matchms.filtering.metadata_processing.derive_ionmode module

matchms.filtering.metadata_processing.derive_ionmode.derive_ionmode(spectrum_in: Spectrum) → Spectrum

Derive missing ionmode based on adduct.

Some input formates (e.g. MGF files) do not always provide a correct ionmode. This function reads the adduct from the metadata and uses this to fill in the correct ionmode where missing.

Parameters:

spectrum – Input spectrum.

Return type:

Spectrum object with ionmode attribute set.