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Hi!
It seems fragment charge is not taken into account when removing neutral loss in .removeNeutralLoss() which is a part of .neutralLoss(). E.g. compare to pyteomics.mass.calculate_mass():
@nbisliuk Indeed you are right! Thanks for reporting this bug (and its fix). I implemented it in the same way in cac8874
@lgatto because of this trivial fix I already pushed it into master instead of opening a PR. Unfortunately I lost track where this function is used in other packages. The patch has to be applied at least in PSMatch as well.
Hi!
It seems fragment charge is not taken into account when removing neutral loss in .removeNeutralLoss() which is a part of .neutralLoss(). E.g. compare to pyteomics.mass.calculate_mass():
Python:
R:
Should be like this, no?
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