enviGCMS (version 0.7.1)

submd: Get the differences of two GC/LC-MS data

Description

Get the differences of two GC/LC-MS data

Usage

submd(data1, data2, mzstep = 0.1, rtstep = 0.01)

Value

list four matrix with the row as scantime in second and column as m/z, the first matrix refer to data 1, the second matrix refer to data 2, the third matrix refer to data1 - data2 while the fourth refer to data2 - data1, minus values are imputed by 0

Arguments

data1

data file path of first data

data2

data file path of second data

mzstep

the m/z step for generating matrix data from raw mass spectral data

rtstep

the alignment accuracy of retention time, e.g. 0.01 means the retention times of combined data should be the same at the accuracy 0.01s. Higher rtstep would return less scans for combined data

Examples

if (FALSE) {
library(faahKO)
cdfpath <- system.file('cdf', package = 'faahKO')
cdffiles <- list.files(cdfpath, recursive = TRUE, full.names = TRUE)
matrix <- submd(cdffiles[1],cdffiles[7])
}