Issue 872: Document created by an m/z-only transition list should not depend on list order

issues
Status:closed
Assigned To:Guest
Type:Defect
Area:Skyline
Priority:3
Milestone:22.1
Opened:2022-02-17 10:01 by Brian Pratt
Changed:2022-02-28 15:26 by Brian Pratt
Resolved:2022-02-17 15:16 by Brian Pratt
Resolution:Fixed
Closed:2022-02-28 15:26 by Brian Pratt
2022-02-17 10:01 Brian Pratt
Title»Document created by an m/z-only transition list should not depend on list order
Assigned To»Brian Pratt
Type»Defect
Area»Skyline
Priority»3
Milestone»22.1
From https://skyline.ms/announcements/home/support/thread.view?rowId=54805 (includes example data in an excel file)

This:
Molecule list name    Molecule name    Precursor m/z    Precursor Charge    Product m/z    Product Charge    Label type
Compounds    Mol1    430.1    1    236.1    1    light
Compounds    Mol1    228.1    -1    144.1    -1    light

Should produce the same document as this:
Molecule list name    Molecule name    Precursor m/z    Precursor Charge    Product m/z    Product Charge    Label type
Compounds    Mol1    228.1    -1    144.1    -1    light
Compounds    Mol1    430.1    1    236.1    1    light

but it doesn't, at the moment. It appears that it's the polarity difference that confuses things, this works fine if charges are all declared positive.

2022-02-17 15:16 Brian Pratt
resolve as Fixed
Statusopen»resolved
fixed in commit b6c488eadf545cf028f68c51244368dacbc2e7cb and cherry-picked to 21.2 release branch

2022-02-28 15:26 Brian Pratt
close
Statusresolved»closed
Assigned ToBrian Pratt»Guest