matchms.exporting.metadata_export module

matchms.exporting.metadata_export.export_metadata_as_csv(spectra: list[Spectrum], filename: str, include_fields: list[str] | None = None, delimiter: str = ',')

Export metadata to csv file.

Parameters:

• spectra – Expected input is a list of Spectrum objects.

• filename – Provide filename to save metadata of spectrum(s) as csv file.

• include_fields – Columns to include.

• delimiter – delimiter to use in the csv file, default is comma (“,”).

matchms.exporting.metadata_export.get_metadata_as_array(spectra: list[Spectrum]) → tuple[array, list[str]]

Extract union of all metadata as numpy array from all spectra.

Parameters:

• spectra – Spectra from which to collect metadata.

• Returns – tuple[np.array, list[str]]: Metadata and union of all columns detected in all spectra.