perf(msgfplus): Percolator pin features (Achievement A) + precursor mass calibration (Achievement B)#22

Merged

ypriverol merged 9 commits intodevfrom

feat/msgfplus-perf-ab

Apr 19, 2026

Commits on Apr 19, 2026

feat(pin): add lnDeltaSpecEValue and matchedIonRatio Percolator features

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feat(pin): OpenMS PercolatorAdapter parity — enzN/enzC/enzInt/mass + header renames

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fix(pin): sanitize NaN/Infinity feature values before emitting to Percolator

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feat(mass-cal): SearchParams + DBSearchIOFiles scaffolding for precursorCal

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feat(mass-cal): MassCalibrator class with DBScanner-based residual collection

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feat(mass-cal): wire MassCalibrator into MSGFPlus.runMSGFPlus + ScoredSpectraMap

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fix(mass-cal): size-guard in learnPrecursorShiftPpm to preserve off-mode bit-identity

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test(mass-cal): integration test for -precursorCal off bit-identity gate

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fix(mass-cal): raise size-guard threshold so test.mgf doesn't trip the pre-pass

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