Issue 354: CE optimization library populated with data for labeled peptides does not work for analyte peptides

issues
Status:closed
Assigned To:Guest
Type:Defect
Area:Skyline
Priority:3
Milestone:3.1
Opened:2014-10-22 by Brendan MacLean
Changed:2015-06-24 by Brendan MacLean
Resolved:2015-06-24 by Brendan MacLean
Resolution:Fixed
Closed:2015-06-24 by Brendan MacLean
2014-10-22 Brendan MacLean
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.

2015-06-24 Brendan MacLean
resolve as Fixed
Statusopen»resolved
Assigned Tokaipot@u.washington.edu»Brendan MacLean
This is fixed in v3.1. Thanks, Hasmik.

2015-06-24 Brendan MacLean
close
Statusresolved»closed
Assigned ToBrendan MacLean»Guest