Issue 843: Update "_elementMasses" in MaxQuantReader.cpp

issues
Status:closed
Assigned To:Guest
Type:Defect
Area:Skyline
Priority:2
Milestone:21.2
Opened:2021-11-09 by Nick Shulman
Changed:2021-12-10 by Nick Shulman
Resolved:2021-12-03 by Matt Chambers
Resolution:Fixed
Closed:2021-12-10 by Nick Shulman
2021-11-09 Nick Shulman
Title»Update "_elementMasses" in MaxQuantReader.cpp
Assigned To»matt.chambers42@gmail.com
Type»Defect
Area»Skyline
Priority»2
Milestone»21.2
There is a list "_elementMasses" in MaxQuantReader.cpp which it looks like we must have copied from MaxQuant source code many years ago.
It only has a small number of elements in it, and every few months a user runs into a problem with a modification that they have defined:
https://skyline.ms/announcements/home/support/thread.view?rowId=49399
https://skyline.ms/announcements/home/support/thread.view?rowId=50563
https://skyline.ms/announcements/home/support/thread.view?rowId=53507

2021-11-11 Brian Pratt
Worth having a look at pwiz\pwiz_tools\Shared\Common\Chemistry\IsotopeAbundances.cs for a comprehensive NIST-blessed set of masses and isotopic abundances.

2021-12-03 Matt Chambers
resolve as Fixed
Statusopen»resolved
Assigned Tomatt.chambers42@gmail.com»Nick Shulman

2021-12-10 Nick Shulman
close
Statusresolved»closed
Assigned ToNick Shulman»Guest