Issue 1002: trouble with transition list created with our own document grid export

issues
Status:open
Assigned To:Brian Pratt
Type:Defect
Area:Skyline
Priority:3
Milestone:4.3
Opened:2024-01-24 08:14 by Brian Pratt
Changed:2024-01-29 10:06 by Brian Pratt
Resolved:
Resolution:
Related:1006
Closed:
Related Issues
2024-01-24 08:14 Brian Pratt
Title»trouble with transition list created with our own document grid export
Assigned To»Brian Pratt
Type»Defect
Area»Skyline
Priority»3
While investigating https://skyline.ms/announcements/home/support/thread.view?rowId=63240 which is about unfragmented precursors in MS2 data, I hand created a precursor and product ion which is meant to be the unfragmented precursor.

But this transition list CSV file, exported from our Document Grid, doesn't roundtrip well

Molecule List Name,Molecule Name,Molecule Formula,Precursor Ion Formula,Precursor Neutral Formula,Precursor Adduct,Precursor Mz,Precursor Charge,Collision Energy,Explicit Collision Energy,Explicit Retention Time,Explicit Retention Time Window,Product Mz,Product Charge,Product Ion Formula,Product Neutral Formula,Product Adduct,Fragment Ion
Mymols,MyMol,C12H5N22S,C12H6N22S,C12H5N22S,[M+H],490.0861,1,0,#N/A,,,490.0861,1,C12H5N22S,C12H5N22S,[M+H],precursor
Mymols,MyMol,C12H5N22S,C12H6N22S,C12H5N22S,[M+H],490.0861,1,0,#N/A,,,490.0861,1,C12H5N22S,C12H5N22S,[M+H],MyMolMS2


You would hope that the distinct fragment name "MyMolMS2" would result in an MS2 entry but it doesn't.
Not all the headers are recognized by our own reader
Columns which are all #N/A should be ignored
#N/A should be treated as empty, actually

2024-01-29 10:06 Brian Pratt
Related»1006