Issue 708: Renaming a molecule in Targets tree causes Skyline to miscalculate mass of transition with heavy label adduct

Status:resolved
Assigned To:Brian Pratt
Type:Defect
Area:Skyline
Priority:3
Milestone:19.2
Opened:2019-12-30 by Brian Pratt
Changed:2020-01-02 by Brian Pratt
Resolved:2020-01-02 by Brian Pratt
Resolution:Fixed
Closed:
2019-12-30 Brian Pratt
Title»Renaming a molecule in Targets tree causes Skyline to miscalculate mass of transition with heavy label adduct
Assigned ToGuest»Brian Pratt
Type»Defect
Area»Skyline
Priority»3
Milestone»19.2
In effect it's adding the mass of the heavy isotopes twice due to use of overly complex code to derive mass from mz (modeled on the peptide code, where it's perfectly reasonable). We can just get the mass of the molecule directly, no need for conversion from mz.

2020-01-02 Brian Pratt
resolve as Fixed
Statusopen»resolved
Fixed in 19.2 branch and cherry-picked to master.