Man pages for ohgane/ShotgunLipidomicsR
Utility Functions for Analysis/Visualization of ShotgunLipidomics Data.
| constructPIS | Construct precursor ion scan data from multiple xcmsRaw... |
| convertXFrag2Mgf | Convert 'xcmsFragments' object into a list (MGF format) |
| correctLXneg | Species ratio correction for LipidXplorer identification... |
| correctPrecursorMz | Precursor m/z correction of xcmsRaw object imported from mzML... |
| extractScanInfo | A function that extracts scan header information from a mzML... |
| findScans | A function that returns scan indexes from a precursor m/z... |
| fuzzyMatch | A function that performs matching with a fixed tolerance, and... |
| getPeaksAvgMS1 | A function to pick peaks from an averaged MS1 spectrum from a... |
| getSpec_modified | Modification to xcms::getSpec() |
| mzFA | Calculate exact mass for fatty acid |
| plotAvgMS1 | A function to plot averaged MS1 spectrum from a 'xcmsRaw'... |
| plotAvgMS2 | Plot averaged MS2 spectrum for a selected m/z or scans |
| plotIsotope | Plot isotope patterns |
| plotPIS | Plot PIS data set (comparison of two spectra) |
| plotSliceMS2 | Plot "precursor ion scan"- or "neutral loss scan"-like... |
| writeMgf | A function that export mgf file from filename, precursor mz,... |
| xcmsAvgHyperSpec | A function that retrieve averaged spectra from a xcmsRaw... |
| xcmsrawAuc | Calculate area under the curve from 'xcmsRaw' object |
| xcmsTICHyperSpec | A function that retrieve TIC from a list of xcmsRaw objects... |
