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Peptide Level PEP-Q Value changes #2431

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merged 13 commits into from
Oct 31, 2024

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Alexander-Sol
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@Alexander-Sol Alexander-Sol commented Oct 28, 2024

This PR changes the way PSMs are rolled up to peptides for the purpose of PEP-Q Value calculations.

When calculating PEPQ Values at the peptide level, you first have to select the a PSM to represent each full sequence (peptide/proteoform). Previously, PSMs were selected based on their MetaMorpheus score. Now, PSMs will be selected based on PEP (lowest PEP PSM represents the full sequence, MetaMorpheus score is used as a tie-breaker).

The AllPeptides/AllProteoforms outputs will change as a result of this PR. The PSM with the lowest PEP will be used to represent each peptides. The output will still be ordered by MetaMorpheus score. All entries will have a PEP-Q value <= 1.

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codecov bot commented Oct 28, 2024

Codecov Report

All modified and coverable lines are covered by tests ✅

Project coverage is 93.73%. Comparing base (32658b1) to head (889c357).
Report is 1 commits behind head on master.

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@@           Coverage Diff           @@
##           master    #2431   +/-   ##
=======================================
  Coverage   93.73%   93.73%           
=======================================
  Files         141      141           
  Lines       21871    21873    +2     
  Branches     2998     2998           
=======================================
+ Hits        20500    20502    +2     
  Misses        922      922           
  Partials      449      449           
Files with missing lines Coverage Δ
...pheus/EngineLayer/FdrAnalysis/FdrAnalysisEngine.cs 97.58% <100.00%> (ø)
MetaMorpheus/TaskLayer/FilteredPsms.cs 96.80% <100.00%> (+0.06%) ⬆️

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@trishorts trishorts left a comment

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surprised that no unit tests needed an update

@trishorts trishorts merged commit 7dafd00 into smith-chem-wisc:master Oct 31, 2024
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3 participants