export2CEF {erah}

Export spectra to CEF

Description

Export spectra to CEF format for comparison with the NIST library through MassHunter interface.

Usage

export2CEF(Experiment, export.id = NULL, 
id.database = mslib, store.path = getwd())

Arguments

Experiment

A 'MetaboSet' S4 object containing the experiment.

export.id

If NULL, all the spectra in the experiment will be exported. Otherwise, only the AlignID in export.id will be exported

id.database

The mass-spectra library used in the experiment.

store.path

The path where the converted files are to be exported.