writeMSL: Write targets information into a file with mass spectral...
In SIMAT: GC-SIM-MS data processing and alaysis tool

Description Usage Arguments Details Value Author(s) References See Also Examples

This funtion gets the targets information and writes the data in the NIST mass spectral library (MSL) format.

1	writeMSL(Targets = list(), target.file.name = character())

`Targets`	a list including the Targets information, e.g. acquired by `getTarget` function.
`target.file.name`	a character object, i.e. string, of the name of the output file.

NIST mass spectral library, i.e. MSL, data files include compound names and their spectral information. The spectral information consist of number of fragments for each compound, together with the mass and relative and usually normalized intensity of each fragment. Also, the retention time and retention index of the compounds are provided which helps improve the identification by avoding false positives. This functions is used to write the targets information into a file with MSL format.

A logical value

Mo R. Nezami Ranjbar

http://omics.georgetown.edu/SIMAT.html

readMSL, getTarget

    # load targets information
    data(Targets)
                                                
    # write the targets into a file with MSL format
    writeMSL(Targets = Targets, target.file.name = "myTargets.MSL")