Man pages for ohgane/ShotgunLipidomicsR
Utility Functions for Analysis/Visualization of ShotgunLipidomics Data.

constructPISConstruct precursor ion scan data from multiple xcmsRaw...
convertXFrag2MgfConvert 'xcmsFragments' object into a list (MGF format)
correctLXnegSpecies ratio correction for LipidXplorer identification...
correctPrecursorMzPrecursor m/z correction of xcmsRaw object imported from mzML...
extractScanInfoA function that extracts scan header information from a mzML...
findScansA function that returns scan indexes from a precursor m/z...
fuzzyMatchA function that performs matching with a fixed tolerance, and...
getPeaksAvgMS1A function to pick peaks from an averaged MS1 spectrum from a...
getSpec_modifiedModification to xcms::getSpec()
mzFACalculate exact mass for fatty acid
plotAvgMS1A function to plot averaged MS1 spectrum from a 'xcmsRaw'...
plotAvgMS2Plot averaged MS2 spectrum for a selected m/z or scans
plotIsotopePlot isotope patterns
plotPISPlot PIS data set (comparison of two spectra)
plotSliceMS2Plot "precursor ion scan"- or "neutral loss scan"-like...
writeMgfA function that export mgf file from filename, precursor mz,...
xcmsAvgHyperSpecA function that retrieve averaged spectra from a xcmsRaw...
xcmsrawAucCalculate area under the curve from 'xcmsRaw' object
xcmsTICHyperSpecA function that retrieve TIC from a list of xcmsRaw objects...
ohgane/ShotgunLipidomicsR documentation built on May 23, 2017, 7:10 p.m.