Issue 465: Generating DIA Isolation Schemes with Optimize window placement does not work correctly for odd m/z (or fractional m/z) Window widths

issues
Status:closed
Assigned To:Guest
Type:Defect
Area:Skyline
Priority:1
Milestone:3.6
Opened:2016-04-19 by searleb
Changed:2016-09-05 by Brendan MacLean
Resolved:2016-07-07 by Yuval
Resolution:Fixed
Closed:2016-09-05 by Brendan MacLean
2016-04-19 searleb
Title»Generating DIA Isolation Schemes with Optimize window placement does not work correctly for odd m/z (or fractional m/z) Window widths
Assigned To»Yuval
Type»Defect
Area»Skyline
Priority»3
Milestone»3.6
Go to "Transition Settings"/"Edit Isolation Scheme"/"Prespecified Isolation Windows"/"Calculate..."
Specify:
Start m/z:400
End m/z:406
Window width:3
Deconvolution:overlap
Optimize window placement:checked / not checked

With "Optimize window placement" not checked, this should create 6x 3 m/z windows with 1.5 m/z overlap. This is correct and can be visualized with "Graph..."
With "Optimize window placement" checked, this should do the same, but it instead creates 6x 3 m/z windows with 1 or 2 m/z overlap (not 1.5 m/z). Realistically these settings aren't compatible and the "Optimize window placement" option should be grayed out (or a warning be generated).

Similar issues happen if you specify fractional "Window width"s (i.e. 3.5 m/z), which is also not compatible with "Optimize window placement".

2016-07-07 Yuval
Priority3»1

2016-07-07 Yuval
resolve as Fixed
Statusopen»resolved
Assigned ToYuval»Brendan MacLean
Revision 9880

2016-09-05 Brendan MacLean
close
Statusresolved»closed
Assigned ToBrendan MacLean»Guest