getmd: Import data and return the annotated matrix for GC/LC-MS by...

In enviGCMS: GC/LC-MS Data Analysis for Environmental Science

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

Description

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

## Not run: 
library(faahKO)
cdfpath <- system.file('cdf', package = 'faahKO')
cdffiles <- list.files(cdfpath, recursive = TRUE, full.names = TRUE)
matrix <- getmd(cdffiles[1])

## End(Not run)

enviGCMS documentation built on Feb. 16, 2023, 8:08 p.m.