Blame for stats.json

{
 "release": {
  "name": "ultrams_msnlib_benchmark_v1",
  "title": "UltraMS MSnLib benchmark: full-library formula-level split (A) and strict-adduct molecule-level library-search split (B)",
  "version": "1.0.0",
  "date": "2026-11-04",
  "license": "CC BY 4.0",
  "file_count_excluding_stats_and_sums": 59,
  "bytes_excluding_stats_and_sums": 194215545,
  "csv_and_csv_gz_pairs": 16,
  "documentation": [
   "README.md",
   "figures_mapping.md",
   "VERIFY.md",
   "NOTICE.md"
  ]
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 "source": {
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   "csv_line_to_data_row": "physical line = data row + 2 (header = line 1, no embedded newlines)",
   "distribution": "distributed with the Hugging Face dataset placeholder dsadd4/UltraMS-MSnLib-Benchmark"
  },
  "msnlib_original_release": {
   "citation": "Brungs C., Schmid R., Pluskal T. MSnLib: efficient generation of open multi-stage fragmentation mass spectral libraries. Nature Methods (2025), doi:10.1038/s41592-025-02813-0.",
   "zenodo_record": "10.5281/zenodo.11163380",
   "license": "CC BY 4.0",
   "format": "18 per-file MS2 JSONL record lists (*_ms2.json)",
   "n_files": 18,
   "n_records_total": 560084,
   "n_records_equals_csv_data_rows": true
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   "sha256": "125a1cdcc57a3fcef8cc76d5322ac0c434cd09b0bfb9e0c9d28bddf052f45fcc",
   "content": "JSON object mapping a query SMILES string to its candidate SMILES list (9,886 query entries)",
   "purpose": "candidate SMILES lists behind the single-spectrum candidate-ranking task (Figure 3a/3b/3d/3g)",
   "hosted": "Hugging Face dataset dsadd4/UltraMS-MSnLib-Benchmark (not part of this manifest)"
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   "role": "source of the compact retention-time table split_A_full_msnlib/msnlib_rt.csv.gz",
   "alignment": "first seven columns identical to MSnLib.csv row-by-row in the same order (560,084 rows, 0 mismatches, 0 unparsable RT values)"
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 "hosted_files": {
  "note": "the manifest files are listed in stats.files; the two large source files are hosted alongside them in the Hugging Face dataset and are not duplicated here",
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    "purpose": "full source CSV: one row per MSnLib spectrum; all row_index / msnlib_csv_data_row pointers resolve here"
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