calibMS1: Convert CFM file to MGF some stufff

In tonedivad/metaboGoS: Metabolomics

Usage

calibMS1(filein, lmzcalib, dppm = 20, bw = 2.5, minpts = 31,
  bkpoint = median(calInt), calInt = c(70, 500), typ = 1, doPlot = T,
  retMat = F)

Arguments

filein	Path to the input file or xcmsRaw object
lmzcalib	Calibration masses or method name in BGIons
dppm	Mass error
bw	Bandwidth to group masses
minpts	Minimum of points
bkpoint	breakpoint mass to calculate robust regression
calInt	calibration interval to compute
doPlot	should plot

Value

list of matches and calibration function/paramters

tonedivad/metaboGoS documentation built on May 31, 2019, 6:21 p.m.