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Add peptide entrapment benchmark and FDP plots - #152

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feat/entrapment-benchmark-20260925
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jspaezp wants to merge 1 commit into
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feat/entrapment-benchmark-20260925

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@jspaezp jspaezp commented Sep 26, 2026

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Summary

  • Generate one shuffled entrapment peptide per eligible tryptic target, with a FDRBench-compatible pair file and FASTA.
  • Build/search the paired library with timsseek, then calculate lower-bound, combined, and paired precursor FDP from results.parquet.
  • Write TSV, PNG, and PDF reports; support plotting an existing TSV without rerunning the search.
  • Document the workflow and generation/prediction defaults.

Checks

  • task fmt
  • uv run --group dev ruff check bench/entrapment.py bench/test_entrapment.py
  • uv run --group dev python -m pytest bench/test_entrapment.py -q (5 passed)
  • Generated plots from a 786,201-row entrapment report.

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