Issue 834: Precursors for the same peptide with same precursor m/z get lost in the .skyd file

issues
Status:closed
Assigned To:Guest
Type:Defect
Area:Skyline
Priority:2
Milestone:4.3
Opened:2021-09-09 11:07 by Nick Shulman
Changed:2021-11-29 13:16 by Nick Shulman
Resolved:2021-11-05 12:08 by Nick Shulman
Resolution:Fixed
Closed:2021-11-29 13:16 by Nick Shulman
2021-09-09 11:07 Nick Shulman
Title»Precursors for the same peptide with same precursor m/z get lost in the .skyd file
Assigned To»Nick Shulman
Type»Defect
Area»Skyline
Priority»2
From this support request:
https://skyline.ms/announcements/home/support/thread.view?rowId=52220

The "Permute Isotope Distributions" menu item was used with the "Complete" option to get all of the permutations of the heavy label.
Some of the precursors ended up with the same precursor m/z, but different transitions.
Those precursors would be written to the .skyd file as separate ChromGroupHeaderInfo's. When loading chromatograms, only the first ChromGroupHeaderInfo would be returned, so some of the precursors would end up missing transitions.

I think the fix might involve writing a merged ChromGroupHeaderInfo to the .skyd file.

The fix for this might also help the scenario in this pull request where multiple molecules had the same TextId.
https://github.com/ProteoWizard/pwiz/pull/1659

2021-11-05 12:08 Nick Shulman
resolve as Fixed
Statusopen»resolved
Fixed in PR#1810

2021-11-29 13:16 Nick Shulman
close
Statusresolved»closed
Assigned ToNick Shulman»Guest