xcms (version 1.48.0)

getPeaks-methods: Get peak intensities for specified regions

Description

Integrate extracted ion chromatograms in pre-defined defined regions. Return output similar to findPeaks.

Arguments

object

the xcmsSet object

peakrange

matrix or data frame with 4 columns: mzmin, mzmax, rtmin, rtmax (they must be in that order or named)

step

step size to use for profile generation

Value

A matrix with columns:

i

rank of peak identified in merged EIC (<= max), always NA

mz

weighted (by intensity) mean of peak m/z across scans

mzmin

m/z of minimum step

mzmax

m/z of maximum step

ret

retention time of peak midpoint

retmin

leading edge of peak retention time

retmax

trailing edge of peak retention time

into

integrated area of original (raw) peak

intf

integrated area of filtered peak, always NA

maxo

maximum intensity of original (raw) peak

maxf

maximum intensity of filtered peak, always NA

Methods

object = "xcmsRaw"

getPeaks(object, peakrange, step = 0.1)

See Also

xcmsRaw-class