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

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

Usage

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