|Title||»||Consider generating a dictionary of less common isotopes instead of hardcoding them piecemeal in response to user requests|
|Assigned To||»||Brian Pratt|
We recently added support for heavy copper (C' in Skyline-speak, C65 in adduct-speak) because it appears as an adduct in a list of common mass spec contaminants.
It occurs to me that this could have been handled automatically if we used the information we already have in pwiz.Common.Chemistry,IsotopeAbundances.
For any given element X that we don't already have hard-coded, it's just a matter of identifying the most common stable isotopes and noting them as X', Xmm, X", and Xnn respectively, where mm and nn are the isotope masses rounded to the nearest integer.