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… ID parser function and strand fallback
Codecov Report❌ Patch coverage is
Additional details and impacted files@@ Coverage Diff @@
## main #12 +/- ##
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+ Coverage 70.46% 71.62% +1.15%
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Files 42 44 +2
Lines 13317 13765 +448
Branches 778 795 +17
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+ Hits 9384 9859 +475
+ Misses 3928 3901 -27
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ProteomIQon has carried a local file (
BioFSharp.Mz_Temp.fs) with newer versions of code that really belongs in this library. This PR moves those parts into BioFSharp.Mz. The code was moved verbatim, only namespaces and a few names were adapted. The versions moved here are the ones ProteomIQon's pipeline tools have been running in production, so where the two codebases had drifted apart, the ProteomIQon behavior wins.What is new
SparsePeakArray (new module)
A sparse, binned representation of peak arrays with a dot product, used for fast spectrum similarity scoring. Comes from ProteomIQon, where ConsensusSpectralLibrary and SWATHAnalysis use it.
SearchDB: lookup by sequence and global modification
Two new functions (
prepareSelectModsequenceBySequenceAndGModandgetThreadSafePeptideLookUpFromFileBySequenceAndGMod) that look up a ModSequence entry by its sequence and GlobalMod value. Until now the library only offered the mass range lookup. The quantification tools need the direct lookup.FDRControl: PEP value machinery
Five functions for posterior error probability estimation (
getLogisticRegressionFunction,createTargetDecoyHis,calculatePEPValues,logitTransformPepValues,initCalculateLin). One adaptation:initCalculateLintakes a plaintrace: string -> unitcallback instead of an NLog logger, so this library gains no logging dependency.What changed in existing code
ProteinInference adopts the newer ProteomIQon behavior:
PSMInputreads its score from theModelScorecolumn (wasPercolatorScore). This matches what PSMStatistics actually writes today.createProteinModelInfoFromEntryreads the GFF3IDattribute (wasName) and falls back toForwardfor unknown strand characters. The old code crashed with a match failure on anything but+or-.assignTranscriptsToGenestakes a parser function (string -> string option) instead of a regex pattern string.isGeneandisRNAare generic over the GFF line type.Everything else (the MAYU FDR functions, the shared inference helpers) was compared function by function against the ProteomIQon versions and confirmed identical, so it stays as is.