Re: [Psidev-pi-dev] [HUPO-PSI/mzIdentML] Consensus Spectra (labelled and unlabelled cross-linkers) (#19)

[andrewrobertjones <not...@gi...>]

I would like to keep the cardinality such that one SII references one Peptide chain identified, so for the case of L&H, we require four SII elements. Given the problem identified above with "chargeState" attribute, I think we should require that the calculatedMassToCharge and chargeState attributes for each cross-linked pair store identifical values for the calculatedMassToCharge of the whole cross-linked entity, whereby a pair of light would store different values from the pair of heavy.

If it is felt necessary, we could also store the calculated neutral mass of each individual chain as a cvParam on each SII. Neutral mass would be better than calculatedMassToCharge anyway, since you may not have a charge value for each chain




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