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Q value threshold adjustment and bug fix #2426
Q value threshold adjustment and bug fix #2426
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Codecov ReportAttention: Patch coverage is
Additional details and impacted files@@ Coverage Diff @@
## master #2426 +/- ##
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- Coverage 93.73% 93.69% -0.04%
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Files 141 141
Lines 21873 21883 +10
Branches 2998 3001 +3
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+ Hits 20502 20504 +2
- Misses 922 927 +5
- Partials 449 452 +3
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the QvalueThresholdOverride property and associated field are a little wonky, I suggest changing it to a property with public get; private set;, then changing it in the relevant tests using reflection. Also, add the non-parallelizable tags
…justmentAndBugFix
…justmentAndBugFix
…om/trishorts/MetaMorpheus into qValueThresholdAdjustmentAndBugFix
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Looks good
This PR changes the threshold used for using the more stringent and correct q-value calculation (D+1)/T to a total of 1000 PSMs. Below that level we use D/T. This will help with top-down files that contain fewer PTMs. It is hoped that in the future, we can eliminate this threshold and use one threshold for all. Some PRs that might help would be paired target-decoy and decoy on the fly using 10X decoys.
An threshold override was also added to FdrAnalysisEngine that enables it to compute PEP when desired for lists of PSMs <1000 used "Reflection"
For reference on the equation please see:
J Proteome Res. 2022 Oct 7;21(10):2412-2420. doi: 10.1021/acs.jproteome.2c00282. Epub 2022 Sep 27.
https://pubmed.ncbi.nlm.nih.gov/36166314/
Traditional Q-Value (D/T) for PSM Count < 1000