Issue 653: Implement arbitrary peptide proportion grouping

issues
Status:resolved
Assigned To:Brendan MacLean
Type:Todo
Area:Skyline
Priority:2
Milestone:19.2
Opened:2019-05-23 by Brendan MacLean
Changed:2019-06-24 by Nick Shulman
Resolved:2019-06-24 by Nick Shulman
Resolution:Fixed
Closed:
2019-05-23 Brendan MacLean
Title»Implement arbitrary peptide proportion grouping
Assigned ToGuest»Nick Shulman
Type»Todo
Area»Skyline
Priority»2
Milestone»4.3
This has become important to people using mass spec for biopharmaceutical QC with multi-attribute models (MAM):

https://www.tandfonline.com/doi/full/10.1080/19420862.2015.1069454

The new PeptideResult.ModifiedAreaProportion value gets at this for the set of peptides with the same unmodified sequence, but the paper above advocates tracking the area proportion of other groups like peptides with glycan modifications as %glycan = (area for specific glycan / area of all glycans) * 100, where they are actually talking about separate peptide sequences with specific glycan modifications.

Other discussions have included grouping peptides with missed cleavages, etc.

We should add a new Peptide property like Peptide.Area Grouping ID and an new proportion value like PeptideResults.GroupedAreaProportion based on %peptide = (area for peptide result / area for all group members) * 100.

2019-06-10 Brendan MacLean
Or going off the MAM (multi-attribute model) terminology, we could use Peptide Attribute Group ID and Peptide Attribute Area Proportion.

2019-06-10 Brendan MacLean
Milestone4.3»19.2

2019-06-24 Nick Shulman
resolve as Fixed
Statusopen»resolved
Assigned ToNick Shulman»Brendan MacLean
This is fixed in Skyline-Daily (pull request #572).
The columns are called "AttributeGroupId" and "AttributeAreaProportion".