enviGCMS (version 0.7.1)

writeMSP: Write MSP file for NIST search

Description

Write MSP file for NIST search

Usage

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

Value

none a MSP file will be created.

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

Examples

if (FALSE) {
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')
}