tofsims (version 1.0.2)

peaks2Spectra: generic method peaks2Spectra

Description

peaks2Spectra allows to transfer the peaks from a PeakList object onto a MassSpectra object. By this, the MassSpectra object is promoted into a PeakList object

Usage

peaks2Spectra(objectPeaks, objectSpectra)
## S3 method for class 'PeakList,MassSpectra':
peaks2Spectra(objectPeaks, objectSpectra)

Arguments

objectPeaks

object object of class PeakList

objectSpectra

object object of class MassSpectra

Value

• object of class PeakList

Examples

library(tofsimsData)
data(tofsimsData)
testSpectra<-reduceSpectrumResolution(testSpectra,everyN = 4, mode = 'keep')
peakPickSpectra<-testSpectra
peakPickSpectra<-calibPointNew(peakPickSpectra, mz = 15, value = 15.01551)
peakPickSpectra<-calibPointNew(peakPickSpectra, mz = 181, value = 181.0228)
peakPickSpectra<-recalibrate(peakPickSpectra)
peakPickSpectra<-unitMassPeaks(peakPickSpectra, mzRange = c(1,200), widthAt = c(15, 181), 
factor = c(0.4, 0.6), lower = c(14.97, 15.05), upper = c(180.84, 181.43))
par(mfcol = c(1,2))
plot(testSpectra, mzRange = c(38.5, 40.5), type = 'l')
testSpectra<-peaks2Spectra(peakPickSpectra, testSpectra)
plot(testSpectra, mzRange = c(38.5, 40.5), type = 'l')