Issue 935: Capture injection time as sample-scoped chromatogram

issues
Status:open
Assigned To:Brendan MacLean
Type:Defect
Area:Skyline
Priority:3
Milestone:4.3
Opened:2023-01-17 12:56 by Josh Eckels
Changed:2023-01-17 12:56 by Josh Eckels
Resolved:
Resolution:
Closed:
2023-01-17 12:56 Josh Eckels
Title»Capture injection time as sample-scoped chromatogram
Assigned To»Brendan MacLean
Type»Defect
Area»Skyline
Priority»3
We talked about this via email in November 2022 and I logged a request on the Panorama side for making this trackable as a QC/system suitability metric:

https://www.labkey.org/Panorama%20Partners/Feature%20Requests/issues-details.view?issueId=46706

Capturing it here too since it requires work on the Skyline side, and because it was separately suggested here today:

https://panoramaweb.org/home/support/announcements-thread.view?rowId=8107

My brief summary on the Panorama side of the request:

Per an email thread with Matt, Brendan, and Mike, there's interest in a new metric that tracks the injection time. Skyline would need to start extracting the injection time as a new sample-scoped chromatogram, like it does already for pressure traces.

Once that data is available, Panorama could add sample and/or peptide level metics that monitor it. The simplest would be to calculate the median injection time across the whole sample. Or, as Mike said in the email thread:

Going back to the challenge of what to report for each peptide. In this paper https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7757911/
In Figure 6 we plotted total injection time per LC peak (basically the sum of the injection time for the peptide across all scans that were integrated). We also did the mean injection time for the spectra that were used in calculating the peak area.

For either approach in Panorama, we'd need to calculate this during the import process like we do for the pressure trace metrics today.