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.