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MS2 Identification Rate #34

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swewagner opened this issue Mar 18, 2019 · 0 comments
Open

MS2 Identification Rate #34

swewagner opened this issue Mar 18, 2019 · 0 comments

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@swewagner
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Metric for new QC-Tool (own class):
-should compute the MS2 Identification Rate

input data:
-A) idXML after FDR: number of PeptideIDs with at least one PeptideHit with match to TargetDB
-B) raw mzML: number of MS spectra where mslevel== 2

output data: (per file pair)
-filename; A; B; ratio A/B

Class Interface:
-input: A) vector, B) MSExperiment or subset (like MSSpectrum)
-output: Struct with four members ( filename; A; B; ratio)

corner cases:
-FDR should be done
-should be more spectra than peptideIdentifications
-data should not be empty

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