Import data and return the annotated matrix for GC/LC-MS by m/z range and retention time — getmd • enviGCMS

Import data and return the annotated matrix for GC/LC-MS by m/z range and retention time

getmd(data, mzstep = 0.1, mzrange = FALSE, rtrange = FALSE)

Arguments

data: file type which xcmsRaw could handle
mzstep: the m/z step for generating matrix data from raw mass spectral data
mzrange: vector range of the m/z, default all
rtrange: vector range of the retention time, default all

Value

matrix with the row as increasing m/z second and column as increasing scantime

Examples

if (FALSE) {
library(faahKO)
cdfpath <- system.file('cdf', package = 'faahKO')
cdffiles <- list.files(cdfpath, recursive = TRUE, full.names = TRUE)
matrix <- getmd(cdffiles[1])
}