Ticket #7898 (closed: fixed)
Adaptable Q-radius for spherical integration
Reported by: | Peter Peterson | Owned by: | Vickie Lynch |
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Priority: | major | Milestone: | Release 3.0 |
Component: | Diffraction | Keywords: | |
Cc: | Blocked By: | ||
Blocking: | Tester: | Peter Peterson |
Description
Add an additional parameter to IntegratePeaksMD that would be used in place of PeakRadius. This additional parameter would be a constant for deltaQ/Q used to calculate the radius of the sphere so each peak has a different radius related to the magnitude of Q at its center such that
PeakRadius_thispeak = (deltaQ/Q) * Qcenter_thispeak
Change History
comment:2 Changed 7 years ago by Vickie Lynch
- Status changed from inprogress to verify
- Resolution set to fixed
To test:
Load(Filename='TOPAZ_6674_event.nxs',OutputWorkspace='TOPAZ_6674_event',FilterByTofMin='2000',FilterByTofMax='16500',LoadMonitors='1',MonitorsAsEvents='1') ConvertToDiffractionMDWorkspace(InputWorkspace='TOPAZ_6674_event',OutputWorkspace='TOPAZ_6674_MD',OutputDimensions='Q (sample frame)',SplitThreshold='50',MaxRecursionDepth='11') FindPeaksMD(InputWorkspace='TOPAZ_6674_MD',PeakDistanceThreshold='0.47099999999999997',MaxPeaks='100',OutputWorkspace='peaks_ws') CentroidPeaksMD(InputWorkspace='TOPAZ_6674_MD',PeaksWorkspace='peaks_ws',OutputWorkspace='peaks_ws') FindUBUsingFFT(PeaksWorkspace='peaks_ws',MinD='4',MaxD='12',Tolerance='0.12') IndexPeaks(PeaksWorkspace='peaks_ws',Tolerance='0.12') SelectCellOfType(PeaksWorkspace='peaks_ws',CellType='Rhombohedral',Centering='R') IntegratePeaksMD(InputWorkspace='TOPAZ_6674_MD',CoordinatesToUse='Q (sample frame)',PeakRadius='0.1',PeaksWorkspace='peaks_ws',OutputWorkspace='peaks_ws_sphere') IntegratePeaksMD(InputWorkspace='TOPAZ_6674_MD',CoordinatesToUse='Q (sample frame)',PeakRadius='0.02',PeaksWorkspace='peaks_ws',OutputWorkspace='peaks_ws_sphere_adaptive',AdaptiveQRadius='1')
comment:3 Changed 7 years ago by Peter Peterson
- Status changed from verify to verifying
- Tester set to Peter Peterson
comment:4 Changed 7 years ago by Peter Peterson
- Status changed from verifying to reopened
- Resolution fixed deleted
I really wanted to pass this one, but there is a problem. If I set AdaptiveQRadius to True/False with the same PeakRadius the slice viewer shows the peaks to be the same size. The intensities do differ so I believe this is just a mistake in what the radius is marked as in the individual peak.
comment:5 Changed 7 years ago by Vickie Lynch
- Status changed from reopened to verify
- Resolution set to fixed
Ticket #7949 will fix problem found in testing.
Refs #7898 add option for adaptive Q-radius integration
Changeset: 9fd8a8e27fd34f56bc662bb0d5bb2d6965d74e93