Ticket #7412 (closed: fixed)
PeakIntensityVsRadius fixes/improvements
Reported by: | Peter Peterson | Owned by: | Vickie Lynch |
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Priority: | major | Milestone: | Release 2.6 |
Component: | Framework | Keywords: | |
Cc: | ajschultz2@… | Blocked By: | |
Blocking: | Tester: | Samuel Jackson |
Description (last modified by Vickie Lynch) (diff)
This algorithm is either broken or needs better documentation.
Also, this would benefit from outputting a second workspace which is the number of peaks integrated to I/sigma at levels of 2, 3, 5, and 10. Each level is a separate spectrum. This is adding the functionality that Art has in his python script.
Change History
comment:4 Changed 7 years ago by Vickie Lynch
- Status changed from new to inprogress
Refs #7412 new workspace with number of peaks with I/sigI > n
Changeset: 9eb02756636a8d26c821e2d8696b2dbfa9fd58e7
comment:5 Changed 7 years ago by Vickie Lynch
Refs #7412 optional second workspace name
Changeset: 091d43f718369096278c37ca495db4672f0cabf3
comment:6 Changed 7 years ago by Vickie Lynch
- Description modified (diff)
This algorithm works and the wiki documentation looks good. One possible source of error is if the CoordinatesToUse does not match the type of InputWorkspace. I will make a new ticket to add a getCoordinateSystem function to MDWorkspaces. The requested workspace was added. 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') PeakIntensityVsRadius(InputWorkspace='TOPAZ_6674_MD',PeaksWorkspace='peaks_ws',CoordinatesToUse='Q (sample frame)',RadiusEnd='0.050000000000000003',NumSteps='100',OutputWorkspace='intensity',OutputWorkspace2='numberPeaks')
comment:7 Changed 7 years ago by Vickie Lynch
- Status changed from inprogress to verify
- Resolution set to fixed
comment:8 Changed 7 years ago by Samuel Jackson
- Status changed from verify to verifying
- Tester set to Samuel Jackson
comment:9 Changed 7 years ago by Samuel Jackson
- Status changed from verifying to closed
Merge remote-tracking branch 'origin/feature/7412_PeakIntensityVsRadius'
comment:10 Changed 7 years ago by Samuel Jackson
Looks good. NumSteps throws an error when set to something illogical (e.g. -1), but will create another ticket for this as it's an easy fix and I doubt it will be noticed.
comment:11 Changed 5 years ago by Stuart Campbell
This ticket has been transferred to github issue 8258