tofsims (version 1.0.2)

peakPick: generic method peak.pick

Description

generic method peak.pick

method peakPick

Usage

peakPick(object, span = 100, ...)
## S3 method for class 'MassSpectra':
peakPick(object, span = 100, ...)

Arguments

object

object of class MassSpectra

span

numeric parameter for local max/min detection

...

additional args

Value

• object of class PeakList with updated slots PeakIDs and peakMzs

  object of class PeakList

Details

Method peakPick for MassSpectra class, works as a constructor for PeakList class. The local min/max detection implementation is adapted from the CRAN package 'ChemometricsWithR'.

Examples

library(tofsimsData)
data(tofsimsData)
testSpectra <- reduceSpectrumResolution(object = testSpectra, everyN = 4, mode = 'keep')
testSpectra <- smootherSpline(testSpectra, stepsize = 10, spar = 0.3)
testSpectra <- smootherGolay(testSpectra, p = 3, n = 5)
testSpectra <- peakPick(testSpectra, span = 100)
plot(testSpectra, , mzRange=c(38.5,40.5), type = 'l')