Issue 477: Request for occupancy proportion report value

issues
Status:resolved
Assigned To:Brendan MacLean
Type:Todo
Area:Skyline
Priority:3
Milestone: 
Opened:2016-09-08 by Brendan MacLean
Changed:2019-04-17 by Nick Shulman
Resolved:2019-04-17 by Nick Shulman
Resolution:Fixed
Closed:
2016-09-08 Brendan MacLean
Title»Request for occupancy proportion report value
Assigned To»Nick Shulman
Type»Todo
Area»Skyline
Priority»3
Recently got a request for a report value expressing the proportion of each peptide modified state, i.e. if the target list contains:

PESTIC[+57]EDER
PES[+80]TIC[+57]IDER
PEST[+80]IC[+57]IDER
PES[+80]T[+80]IC[+57]IDER

Then you would sum the peak areas for these 4 modified forms, and then report the peak area ratio of each to the total.

Seems like there could be all kinds of problems with this, e.g. ionization efficiency changing with modification, etc. that would likely make this not necessarily quantitatively valid, but it was suggested that a lot of people are using this metric in pharma to express purity of protein products.

Mike also seemed to feel that this would be a useful addition and that Topograph had something like this.

2019-04-17 Nick Shulman
resolve as Fixed
Statusopen»resolved
Assigned ToNick Shulman»Brendan MacLean
This has been added to Skyline-Daily. The column in the Document Grid is called "PeptideResult.ModifiedAreaProportion".