## find path to a mzXML file
file <- dir(system.file(package = "MSnbase", dir = "extdata"),
full.name = TRUE, pattern = "mzXML$")
## create basic MSnExp
msexp <- readMSData(file)
## centroid them
msexp <- pickPeaks(msexp)
## plot the first against the second spectrum
plot(msexp[[1]], msexp[[2]])
## add sequence information
plot(msexp[[1]], msexp[[2]], sequences=c("VESITARHGEVLQLRPK",
"IDGQWVTHQWLKK"))
itraqdata2 <- pickPeaks(itraqdata)
(k <- which(fData(itraqdata2)[, "PeptideSequence"] == "TAGIQIVADDLTVTNPK"))
mzk <- precursorMz(itraqdata2)[k]
zk <- precursorCharge(itraqdata2)[k]
mzk * zk
plot(itraqdata2[[k[1]]], itraqdata2[[k[2]]])
Run the code above in your browser using DataLab