Issue 1044: Add .sdf file support for spectral library creation

issues
Status:closed
Assigned To:Guest
Type:Todo
Area:Skyline
Priority:3
Milestone: 
Opened:2024-12-12 13:22 by Brian Pratt
Changed:2026-01-06 12:58 by Brendan MacLean
Resolved:2026-01-06 12:57 by Brendan MacLean
Resolution:GitHub Move
Closed:2026-01-06 12:58 by Brendan MacLean
2024-12-12 13:22 Brian Pratt
Title»Add .sdf file support for spectral library creation
Assigned To»Brendan MacLean
Notify»mwmann
Type»Todo
Area»Skyline
Priority»3
per https://skyline.ms/announcements/home/support/thread.view?rowId=65625

The user is trying to get spectral library information out of Sciex software, which is currently more or less impossible. Apparently Sciex plans to add a text-based export in .SDF format, which looks like yet another "standard" along the lines of .msp where more or less anything goes. An example file is provided in the support thread mentioned above.

Some useful notes on .SDF can be found here:
https://chemdata.nist.gov/dokuwiki/doku.php?id=chemdata:libraryconversion

2026-01-06 12:57 Brendan MacLean
resolve as GitHub Move
Statusopen»resolved
Skyline issues have moved to GitHub Issues at https://github.com/ProteoWizard/pwiz/issues
Issues will be ported as necessary for active work.

2026-01-06 12:58 Brendan MacLean
close
Statusresolved»closed
Assigned ToBrendan MacLean»Guest