Issue 1007: ModificationMatcher over guesses with Acetyl modifications

issues
Status:resolved
Assigned To:Brendan MacLean
Type:Defect
Area:Skyline
Priority:2
Milestone:23.2
Opened:2024-02-01 10:30 by Brendan MacLean
Changed:2024-03-29 09:10 by Nick Shulman
Resolved:2024-03-29 09:10 by Nick Shulman
Resolution:Fixed
Closed:
2024-02-01 10:30 Brendan MacLean
Title»ModificationMatcher over guesses with Acetyl modifications
Assigned To»Nick Shulman
Type»Defect
Area»Skyline
Priority»2
Milestone»23.2
Download brendanx@nexus:data\MacCoss\MaxQuant\Label Free\Label-free.sky.zip
Open the .sky.zip file in Skyline.
View > Spectral Libraries.

Bug: Skyline asks to use 3 Acetyl modifications to explain the modifications in the library:
Acetyl (N-term)
Acetyl (S)
Acetyl (T)

If you go to Peptide Settings - Modifications and add just Acetyl (N-term) and then View > Spectral Libraries again, Skyline drops all suggestions for adding Acetyl modifications, because Acetyl (N-term) explains everything in the library.

Maybe worth noting only Acetyl (N-term) and Acetyl (K) show up in the common modifications, while 6 other amino acid-specific Acetyl modifications only appear when you show all modifications.

We should make ModificationMatcher guess better the minimum set of modifications to explain what it sees in a set of modified sequences.

2024-03-29 09:10 Nick Shulman
resolve as Fixed
Statusopen»resolved
Assigned ToNick Shulman»Brendan MacLean
In PR #2859 I made it preferentially choose "common" modifications.