I'm looking for a PostDoc with an interest in the analysis of large scale (population) metabolomics data and its integration with proteomics and genotype data.
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BiocManager::install(version = "3.10")
## Subset to one file, assuming xdata is an XCMSnExp with identified chrom peaks
xdata_1 <- filterFile(xdata, 1)
chrs <- chromatogram(xdata_1, rt = chromPeaks(xdata_1)[, c("rtmin", "rtmax")],
mz = chromPeaks(xdata_1)[, c("mzmin", "mzmax")])
## median number of scans for all peaks in a the file
devtools::install_github("sneumann/xcms", ref = "RELEASE_3_8")