From: IPO: a tool for automated optimization of XCMS parameters
XCMS method | Parameters |
---|---|
xcmsSet(method = ‘centWave’) | min peakwidth, max peakwidth, ppm, mzdiff |
xcmsSet(method = ‘matchedFilter’) | fwhm, step, steps, snthresh, mzdiff |
retcor(method = ‘obiwarp’) | profStep, gapInit, gapExtend |
group(method = ‘density’) | bw, mzwid, minfrac |