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Optimize DIAmeter's redundant usage of peaks_ in XCorr #548

Open younglululu opened 2 years ago

younglululu commented 2 years ago

As suggested by Attila:

The standard XCorr score uses only unique theoretical peaks, thus it filters out redundant theoretical peaks. If you need the same theoretical peaks which are used in the standard XCorr, then you can access these peaks in :peaks[0] and in peaks[1], respectively for different charge states.

kfattila commented 2 years ago

Just another comment: in the unique theoretical peaks there is no information about the type of the peak, whether it is b- or y-ion, which is in fact makes sense, because if there is a b- and a y-ion at the same bin, which ion would you keep?