Write MSP file for NIST search — writeMSP • enviGCMS

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

if (FALSE) { # \dontrun{
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')
} # }