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Archive 4 checkpoints (1-4)

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paper-releases/pbisc-diffusion/updates/20261005T121346Z-scsemi-cv-budget-interim/diffusion/dataset/server_1/model8/plans/paired_finetune_intradataset_20260927/scores/ji2025_chili/scsemi_cv_20261002/fold0/per_donor.csv ADDED
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paper-releases/pbisc-diffusion/updates/20261005T121346Z-scsemi-cv-budget-interim/diffusion/dataset/server_1/model8/plans/paired_finetune_intradataset_20260927/scores/ji2025_chili/scsemi_cv_20261002/fold0/summary.json ADDED
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+ "pseudobulk_log1p_cpm": {
340
+ "per_type": {
341
+ "T cell": {
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+ "r_generated": 0.05959417993720579,
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+ "r_broadcast": 0.2115266020201074,
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+ "partial_r_generated_given_broadcast": 0.03960278050030513,
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+ "r_generated_vs_broadcast": 0.09965749406757335,
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+ "n_genes": 3081
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+ },
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+ "B cell": {
349
+ "r_generated": 0.005882560106885731,
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+ "r_broadcast": 0.09605664241926874,
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+ "partial_r_generated_given_broadcast": -0.0018279897291521405,
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+ "r_generated_vs_broadcast": 0.0801219685617723,
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+ "n_genes": 3220
354
+ },
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+ "Monocyte": {
356
+ "r_generated": 0.2608408550174998,
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+ "r_broadcast": 0.2959365090443363,
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+ "partial_r_generated_given_broadcast": 0.21716220890567287,
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+ "r_generated_vs_broadcast": 0.193745530834027,
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+ "n_genes": 3042
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+ },
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+ "NK cell": {
363
+ "r_generated": 0.09528908236669889,
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+ "r_broadcast": 0.10464207300269963,
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+ "partial_r_generated_given_broadcast": 0.08469322622740773,
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+ "r_generated_vs_broadcast": 0.11064359703897245,
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+ "n_genes": 3093
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+ }
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+ },
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+ "mean_r_generated": 0.10540166935707254,
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+ "mean_r_broadcast": 0.17704045662160303,
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+ "mean_partial_r": 0.0849075564760584
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+ }
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+ },
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+ "deg_top50": {
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+ "types_scored": [
377
+ "T cell",
378
+ "B cell",
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+ "Monocyte",
380
+ "NK cell",
381
+ "DC"
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+ ],
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+ "types_not_scored": {},
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+ "per_type": {
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+ "T cell": {
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+ "deg_scored": true,
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+ "top50_overlap": 0,
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+ "top50_jaccard": null,
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+ "obs_top_list_size": 0,
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+ "gen_top_list_size": 0,
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+ "top50_overlap_broadcast": 0,
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+ "top50_jaccard_broadcast": null,
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+ "n_cells_obs": 9937,
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+ "n_cells_gen": 5126
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+ },
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+ "B cell": {
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+ "deg_scored": true,
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+ "top50_overlap": 0,
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+ "top50_jaccard": null,
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+ "obs_top_list_size": 0,
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+ "gen_top_list_size": 0,
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+ "top50_overlap_broadcast": 0,
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+ "top50_jaccard_broadcast": null,
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+ "n_cells_obs": 2420,
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+ "n_cells_gen": 627
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+ },
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+ "Monocyte": {
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+ "deg_scored": true,
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+ "top50_overlap": 0,
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+ "top50_jaccard": null,
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+ "obs_top_list_size": 0,
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+ "gen_top_list_size": 0,
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+ "top50_overlap_broadcast": 0,
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+ "top50_jaccard_broadcast": null,
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+ "n_cells_obs": 9477,
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+ "n_cells_gen": 2070
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+ },
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+ "NK cell": {
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+ "deg_scored": true,
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+ "top50_overlap": 0,
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+ "top50_jaccard": null,
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+ "obs_top_list_size": 0,
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+ "gen_top_list_size": 0,
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+ "top50_overlap_broadcast": 0,
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+ "top50_jaccard_broadcast": null,
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+ "n_cells_obs": 2081,
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+ "n_cells_gen": 1812
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+ },
429
+ "DC": {
430
+ "deg_scored": true,
431
+ "top50_overlap": 0,
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+ "top50_jaccard": 0.0,
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+ "obs_top_list_size": 50,
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+ "top50_overlap_broadcast": 0,
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+ "top50_jaccard_broadcast": 0.0,
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+ "n_cells_obs": 318,
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+ "n_cells_gen": 668
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+ }
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+ },
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+ "sum": 0,
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+ "sum_4type": 0,
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+ "max": 50,
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+ "mean": 0.0,
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+ "sum_broadcast": 0,
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+ "sum_broadcast_4type": 0,
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+ "broadcast_n_significant": 0,
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+ "seconds": 0.02
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+ },
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+ "seconds": 4.5
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+ }
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+ },
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+ "code_sha256": {
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paper-releases/pbisc-diffusion/updates/20261005T121346Z-scsemi-cv-budget-interim/diffusion/dataset/server_1/model8/plans/paired_finetune_intradataset_20260927/scores/ji2025_chili/scsemi_cv_20261002/fold1/README.md ADDED
@@ -0,0 +1,73 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ # score_ft.py output: ji2025_chili, 6 scored donors
2
+
3
+ Arms: scsemi__raw. Every arm is scored on the same donors against the same observed reference.
4
+
5
+ ## Inputs and fixed contracts
6
+ - Observed reference: `/home/sj_server_1/PBISC/immun-pbmc-fm/model_8_sparse_data_diffusion/plans/paired_finetune_intradataset_20260927/scoring_cache/ji2025_chili/reference.npz` (sha 19c30f56db69), built from datadir:/home/sj_server_1/PBISC/immun-pbmc-fm/model_8_sparse_data_diffusion/plans/paired_finetune_intradataset_20260927/data/ji2025_chili;
7
+ observed cells sum exactly to the features pseudobulk of every donor. Observed labels: /home/sj_server_1/PBISC/immun-pbmc-fm/model_8_sparse_data_diffusion/plans/paired_finetune_intradataset_20260927/scoring_cache/ji2025_chili/observed_labels/labels/labels.parquet.
8
+ - Generated cells: `generated_counts` read out once with Poisson(seed 20260916) over the **whole NPZ in row order**
9
+ (`poisson_readout.poisson_integerise`), then the scored donors' rows. These integer counts are used for labels, embedding,
10
+ depth and the contrast. Pseudobulk uses the summed `generated_counts` (rates), as `score_generated.py`.
11
+ - Labels: frozen f01common scANVI (`predict_scanvi.py`, CPU, zero query epochs), six-type gate ['T cell', 'B cell', 'Monocyte', 'NK cell', 'DC', 'Other']; query genes =
12
+ the 1,006-gene annotation list minus genes the dataset's sc assay did not measure in every sample (1004 genes).
13
+ - Scoring genes: 6k panel genes measured by both assays in every sample of the dataset (5752 genes).
14
+
15
+ ## Definitions
16
+ 1. **Composition**: fraction of each donor's cells per six-type label (all generated cells; all observed QC cells).
17
+ `comp_l1` = sum over the six labels of |generated - observed| (immicro_common.l1). `comp_l1_obs_loo_null` = L1 of the
18
+ donor's observed composition to the mean of the *other scored donors'* observed compositions. `composition_top1` =
19
+ fraction of donors whose generated composition is closest (L1) to their own observed composition.
20
+ 2. **Pseudobulk**: `pb_r` = Pearson r of CPM-log1p(summed generated_counts) vs CPM-log1p(observed pseudobulk) on the scoring
21
+ genes (evaluate_realbulk.cpm_log1p / paired_r). `pb_top1` = the donor's generated pseudobulk is closest (Pearson) to its own
22
+ observed pseudobulk among the 6 scored donors (immicro_common.retrieval = evaluate_realbulk.top1 arithmetic).
23
+ 3. **Precision / coverage / density** (stage_b_embed.py functions): per-cell CP10K over the scoring genes + log1p; PCA-50
24
+ (randomized, random_state 20260925) and k = 10 real-real k-NN balls fitted on **R1 of the scored donors only**.
25
+ Reference rule (independent of fold and arm): per donor, cells in canonical order (library_id+barcode), one
26
+ permutation from `default_rng([20260925, uint64(sha256(donor)[:8])])`; R1 = first n, R2 = next n,
27
+ n = min(150, n_cells // 2) (900 R1 cells here). Generated query: per donor n cells (the donor's R1 size),
28
+ without replacement, `default_rng([20260926, same key])`. Precision = fraction of generated cells inside any R1 ball
29
+ (Kynkaanniemi 2019); coverage = fraction of R1 cells whose ball holds a generated cell; density = Naeem 2020.
30
+ Per-donor precision = that donor's generated cells; per-donor coverage = that donor's R1 cells (the pooled values are
31
+ their n-weighted means; plain means when every donor has 150 reference cells). R2 (held-out real cells of the same donors) is the
32
+ perfect-generator control: precision 1.0000, coverage 1.0000.
33
+ **Depth matched**: stage_b_embed depth matching run pairwise (R1 vs this arm): per donor and within-donor rank of detected
34
+ genes, both cells are thinned by UMI sampling without replacement to the smaller detected-gene count; PCA kept from
35
+ un-thinned R1, radii recomputed on thinned R1; fresh rng(20260929) per arm. R2 control: precision
36
+ 1.0000, coverage 1.0000.
37
+ 4. **Monocyte %** = 100 x Monocyte fraction (all cells) per donor; **median UMI per cell** = median over cells of the
38
+ Poisson-read (generated) / observed counts summed over the scoring genes (per donor, and pooled).
39
+ 5. **Group contrast** (T, B, Monocyte, NK): case groups ['TOL', 'FU1'] (n = 3) vs control groups ['BC', 'AC'] (n = 3); rule: explicit --case-groups / --control-groups; groups from features groups.
40
+ Genes per type = scoring genes detected (count > 0) in >= 1 % of the scored donors' observed
41
+ cells of that type. Primary statistic `mean_cp10k`: per-cell CP10K over the scoring genes; per donor the mean over its
42
+ cells of the type (donors with >= 1 such cell); group mean = mean over the group's donors (donor-balanced);
43
+ logFC = log2(case mean + 1) - log2(control mean + 1). Secondary `pseudobulk_log1p_cpm`: the SLE benchmark evaluator's
44
+ statistic (donor x type summed counts, log1p CPM over the scoring genes, mean case - mean control;
45
+ evaluate_generated_vs_truth.group_log_fold_change). Both are computed on the generated cells (their frozen labels) and on
46
+ the observed cells; `r_generated` = Pearson r of the two logFC vectors. Broadcast baseline `r_broadcast`: the same
47
+ observed vector against the logFC of the input bulk (condition NPZ `bulk_counts` of the arm, scoring genes, per-donor
48
+ CP10K resp. log1p CPM, group means). `partial_r_generated_given_broadcast`: r of the OLS residuals of observed and
49
+ generated logFC on the bulk logFC (residual_specificity.py).
50
+ 6. **Top-50 DEG overlap** (contrast.csv rows `statistic = welch_top50_deg`; summary `deg_top50`): the SLE benchmark's score (`total_top50_overlap` of
51
+ `bulk2sc-paper/scripts/evaluate_generated_vs_truth.py`, Welch backend: the "top-50 DEG 81 / 84" of the final model), run
52
+ with the evaluator's own functions on the same donor x type pseudobulks as the contrast. Per cell type, observed and
53
+ generated separately: donor x type summed counts on all 5752 scoring genes (donors of the two groups with
54
+ >= 1 cell of the type) -> `welch_bh_deg` (log1p CPM, two-sided Welch t-test case vs control, Benjamini-Hochberg over the
55
+ genes with a defined p-value; needs >= 2 donors per group) -> `top_deg_genes` (FDR < 0.05, descending |logFC|,
56
+ first 50; shorter when fewer genes pass). `top50_overlap` = |observed list & generated list|; `top50_jaccard`
57
+ the evaluator's Jaccard. Summary `sum` = total over the scored types (the quantity reported as 81), `max` = the sum of
58
+ the observed list lengths (the "of 262"), `sum_4type` = T + B + Monocyte + NK. A type is scored when its observed test
59
+ is defined; an arm whose generated test is undefined for a scored type gets overlap 0. Types: T cell, B cell, Monocyte, NK cell, DC
60
+ (aggregates: /home/sj_server_1/PBISC/immun-pbmc-fm/model_8_sparse_data_diffusion/plans/paired_finetune_intradataset_20260927/scoring_cache/ji2025_chili/deg_reference.npz).
61
+ **Broadcast analogue** (`top50_overlap_broadcast`, as `sle_broadcast.py` `broadcast_input_bulk`; not part of the
62
+ published benchmark): the same test on the arm's condition bulk_counts (scoring genes, the 3 + 3
63
+ donors), one whole-PBMC top-50 list, compared with every type's observed list.
64
+
65
+ ## Files
66
+ - `per_donor.csv`: one row per arm x donor (all per-donor quantities above).
67
+ - `summary.json`: per arm the donor means / pooled values, provenance (NPZ sha, receipt check, generation metadata,
68
+ Poisson nnz of the whole NPZ, annotation contract), and the reference block (PCA, R2 control).
69
+ - `contrast.csv`: per arm x cell type x statistic (`mean_cp10k`, `pseudobulk_log1p_cpm`: logFC r; `welch_top50_deg`:
70
+ top-50 DEG overlap, T / B / Monocyte / NK / DC; columns of the other kind are empty).
71
+ - `arms/<arm>/labels/` (predict_scanvi.py labels + manifest), `arms/<arm>/generated_cells.parquet` (NPZ row, donor, label,
72
+ UMI on the scoring genes, P/C subsample flag), `arms/<arm>/deg_top50_lists.csv` (observed, generated and broadcast
73
+ top-50 gene lists, Ensembl ids, rank order).
paper-releases/pbisc-diffusion/updates/20261005T121346Z-scsemi-cv-budget-interim/diffusion/dataset/server_1/model8/plans/paired_finetune_intradataset_20260927/scores/ji2025_chili/scsemi_cv_20261002/fold1/contrast.csv ADDED
@@ -0,0 +1,14 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ arm,celltype,statistic,n_genes,r_generated,r_broadcast,partial_r_generated_given_broadcast,r_generated_vs_broadcast,n_case_donors_obs,n_control_donors_obs,n_case_donors_gen,n_control_donors_gen,n_cells_obs,n_cells_gen,deg_scored,top50_overlap,top50_jaccard,obs_top_list_size,gen_top_list_size,n_sig_obs,n_sig_gen,top50_overlap_broadcast,top50_jaccard_broadcast,broadcast_top_list_size,n_sig_broadcast
2
+ scsemi__raw,T cell,mean_cp10k,2886,0.08710899733854235,0.0974832995921796,0.058682989387564256,0.3275078807006967,3,3,3,3,13445,4827,,,,,,,,,,,
3
+ scsemi__raw,T cell,pseudobulk_log1p_cpm,2886,0.09157260875211974,0.12834064515855614,0.057197735406139816,0.2906006774777449,3,3,3,3,13445,4827,,,,,,,,,,,
4
+ scsemi__raw,B cell,mean_cp10k,3179,0.26040977701643203,0.1565939262890353,0.2303479441890876,0.2601411042071766,3,3,3,3,1557,380,,,,,,,,,,,
5
+ scsemi__raw,B cell,pseudobulk_log1p_cpm,3179,0.11074180098026187,0.06269765547587812,0.10138106044202859,0.17835693068730563,3,3,3,3,1557,380,,,,,,,,,,,
6
+ scsemi__raw,Monocyte,mean_cp10k,3152,0.15450473249589533,0.3167845727193329,0.040320926524732285,0.3758533342598298,3,3,3,3,4852,2140,,,,,,,,,,,
7
+ scsemi__raw,Monocyte,pseudobulk_log1p_cpm,3152,0.10542205007598027,0.26881008026051,0.03408140378193626,0.2747608986132983,3,3,3,3,4852,2140,,,,,,,,,,,
8
+ scsemi__raw,NK cell,mean_cp10k,3122,0.07560628018139051,0.10009055515705502,0.049298272810500754,0.2857488251226578,3,3,3,3,3312,1170,,,,,,,,,,,
9
+ scsemi__raw,NK cell,pseudobulk_log1p_cpm,3122,0.0016043570591733796,0.06711575520388033,-0.015368636376876335,0.24538943521053888,3,3,3,3,3312,1170,,,,,,,,,,,
10
+ scsemi__raw,T cell,welch_top50_deg,5752,,,,,3,3,3,3,13445,4827,True,0,,0,0,0,0,0,,0,0
11
+ scsemi__raw,B cell,welch_top50_deg,5752,,,,,3,3,3,3,1557,380,True,0,0.0,1,0,1,0,0,0.0,0,0
12
+ scsemi__raw,Monocyte,welch_top50_deg,5752,,,,,3,3,3,3,4852,2140,True,0,,0,0,0,0,0,,0,0
13
+ scsemi__raw,NK cell,welch_top50_deg,5752,,,,,3,3,3,3,3312,1170,True,0,,0,0,0,0,0,,0,0
14
+ scsemi__raw,DC,welch_top50_deg,5752,,,,,3,3,3,3,313,245,True,0,,0,0,0,0,0,,0,0