GNPS types module

Holds the mapping for the adducts abd the acceptable keys for gnps.

modifinder.utilities.gnps_types.Convert_SpectrumTuple_to_peaks(spectrum)[source]

class modifinder.utilities.gnps_types.SpectrumTuple(precursor_mz, precursor_charge, mz, intensity)

Bases: tuple

intensity: Alias for field number 3

mz: Alias for field number 2

precursor_charge: Alias for field number 1

precursor_mz: Alias for field number 0

modifinder.utilities.gnps_types.convert_to_SpectrumTuple(peaks, precursor_mz, precursor_charge)[source]

modifinder.utilities.gnps_types.convert_to_SpectrumTuple_seprated(mz, intensity, precursor_mz, precursor_charge)[source]

modifinder.utilities.gnps_types.convert_to_universal_key(key: str) → str[source]