FragmentMassError #44
Description
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