smith-chem-wisc / MetaMorpheus

Proteomics search software with integrated calibration, PTM discovery, bottom-up, top-down and LFQ capabilities
MIT License
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new style computation of pep q-value #2376

Open trishorts opened 2 weeks ago

trishorts commented 2 weeks ago

Currently, the pep q-value is computed by summing the pep and dividing by row number for psms or peptides sorted in descending order by MetaMorpheus score.

In this PR, pep is used to re-score the psms/peptides. PSMs are sorted in ascending order (good to bad) and then pep q-value is computed from bottom to top like we recently did for q-value using the formula (cumulative decoy count + 1) / cumulative target count).