writeMSP {TargetSearch}R Documentation

Save spectra in MSP format to be visualized in NIST

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


[Package TargetSearch version 1.44.0 Index]