Title | | » | CE optimization library populated with data for labeled peptides does not work for analyte peptides |
Assigned To | | » | kaipot@u.washington.edu |
Notify | | » | hasmik |
Type | | » | Defect |
Area | | » | Skyline |
Priority | | » | 3 |
Milestone | | » | 3.1 |
This is a tough one that will require us to rethink how we store optimized CE information in optimization libraries. We currently store with the columns:
ModifiedSequence,Charge,ProductMz,CE
This means that CEs stored for heavy peptide product ions will match at the precursor level, but fail to match on ProductMz. We need to change what we are storing to:
ModifiedSequence,Charge,FragmentIon,ProductCharge,CE
This will also require writing a converter from the old format to the new using the MassListImporter in Skyline.
Kaipo and I have discussed the full plan, and it seems doable in the not too distant future, but not this week.