modifinder.Compound.calculate_contributions

Compound.calculate_contributions(peakids, CI=False, CPA=True, CFA=True, CPE=True)

input: peakids: list of peak ids CI: (Consider_Intensity) bool, if True, the intensity of the peaks is considered (default: False) CPA: (Consider_Peak_Ambiguity) bool, if True, the peak ambiguity (number of fragments assigned to a peak) is considered (default: True) CFA: (Consider_Fragment_Ambiguity) bool, if True, the fragment ambiguity (number of atoms in fragment) is considered (default: True) CPA: (Consider_Peak_Entropy) bool, if True, the peak entropy (how ambiguis the fragments are) is considered (default: True