Issue 497: Ignore full-scan settings for retention time prediction when importing SRM data

issues
Status:resolved
Assigned To:Brendan MacLean
Type:Defect
Area:Skyline
Priority:3
Milestone:21.1
Opened:2017-02-27 17:08 by Brendan MacLean
Changed:2022-08-04 07:43 by Nick Shulman
Resolved:2022-08-04 07:43 by Nick Shulman
Resolution:Fixed
Closed:
2017-02-27 17:08 Brendan MacLean
Title»Ignore full-scan settings for retention time prediction when importing SRM data
Assigned To»Nick Shulman
Type»Defect
Area»Skyline
Priority»3
Not necessarily yours, but maybe you can fix it. We just saw a lot of confusion, and I actually needed a debugger to figure out what was going on when a course instructor at the targeted proteomics course in SF had a document with Full-Scan settings that specified extraction around MS/MS IDs, and then imported SRM data. She got very surprising peak picking results, mostly peaks picked at the latest possible edge of her chromatogram range. It turned out this was due to using a spectral library from a longer gradient. Skyline was including the MS/MS ID times in retention time prediction, and Skyline was often predicting far ahead in the future from the chromatogram range.

We should improve our check for whether to use MS/MS ID times in retention time prediction to avoid accidentally using it based on the Full-Scan tab when the data being imported is SRM.

2017-02-27 17:14 Brendan MacLean
Milestone»3.7

2019-06-10 12:47 Brendan MacLean
Milestone3.7»19.2

2020-10-05 13:33 Brendan MacLean
Milestone19.2»21.1

2022-08-04 07:43 Nick Shulman
resolve as Fixed
Statusopen»resolved
Assigned ToNick Shulman»Brendan MacLean
Fixed in pull request #2167