matchms.filtering.metadata_processing.add_retention module

matchms.filtering.metadata_processing.add_retention.add_retention_index(spectrum_in: Spectrum) → Spectrum

Add retention index into ‘retention_index’ key if present.

Parameters:

spectrum – Spectrum with RI information.

Return type:

Spectrum with RI info stored under ‘retention_index’.

matchms.filtering.metadata_processing.add_retention.add_retention_time(spectrum_in: Spectrum) → Spectrum

Add retention time information to the ‘retention_time’ key as float. Negative values and those not convertible to a float result in ‘retention_time’ being ‘None’.

Parameters:

spectrum – Spectrum with retention time information.

Return type:

Spectrum with harmonized retention time information.