Man pages for hcji/KPIC2
Mass Spectrometry-Based Metabolomics Using Pure Ion Chromatograms

analyst.OPLSAnalyst the peaks with PLS-DA or OPLS-DA
analyst.RFAnalyst the peaks with random forest
fillPeaks.EIBPCidentify missing peaks
getMSget MS of a LC-MS data file.
getPeaksGet peaks of the detected PICs.
getPICExtract PICs from a LC-MS raw object based on m/z difference.
getPIC.kmeansExtract PICs from a LC-MS raw object based on optimal k-means...
getTICsGet TICs of LC-MS data.
groupCombineCombine tailed, isotopic or/and adduct features into the same...
LoadDataLoad an LC-MS data file.
PICsetProcess a set of sample with 'getPIC' method.
PICset.alignAlign each group of PICs.
PICset.getPeaksThe 'getPeaks' function for a set of samples.
PICset.groupgroup the features
PICset.kmeansProcess a set of sample with 'getPIC.kmeans' method.
PICset.splitThe 'PICsplit' function for a set of samples.
PICsplitSpliting multiple-peak trace into single ones
viewAlignView the result of alignment.
viewGroupsView the result of group.
viewMSView MS.
viewPICsView the PICs.
viewTICsView TICs
WMPDReslove overlapped peak based on mass spectrometry.
hcji/KPIC2 documentation built on Sept. 29, 2017, 5:41 a.m.