Unify Neural Indexer dataset display name and paper metadata
Browse files- DATASET.json +4 -2
- README.md +11 -5
- RELIX-test-metadata.zip +2 -2
- SOURCE_ATTRIBUTION.md +1 -1
- UPLOAD_FILES.json +10 -10
DATASET.json
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@@ -27,8 +27,10 @@
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"source_files_verified": 10000,
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"reference_labels_included": true,
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"prediction_results_included": false,
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"public_repository": "https://github.com/max6616/
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"publication_status": "upload prepared",
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"license": "CC-BY-4.0",
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"version": "1.0.0"
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}
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"source_files_verified": 10000,
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"reference_labels_included": true,
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"prediction_results_included": false,
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"public_repository": "https://github.com/max6616/Neural-Indexer",
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"publication_status": "upload prepared",
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"license": "CC-BY-4.0",
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"version": "1.0.0",
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"display_name": "Neural Indexer simulation corpus — test split",
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"paper_title": "Neural Indexer for robust lattice recovery from single-crystal X-ray diffraction"
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}
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README.md
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---
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pretty_name:
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license: cc-by-4.0
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tags:
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- crystallography
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- physics
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viewer: false
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---
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#
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## Authors
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8. Gaoqi He — School of Computer Science and Technology, East China Normal University, Shanghai 200062, China
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This download contains 10,000 source crystals and 100,000
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simulated scans from the fixed test split of the
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Every crystal has ten scans. Crystal groups remain disjoint across train,
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validation and test. The original split assignments and raw archive bytes are
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preserved. This split is an input dataset with simulation reference labels.
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## Read a scan
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Use the reader from the [
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```sh
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python read_simulation.py /path/to/data/test/raw/2232561.tar.gz --scan 0
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```
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The CSV measurement columns are x_px, y_px, angle and I_LP. The h,k,l and qx,qy,qz
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columns and label sidecars contain simulation references.
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interface reads observations and supplied instrument geometry.
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Source CIFs are from the archived Materials Project export collection. Source
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@@ -86,3 +86,9 @@ The published test split contains 10,000 source crystals and 100,000 simulated s
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url = {https://doi.org/10.57967/hf/10757}
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}
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```
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---
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pretty_name: Neural Indexer simulation corpus — test split
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license: cc-by-4.0
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tags:
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- crystallography
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- physics
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viewer: false
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---
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# Neural Indexer simulation corpus — test split
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## Authors
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8. Gaoqi He — School of Computer Science and Technology, East China Normal University, Shanghai 200062, China
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This download contains 10,000 source crystals and 100,000
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+
simulated scans from the fixed test split of the Neural Indexer primary corpus.
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Every crystal has ten scans. Crystal groups remain disjoint across train,
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validation and test. The original split assignments and raw archive bytes are
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preserved. This split is an input dataset with simulation reference labels.
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## Read a scan
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Use the reader from the [Neural Indexer repository](https://github.com/max6616/Neural-Indexer):
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```sh
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python read_simulation.py /path/to/data/test/raw/2232561.tar.gz --scan 0
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```
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The CSV measurement columns are x_px, y_px, angle and I_LP. The h,k,l and qx,qy,qz
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columns and label sidecars contain simulation references. Neural Indexer's measured-input
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interface reads observations and supplied instrument geometry.
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Source CIFs are from the archived Materials Project export collection. Source
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url = {https://doi.org/10.57967/hf/10757}
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}
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```
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## Associated paper
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**Neural Indexer for robust lattice recovery from single-crystal X-ray diffraction**
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The current method and dataset display name is Neural Indexer. The DOI citation retains its registered historical title and revision. Existing volume names and raw data bytes are preserved.
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RELIX-test-metadata.zip
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version https://git-lfs.github.com/spec/v1
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oid sha256:
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size
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version https://git-lfs.github.com/spec/v1
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oid sha256:7c3c2b14f048808025ad836a38bd5968cc72a804a405be0d97694a3365077bc3
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size 2262880
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SOURCE_ATTRIBUTION.md
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@@ -21,4 +21,4 @@ are distinct from Materials Project entry IDs. The original database
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release/download date was not recorded.
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Generation transforms CIF structures into integrated diffraction tables
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and simulation reference labels. Code: [https://github.com/max6616/
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release/download date was not recorded.
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Generation transforms CIF structures into integrated diffraction tables
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and simulation reference labels. Code: [https://github.com/max6616/Neural-Indexer](https://github.com/max6616/Neural-Indexer).
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UPLOAD_FILES.json
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"files": [
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{
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"path": "DATASET.json",
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"bytes":
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"sha256": "
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{
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"path": "LICENSE",
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},
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{
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"path": "README.md",
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"bytes":
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"sha256": "
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{
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"path": "RELIX-test-001.files.json",
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},
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{
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"path": "RELIX-test-metadata.zip",
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"bytes":
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"sha256": "
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"path": "SOURCE_ATTRIBUTION.md",
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"sha256": "
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"total_bytes":
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"publication_status": "
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}
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"files": [
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{
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"path": "DATASET.json",
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"path": "RELIX-test-001.files.json",
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}
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