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FragmentMassError #44

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swewagner opened this issue Apr 1, 2019 · 0 comments
Open

FragmentMassError #44

swewagner opened this issue Apr 1, 2019 · 0 comments

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@swewagner
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swewagner commented Apr 1, 2019 •
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Metric for QC-Tool (own class)
-should evaluate the Fragment Mass Error for each PepID

Input:
-MSExperiment (mzML)
-FeatureMap (featureXML)?

Output:
-new metavalue per PepID in ppm
-vector

QC class interface:
-Input: MSExperiment
-theoretical spectrum (MSExperiment) for comparison
-set new metavalue in peptideHit
-Output: vector

QC class functions
-compute
-getResults
-requires

corner cases:
-empty data
cbielow pushed a commit that referenced this issue Apr 11, 2019
@poshul
Merge pull request #44 from hendrikweisser/rna-lfq
69bd1f5 
Tidying up loose ends, addressing reviewer comments
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@swewagner