matchms.exporting package

Functions for exporting mass spectral data

Individual Spectrum(), or lists of Spectrum() can be exported to json, mgf, or msp files.

matchms.exporting.save_as_mzspeclib(spectra: List[Spectrum], filename: str) → None

Save a list of spectra to a file in mzSpecLib format.

Parameters: spectra (List[Spectrum]): List of Spectrum objects to save. filename (str): The name of the file to save the spectra to.

Submodules

• matchms.exporting.metadata_export module
  • export_metadata_as_csv()
  • get_metadata_as_array()
• matchms.exporting.save_as_json module
• matchms.exporting.save_as_mgf module
• matchms.exporting.save_as_msp module
• matchms.exporting.save_as_mzspeclib module
  • save_as_mzspeclib()
• matchms.exporting.save_spectra module
  • save_as_pickled_file()