measured_processed_ms2_reference", + "physical_input_eligible": true, + "mass_reference_eligible": true, + "concentration_calibration_eligible": false, + "ms1_measured": null, + "single_peak_only": false, + "derived_ms1": { + "mass_to_charge_relative": [ + 119.0603746665789, + 120.05740956157891, + 120.0637295015789, + 120.0666514125789, + 121.0544444565789, + 121.0607643965789, + 121.0636863075789, + 121.0670843365789, + 121.0700062475789, + 121.0729281585789, + 122.0577992915789, + 122.0607212025789, + 122.0641192315789, + 122.0670411425789, + 122.0699630535789, + 122.0704391715789, + 122.0733610825789, + 122.0762829935789, + 123.0611541265789, + 123.0640760375789, + 123.0674740665789, + 123.0703959775789, + 123.07379400657891, + 123.0767159175789, + 123.0796378285789, + 124.0645089615789, + 124.0708289015789, + 124.07375081257891, + 124.0771488415789 + ], + "mass_to_charge_si_kg_c": [ + 1.2339738297176245e-06, + 1.244307368236974e-06, + 1.2443728697994143e-06, + 1.2444031532729617e-06, + 1.2546409067563233e-06, + 1.2547064083187637e-06, + 1.254736691792311e-06, + 1.2547719098812038e-06, + 1.2548021933547514e-06, + 1.2548324768282988e-06, + 1.2650399468381129e-06, + 1.2650702303116605e-06, + 1.265105448400553e-06, + 1.2651357318741006e-06, + 1.2651660153476482e-06, + 1.2651709499629934e-06, + 1.2652012334365408e-06, + 1.2652315169100884e-06, + 1.2754389869199024e-06, + 1.27546927039345e-06, + 1.2755044884823428e-06, + 1.2755347719558902e-06, + 1.2755699900447832e-06, + 1.2756002735183305e-06, + 1.275630556991878e-06, + 1.2858380270016922e-06, + 1.2859035285641326e-06, + 1.28593381203768e-06, + 1.2859690301265727e-06 + ], + "probability": [ + 0.9200871197065558, + 0.006722704877216795, + 0.06965988604672092, + 0.0006349331299074629, + 1.2280022157186726e-05, + 0.0005089766454094186, + 4.639199873265014e-06, + 0.0022602672011520697, + 4.807084951993222e-05, + 1.8256426973941565e-07, + 9.297216815660423e-07, + 8.474189820288174e-09, + 1.651485931228378e-05, + 3.5123427727438537e-07, + 1.3339233647506382e-09, + 4.0744059861058555e-05, + 1.5597637416252147e-06, + 1.3821958762238172e-08, + 3.0166851287041304e-08, + 6.415817421809199e-10, + 2.977003851906001e-07, + 1.1396563530281788e-08, + 4.406766810000268e-07, + 2.8116634717122874e-08, + 2.690901908022918e-10, + 5.437941116131641e-10, + 3.2198464788632572e-09, + 2.054368910239818e-10, + 2.8597435479835977e-09 + ], + "relative_intensity": [ + 1.0, + 0.0073065960094744874, + 0.07571009804912562, + 0.0006900793591262996, + 1.3346586311417123e-05, + 0.0005531831002826634, + 5.0421310916129315e-06, + 0.0024565795485463797, + 5.2245975941129904e-05, + 1.9842063412173517e-07, + 1.0104713582585085e-06, + 9.21020372830657e-09, + 1.7949234326365614e-05, + 3.8174023932255983e-07, + 1.4497794134712674e-09, + 4.4282828210934086e-05, + 1.6952348405036596e-06, + 1.5022445664326246e-08, + 3.278695097553637e-08, + 6.973054273225128e-10, + 3.235567358942553e-07, + 1.2386396120746158e-08, + 4.789510379632009e-07, + 3.055866571210141e-08, + 2.9246164307583503e-10, + 5.910245888308889e-10, + 3.4995017427155873e-09, + 2.2327982494690498e-10, + 3.108122575279239e-09 + ], + "retained_probability": 0.999999999308337, + "excluded_probability": 6.916629491371395e-10, + "evidence": "derived", + "source": [ + "nist_isotopes", + "codata2022_u", + "codata2022_e", + "codata2022_me", + "codata2022_mp" + ], + "unit": "1", + "method": "Independent natural elemental abundances normalized per element; atomic masses each rounded once to 1e-9 u and exactly summed as integer nano-u during atom convolution; prune probability<1e-10 and cap4096 states after each atom. No renormalization of retained probabilities. Positive neutral molecule adds fixed CODATA proton; negative molecule loses one natural H atom and gains CODATA electron. Electron/proton binding-energy conventions are molecular mass approximations, not measured MS1 or isotope response.", + "physical_scope": "Derived isotope-composition probabilities, not response/ionization efficiency; instrument-resolved profile is synthetic." + }, + "ms2": { + "mass_to_charge_relative": [ + 59.0493, + 65.0386, + 92.0494, + 119.0603 + ], + "mass_to_charge_si_kg_c": [ + 6.120028688570786e-07, + 6.740775891746049e-07, + 9.54024804300352e-07, + 1.2339730558530657e-06 + ], + "raw_intensity": [ + 260127.4, + 844113.5, + 6781163.0, + 120263760.0 + ], + "raw_intensity_unit": "unspecified instrument intensity, not counts/A/C", + "published_relative_intensity": [ + 2, + 7, + 56, + 999 + ], + "relative_intensity": [ + 0.002162974116225869, + 0.007018851730562889, + 0.05638575577547218, + 1.0 + ], + "normalization": "all original raw-intensity values divided by their original maximum; full spectrum retained, no mass-domain renormalization", + "relative_intensity_unit": "1", + "evidence": "measured_literature", + "source": "massbank_sm815301", + "annotations_raw": [ + { + "line": 46, + "raw": " 59.0493 C3H7O+ 1 59.0491 2.05" + }, + { + "line": 47, + "raw": " 65.0386 C5H5+ 1 65.0386 0.51" + }, + { + "line": 48, + "raw": " 92.0494 C6H6N+ 1 92.0495 -0.57" + }, + { + "line": 49, + "raw": " 119.0603 C7H7N2+ 1 119.0604 -0.7" + } + ], + "source_peak_count": 4, + "original_acquisition_type": "processed centroid peak table, loess recalibrated by RMassBank; not unprocessed detector electronics" + }, + "range_40_3000": { + "original_indices": [ + 0, + 1, + 2, + 3 + ], + "retained_raw_intensity_fraction": 1.0, + "meaning": "Fraction of sums of reported intensities, not analyte yield/ion count/charge/mass" + }, + "source": "massbank_sm815301", + "evidence": "measured_literature", + "source_field_lines": { + "ACCESSION": [ + 1 + ], + "RECORD_TITLE": [ + 2 + ], + "DATE": [ + 3 + ], + "AUTHORS": [ + 4 + ], + "LICENSE": [ + 5 + ], + "COPYRIGHT": [ + 6 + ], + "PUBLICATION": [ + 7 + ], + "COMMENT": [ + 8, + 9 + ], + "CH$NAME": [ + 10, + 11 + ], + "CH$COMPOUND_CLASS": [ + 12 + ], + "CH$FORMULA": [ + 13 + ], + "CH$EXACT_MASS": [ + 14 + ], + "CH$SMILES": [ + 15 + ], + "CH$IUPAC": [ + 16 + ], + "CH$LINK": [ + 17, + 18, + 19, + 20, + 21, + 22, + 23 + ], + "AC$INSTRUMENT": [ + 24 + ], + "AC$INSTRUMENT_TYPE": [ + 25 + ], + "AC$MASS_SPECTROMETRY": [ + 26, + 27, + 28, + 29, + 30, + 31 + ], + "AC$CHROMATOGRAPHY": [ + 32, + 33, + 34, + 35, + 36, + 37 + ], + "MS$FOCUSED_ION": [ + 38, + 39, + 40 + ], + "MS$DATA_PROCESSING": [ + 41, + 42, + 43 + ], + "PK$SPLASH": [ + 44 + ], + "PK$ANNOTATION": [ + 45 + ], + "PK$NUM_PEAK": [ + 50 + ], + "PK$PEAK": [ + 51 + ] + }, + "source_headers": { + "ACCESSION": [ + "MSBNK-CASMI_2016-SM815301" + ], + "RECORD_TITLE": [ + "Indazole; LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M+H]+" + ], + "DATE": [ + "2016.12.12" + ], + "AUTHORS": [ + "Krauss M, Schymanski EL, Weidauer C, Schupke H, UFZ and Eawag" + ], + "LICENSE": [ + "CC BY" + ], + "COPYRIGHT": [ + "Copyright (C) 2016 UFZ/Eawag" + ], + "PUBLICATION": [ + "Schymanski, E. L.; Ruttkies, C.; Krauss, M.; Brouard, C.; Kind, T.; Dührkop, K.; Allen, F.; Vaniya, A.; Verdegem, D.; Böcker, S.; et al. Critical Assessment of Small Molecule Identification 2016: Automated Methods. Journal of Cheminformatics 2017, 9 (1). DOI:10.1186/s13321-017-0207-1" + ], + "COMMENT": [ + "CONFIDENCE standard compound", + "INTERNAL_ID 8153" + ], + "CH$NAME": [ + "Indazole", + "1H-indazole" + ], + "CH$COMPOUND_CLASS": [ + "N/A; Environmental Standard" + ], + "CH$FORMULA": [ + "C7H6N2" + ], + "CH$EXACT_MASS": [ + "118.05310" + ], + "CH$SMILES": [ + "N1N=CC2=CC=CC=C12" + ], + "CH$IUPAC": [ + "InChI=1S/C7H6N2/c1-2-4-7-6(3-1)5-8-9-7/h1-5H,(H,8,9)" + ], + "CH$LINK": [ + "CAS 271-44-3", + "CHEBI CHEBI:36669", + "PUBCHEM CID:9221", + "INCHIKEY BAXOFTOLAUCFNW-UHFFFAOYSA-N", + "CHEMSPIDER 8866", + "COMPTOX DTXSID4075374", + "ChemOnt CHEMONTID:0000080; Organic compounds; Organoheterocyclic compounds; Benzopyrazoles; Indazoles" + ], + "AC$INSTRUMENT": [ + "Q Exactive Plus Orbitrap Thermo Scientific" + ], + "AC$INSTRUMENT_TYPE": [ + "LC-ESI-QFT" + ], + "AC$MASS_SPECTROMETRY": [ + "MS_TYPE MS2", + "ION_MODE POSITIVE", + "IONIZATION ESI", + "FRAGMENTATION_MODE HCD", + "COLLISION_ENERGY 35 (nominal)", + "RESOLUTION 35000" + ], + "AC$CHROMATOGRAPHY": [ + "COLUMN_NAME Kinetex C18 EVO 2.6 um, 2.1x50 mm, precolumn 2.1x5 mm, Phenomenex", + "FLOW_GRADIENT 95/5 at 0 min, 95/5 at 1 min, 0/100 at 13 min, 0/100 at 24 min", + "FLOW_RATE 300 uL/min", + "RETENTION_TIME 6.364 min", + "SOLVENT A water with 0.1% formic acid", + "SOLVENT B methanol with 0.1% formic acid" + ], + "MS$FOCUSED_ION": [ + "BASE_PEAK 119.0602", + "PRECURSOR_M/Z 119.0604", + "PRECURSOR_TYPE [M+H]+" + ], + "MS$DATA_PROCESSING": [ + "RECALIBRATE loess on assigned fragments and MS1", + "REANALYZE Peaks with additional N2/O included", + "WHOLE RMassBank 2.3.1" + ], + "PK$SPLASH": [ + "splash10-014i-0900000000-3c5974b72152811e3e7c" + ], + "PK$ANNOTATION": [ + "m/z tentative_formula formula_count mass error(ppm)" + ], + "PK$NUM_PEAK": [ + "4" + ], + "PK$PEAK": [ + "m/z int. rel.int." + ] + }, + "limitations": [ + "Source Q Exactive Plus differs from target Exploris120. Fixed MS2 spectrum transfer requires explicit host acceptance.", + "35000 source resolving power is not a selectable Exploris120 resolving-power setting; resampling does not create original resolution.", + "Polarity/adduct and reported nominal NCE are retained, but record35 versus paper stepped20/35/50 remains unresolved; even nominally matching NCE requires explicit source-condition transfer acceptance.", + "Source intensity is not concentration calibration, detector count, current or FT transient.", + "Precursor formula and mass reference are not a certified calibrant assignment; current mass-scale and response require explicit model observations.", + "All MS1 isotope probabilities are theoretical natural-isotope references; no actual ESI response or solvent-specific adduct equilibrium is claimed.", + "A single-peak MS2 record is a valid reference but does not establish a rich structural fragmentation pattern or unique molecular structure." + ] + }, + "sm815402": { + "substance_id": "sm815402", + "accession": "MSBNK-CASMI_2016-SM815402", + "name_en": "Pyrazol", + "names": [ + "Pyrazol" + ], + "formula": "C3H4N2", + "element_counts": { + "C": 3, + "H": 4, + "N": 2 + }, + "inchikey": "WTKZEGDFNFYCGP-UHFFFAOYSA-N", + "inchi": "InChI=1S/C3H4N2/c1-2-4-5-3-1/h1-3H,(H,4,5)", + "smiles": "N1C=CC=N1", + "cas": "288-13-1", + "pubchem_cid": "CID:1048", + "molar_mass_kg_mol": 0.06807737712932045, + "molar_mass_evidence": "derived approximate average from NIST representative isotope composition, not current specimen isotopic mass", + "source_neutral_exact_mass_u": 68.03745, + "neutral_exact_mass_u": 68.03744813778, + "neutral_exact_mass_evidence": "derived from most abundant NIST isotope of each element, source rounded CH$EXACT_MASS retained separately", + "precursor_mz": 69.0447, + "precursor_mz_si_kg_c": 7.155978898882177e-07, + "precursor_mz_evidence": "reported precursor selection/reference setting, not independently available MS1 centroid data", + "derived_precursor_mz": 69.0447246043589, + "precursor_charge": 1, + "precursor_type": "[M+H]+", + "polarity": "positive", + "ionization": "ESI", + "fragmentation_mode": "HCD", + "instrument_type": "LC-ESI-QFT", + "instrument": "Q Exactive Plus Orbitrap Thermo Scientific", + "collision_energy": { + "value": 35.0, + "unit": "NCE", + "fraction": 0.35, + "raw": "35 (nominal)", + "unit_evidence": "RECORD_TITLE explicitly names NCE; 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atomic masses each rounded once to 1e-9 u and exactly summed as integer nano-u during atom convolution; prune probability<1e-10 and cap4096 states after each atom. 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L.; Ruttkies, C.; Krauss, M.; Brouard, C.; Kind, T.; Dührkop, K.; Allen, F.; Vaniya, A.; Verdegem, D.; Böcker, S.; et al. Critical Assessment of Small Molecule Identification 2016: Automated Methods. Journal of Cheminformatics 2017, 9 (1). 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atomic masses each rounded once to 1e-9 u and exactly summed as integer nano-u during atom convolution; prune probability<1e-10 and cap4096 states after each atom. No renormalization of retained probabilities. Positive neutral molecule adds fixed CODATA proton; negative molecule loses one natural H atom and gains CODATA electron. Electron/proton binding-energy conventions are molecular mass approximations, not measured MS1 or isotope response.", + "physical_scope": "Derived isotope-composition probabilities, not response/ionization efficiency; instrument-resolved profile is synthetic." + }, + "ms2": { + "mass_to_charge_relative": [ + 53.0024, + 68.0496 + ], + "mass_to_charge_si_kg_c": [ + 5.493311666067239e-07, + 7.05284405142426e-07 + ], + "raw_intensity": [ + 6347.9, + 2177870.0 + ], + "raw_intensity_unit": "unspecified instrument intensity, not counts/A/C", + "published_relative_intensity": [ + 2, + 999 + ], + "relative_intensity": [ + 0.00291472861098229, + 1.0 + ], + "normalization": "all original raw-intensity values divided by their original maximum; full spectrum retained, no mass-domain renormalization", + "relative_intensity_unit": "1", + "evidence": "measured_literature", + "source": "massbank_sm815506", + "annotations_raw": [ + { + "line": 46, + "raw": " 53.0024 C3HO+ 1 53.0022 3.93" + }, + { + "line": 47, + "raw": " 68.0496 C4H6N+ 1 68.0495 1.27" + } + ], + "source_peak_count": 2, + "original_acquisition_type": "processed centroid peak table, loess recalibrated by RMassBank; not unprocessed detector electronics" + }, + "range_40_3000": { + "original_indices": [ + 0, + 1 + ], + "retained_raw_intensity_fraction": 1.0, + "meaning": "Fraction of sums of reported intensities, not analyte yield/ion count/charge/mass" + }, + "source": "massbank_sm815506", + "evidence": "measured_literature", + "source_field_lines": { + "ACCESSION": [ + 1 + ], + "RECORD_TITLE": [ + 2 + ], + "DATE": [ + 3 + ], + "AUTHORS": [ + 4 + ], + "LICENSE": [ + 5 + ], + "COPYRIGHT": [ + 6 + ], + "PUBLICATION": [ + 7 + ], + "COMMENT": [ + 8, + 9 + ], + "CH$NAME": [ + 10 + ], + "CH$COMPOUND_CLASS": [ + 11 + ], + "CH$FORMULA": [ + 12 + ], + "CH$EXACT_MASS": [ + 13 + ], + "CH$SMILES": [ + 14 + ], + "CH$IUPAC": [ + 15 + ], + "CH$LINK": [ + 16, + 17, + 18, + 19, + 20, + 21, + 22, + 23 + ], + "AC$INSTRUMENT": [ + 24 + ], + "AC$INSTRUMENT_TYPE": [ + 25 + ], + "AC$MASS_SPECTROMETRY": [ + 26, + 27, + 28, + 29, + 30, + 31 + ], + "AC$CHROMATOGRAPHY": [ + 32, + 33, + 34, + 35, + 36, + 37 + ], + "MS$FOCUSED_ION": [ + 38, + 39, + 40 + ], + "MS$DATA_PROCESSING": [ + 41, + 42, + 43 + ], + "PK$SPLASH": [ + 44 + ], + "PK$ANNOTATION": [ + 45 + ], + "PK$NUM_PEAK": [ + 48 + ], + "PK$PEAK": [ + 49 + ] + }, + "source_headers": { + "ACCESSION": [ + "MSBNK-CASMI_2016-SM815506" + ], + "RECORD_TITLE": [ + "Pyrrol; LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M+H]+" + ], + "DATE": [ + "2016.12.12" + ], + "AUTHORS": [ + "Krauss M, Schymanski EL, Weidauer C, Schupke H, UFZ and Eawag" + ], + "LICENSE": [ + "CC BY" + ], + "COPYRIGHT": [ + "Copyright (C) 2016 UFZ/Eawag" + ], + "PUBLICATION": [ + "Schymanski, E. L.; Ruttkies, C.; Krauss, M.; Brouard, C.; Kind, T.; Dührkop, K.; Allen, F.; Vaniya, A.; Verdegem, D.; Böcker, S.; et al. Critical Assessment of Small Molecule Identification 2016: Automated Methods. Journal of Cheminformatics 2017, 9 (1). DOI:10.1186/s13321-017-0207-1" + ], + "COMMENT": [ + "CONFIDENCE standard compound", + "INTERNAL_ID 8155" + ], + "CH$NAME": [ + "Pyrrol" + ], + "CH$COMPOUND_CLASS": [ + "N/A; Environmental Standard" + ], + "CH$FORMULA": [ + "C4H5N" + ], + "CH$EXACT_MASS": [ + "67.04220" + ], + "CH$SMILES": [ + "N1C=CC=C1" + ], + "CH$IUPAC": [ + "InChI=1S/C4H5N/c1-2-4-5-3-1/h1-5H" + ], + "CH$LINK": [ + "CAS 109-97-7", + "CHEBI CHEBI:19203", + "KEGG C19907", + "PUBCHEM CID:8027", + "INCHIKEY KAESVJOAVNADME-UHFFFAOYSA-N", + "CHEMSPIDER 7736", + "COMPTOX DTXSID5021910", + "ChemOnt CHEMONTID:0004144; Organic compounds; Organoheterocyclic compounds; Heteroaromatic compounds" + ], + "AC$INSTRUMENT": [ + "Q Exactive Plus Orbitrap Thermo Scientific" + ], + "AC$INSTRUMENT_TYPE": [ + "LC-ESI-QFT" + ], + "AC$MASS_SPECTROMETRY": [ + "MS_TYPE MS2", + "ION_MODE POSITIVE", + "IONIZATION ESI", + "FRAGMENTATION_MODE HCD", + "COLLISION_ENERGY 35 (nominal)", + "RESOLUTION 35000" + ], + "AC$CHROMATOGRAPHY": [ + "COLUMN_NAME Kinetex C18 EVO 2.6 um, 2.1x50 mm, precolumn 2.1x5 mm, Phenomenex", + "FLOW_GRADIENT 95/5 at 0 min, 95/5 at 1 min, 0/100 at 13 min, 0/100 at 24 min", + "FLOW_RATE 300 uL/min", + "RETENTION_TIME 0.915 min", + "SOLVENT A water with 0.1% formic acid", + "SOLVENT B methanol with 0.1% formic acid" + ], + "MS$FOCUSED_ION": [ + "BASE_PEAK 117.0909", + "PRECURSOR_M/Z 68.0495", + "PRECURSOR_TYPE [M+H]+" + ], + "MS$DATA_PROCESSING": [ + "RECALIBRATE loess on assigned fragments and MS1", + "REANALYZE Peaks with additional N2/O included", + "WHOLE RMassBank 2.3.1" + ], + "PK$SPLASH": [ + "splash10-014i-9000000000-510c084e3c928fa514ae" + ], + "PK$ANNOTATION": [ + "m/z tentative_formula formula_count mass error(ppm)" + ], + "PK$NUM_PEAK": [ + "2" + ], + "PK$PEAK": [ + "m/z int. rel.int." + ] + }, + "limitations": [ + "Source Q Exactive Plus differs from target Exploris120. Fixed MS2 spectrum transfer requires explicit host acceptance.", + "35000 source resolving power is not a selectable Exploris120 resolving-power setting; resampling does not create original resolution.", + "Polarity/adduct and reported nominal NCE are retained, but record35 versus paper stepped20/35/50 remains unresolved; even nominally matching NCE requires explicit source-condition transfer acceptance.", + "Source intensity is not concentration calibration, detector count, current or FT transient.", + "Precursor formula and mass reference are not a certified calibrant assignment; current mass-scale and response require explicit model observations.", + "All MS1 isotope probabilities are theoretical natural-isotope references; no actual ESI response or solvent-specific adduct equilibrium is claimed.", + "A single-peak MS2 record is a valid reference but does not establish a rich structural fragmentation pattern or unique molecular structure." + ] + } + }, + "coverage": { + "records": 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"MSBNK-CASMI_2016-SM814453", + "status": "selected", + "identity": "GCDBEYOJCZLKMC-UHFFFAOYSA-N" + }, + { + "record": "MSBNK-CASMI_2016-SM814501", + "status": "selected", + "identity": "YIQGLTKAOHRZOL-UHFFFAOYSA-N" + }, + { + "record": "MSBNK-CASMI_2016-SM814802", + "status": "selected", + "identity": "OUXMJRMYZCEVKO-UHFFFAOYSA-N" + }, + { + "record": "MSBNK-CASMI_2016-SM814901", + "status": "selected", + "identity": "HBUCPZGYBSEEHF-UHFFFAOYSA-N" + }, + { + "record": "MSBNK-CASMI_2016-SM815301", + "status": "selected", + "identity": "BAXOFTOLAUCFNW-UHFFFAOYSA-N" + }, + { + "record": "MSBNK-CASMI_2016-SM815402", + "status": "selected", + "identity": "WTKZEGDFNFYCGP-UHFFFAOYSA-N" + }, + { + "record": "MSBNK-CASMI_2016-SM815506", + "status": "selected", + "identity": "KAESVJOAVNADME-UHFFFAOYSA-N" + } + ], + "conflicts": [] +} diff --git "a/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/output_templates/\350\257\264\346\230\216.md" "b/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/output_templates/\350\257\264\346\230\216.md" new file mode 100644 index 0000000000000000000000000000000000000000..cca5cc094d21aff8c656d776674cff14211868dd --- /dev/null +++ "b/assets/expansion_batch04/t3_analytical/thermo_orbitrapexploris/output_templates/\350\257\264\346\230\216.md" @@ -0,0 +1,21 @@ +# CHEM-088 ESI/HCD 真实参考谱私库 + +80 个不同完整 InChIKey 身份,来自 MassBank 官方仓库 CASMI_2016 目录固定 main 提交 `705afb7bccc3b2c42410a744eef73674716a60ef`。64 条正离子、16 条负离子,合计 711 个原始表列 MS2 峰;74 条多峰与 6 条单峰单列统计。单峰记录不是丰富结构碎片证据。同分子式或同质量不证明分子结构相同。 + +每条原文保存在 raw/,保持 accession、作者、CC BY 标识、版权、论文、仪器、极性、加合物、前体选择 m/z、碰撞条件、LC 条件、RMassBank 处理说明和三列原始峰表。这里的原始是仓库原文,不是仪器未处理 FT 电信号。原强度单位未知,不能当作计数、电流、电荷或浓度;另提供全谱原强度除以全谱最大值的相对谱形,未按仪器范围重新归一化。 + +来源为 Q Exactive Plus Orbitrap,均不是 Exploris 120 实测。记录标题写 35 NCE,而引用论文 Methods 写 stepped 20/35/50 nominal HCD;两者同时保留,single_energy_verified=false。原谱 R=35000 @m/z200 也不是 Exploris 120 离散档位。任何固定谱形迁移均需要宿主明确接受条件差异,不声称变碰撞能/分辨率后是真实原机复演。论文筛除单峰参赛谱,而目录包含单峰条目;只认每条原文参考,不宣称所有条目为最终参赛挑战集。 + +MS1 无本批原始测量数组。derived_ms1 用 NIST 原子质量与天然同位素代表组成派生,D 明确归入 H 元素同位素。每个原子质量先舍入到 1e-9 u,再用整数 nano-u 计算可交换的质量卷积;概率低于 1e-10 的状态剪枝,每步最多 4096 状态,保留/舍弃概率都给出,保留概率不重新归一化。正离子为天然中性分子加固定 CODATA2022 质子,负离子为少一个天然 H 原子的分子加电子;这不计算电喷雾加合平衡、同位素响应或分子结合能微小修正。 + +SI 换算采用 CODATA2022 m_u=1.66053906892e-27 kg、e=1.602176634e-19 C;相对 m/z 的大小乘 m_u/e 得 kg/C,极性另列。neutral_exact_mass_u 是 NIST 派生质量,源 CH$EXACT_MASS 的舍入值另存。前体 PRECURSOR_M/Z 是源报告的选择值,不冒称实测 MS1 centroid。质量标定只能用公开公式质量参考与实际模型标准观测,不能称证书溯源标液,也没有真实浓度响应标线。 + +从项目根复建(仅本资产目录;Matterix conda 环境): + +```bash +python outputs/expansion_batch04/t3_analytical/thermo_orbitrapexploris/fetch_template_sources.py +python outputs/expansion_batch04/t3_analytical/thermo_orbitrapexploris/build_templates.py +python outputs/expansion_batch04/t3_analytical/thermo_orbitrapexploris/validate_source_records.py +``` + +逐源 URL、SHA256、Git blob SHA1、原文行号和完整方法见 library.json 和 source_records_validation.json。独立校验器不导入构建器或运行层,用多项式分布独立复算原子卷积。未测量量和条件冲突见 template_source_evidence.json;真实 Exploris 120 FT 原信号、样品浓度标定、跨机响应、实际样品同位素组成验证为 not_run。