writeMSP: Write MSP file for NIST search
In enviGCMS: GC/LC-MS Data Analysis for Environmental Science

writeMSP

R Documentation

Write MSP file for NIST search

Description

Write MSP file for NIST search

Usage

writeMSP(list, name = "unknown", sep = FALSE)

Arguments

`list`	a list with spectra information
`name`	name of the compounds
`sep`	numeric or logical the numbers of spectra in each file and FALSE to include all of the spectra in one msp file

Value

none a MSP file will be created.

Examples

## Not run: 
ins <- c(10000,20000,10000,30000,5000)
mz <- c(101,143,189,221,234)
writeMSP(list(list(spectra = cbind.data.frame(mz,ins))), name = 'test')

## End(Not run)

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