writeMSP: Save spectra in MSP format to be visualized in NIST

In TargetSearch: A package for the analysis of GC-MS metabolite profiling data

Description

This function creates MSP format file from peak intensities that can be viewed with NIST.

Usage

writeMSP(metlib, metprof, file, append = FALSE)

Arguments

metlib	A tsLib object. A metabolite library.
metprof	A tsProfile object. Usually the ouput of Profile or ProfileCleanUp functions.
file	A string naming the output file.
append	Logical. If TRUE the results will be appended to file. Otherwise, it will overwrite the contents of file.

Author(s)

Alvaro Cuadros-Inostroza

See Also

peakFind, Profile, ProfileCleanUp, tsLib, tsMSdata, tsProfile

TargetSearch documentation built on March 12, 2021, 2 a.m.