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XCMS Online / Re: Wiff file issues
Code: [Select]
library(xcms)
files <- list.files(pattern="*.mzML")
for (file in files) {
mzdata <- paste(file, ".mzData", sep="")
if (! file.exists(mzdata)) {
xr <- xcmsRaw(file)
scans <- length(xr@scanindex)
tags <- c("MS1", "MS1B", "MS2A", "MS2B")
f <- rep(tags, scans/length(tags)+1)[1:scans]
xrs <- split(xr, f=f)
xr1 <- xrs[["MS1"]]
write.cdf(xr1, sprintf("MS1_%s.cdf", file))
}
}