Ticket #10610 (closed: fixed)
IntegratePeaksMD bug
Reported by: | Vickie Lynch | Owned by: | Vickie Lynch |
---|---|---|---|
Priority: | major | Milestone: | Release 3.3 |
Component: | Framework | Keywords: | |
Cc: | Blocked By: | ||
Blocking: | Tester: | Wenduo Zhou |
Description
Bug in calculation of errorSquared using background region:
errorSquared = errorSquared + scaleFactor * bgErrorSquared should be: errorSquared = errorSquared + scaleFactor^2 * bgErrorSquared
Change History
comment:3 Changed 6 years ago by Vickie Lynch
- Status changed from assigned to inprogress
Refs #10610 use background from radius of cylinder
Changeset: e66d6058be1dab971a9a39231c8b9e334edf08e5
comment:4 Changed 6 years ago by Vickie Lynch
- Status changed from inprogress to verify
- Resolution set to fixed
Testing script:
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='0.471',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='0.1',PeaksWorkspace='peaks_ws',OutputWorkspace='peaks_ws_cylinder', Cylinder='1',CylinderLength='0.4',PercentBackground='20',ProfileFunction='NoFit') IntegratePeaksMD(InputWorkspace='TOPAZ_6674_MD',CoordinatesToUse='Q (sample frame)',PeakRadius='0.1',PeaksWorkspace='peaks_ws',OutputWorkspace='peaks_ws_sphere_bkg',BackgroundOuterRadius=0.12) IntegratePeaksMD(InputWorkspace='TOPAZ_6674_MD',CoordinatesToUse='Q (sample frame)',PeakRadius='0.1',PeaksWorkspace='peaks_ws',OutputWorkspace='peaks_ws_cylinder_bkg', Cylinder='1',CylinderLength='0.4',PercentBackground='20',ProfileFunction='NoFit',BackgroundOuterRadius=0.12)
comment:5 Changed 6 years ago by Lottie Greenwood
- Status changed from verify to verifying
- Tester set to Lottie Greenwood
comment:6 Changed 6 years ago by Vickie Lynch
To use data from system tests: Check that Intens and Sigint are similar with and without background.
Load(Filename='TOPAZ_3132_event.nxs', OutputWorkspace='TOPAZ_3132_event', LoaderName='LoadEventNexus', LoaderVersion=1, LoadMonitors=True) ConvertToMD(InputWorkspace='TOPAZ_3132_event', QDimensions='Q3D', dEAnalysisMode='Elastic', Q3DFrames='Q_sample', LorentzCorrection=True, OutputWorkspace='TOPAZ_3132_md', MinValues='-25,-25,-25', MaxValues='25,25,25', SplitInto='2', SplitThreshold=50, MaxRecursionDepth=13, MinRecursionDepth=7) FindPeaksMD(InputWorkspace='TOPAZ_3132_md', PeakDistanceThreshold=0.37680000000000002, MaxPeaks=50, DensityThresholdFactor=100, OutputWorkspace='TOPAZ_3132_peaks') FindUBUsingFFT(PeaksWorkspace='TOPAZ_3132_peaks', MinD=3, MaxD=15, Tolerance=0.12) IndexPeaks(PeaksWorkspace='TOPAZ_3132_peaks', Tolerance=0.12, NumIndexed=50, AverageError=0.011554102677988988) ShowPossibleCells(PeaksWorkspace='TOPAZ_3132_peaks', NumberOfCells=3, AllowPermutations=False) SelectCellOfType(PeaksWorkspace='TOPAZ_3132_peaks', CellType='Orthorhombic', Apply=True, NumIndexed=50, AverageError=0.011554102677988971) IntegratePeaksMD(InputWorkspace='TOPAZ_3132_md',CoordinatesToUse='Q (sample frame)',PeakRadius='0.1',PeaksWorkspace='TOPAZ_3132_peaks',OutputWorkspace='TOPAZ_3132_peaks_sphere') IntegratePeaksMD(InputWorkspace='TOPAZ_3132_md',CoordinatesToUse='Q (sample frame)',PeakRadius='0.1',PeaksWorkspace='TOPAZ_3132_peaks',OutputWorkspace='TOPAZ_3132_peaks_cylinder', Cylinder='1',CylinderLength='0.4',PercentBackground='20',ProfileFunction='NoFit') IntegratePeaksMD(InputWorkspace='TOPAZ_3132_md',CoordinatesToUse='Q (sample frame)',PeakRadius='0.1',PeaksWorkspace='TOPAZ_3132_peaks',OutputWorkspace='TOPAZ_3132_peaks_sphere_bkg',BackgroundOuterRadius=0.12) IntegratePeaksMD(InputWorkspace='TOPAZ_3132_md',CoordinatesToUse='Q (sample frame)',PeakRadius='0.1',PeaksWorkspace='TOPAZ_3132_peaks',OutputWorkspace='TOPAZ_3132_peaks_cylinder_bkg', Cylinder='1',CylinderLength='0.4',PercentBackground='20',ProfileFunction='NoFit',BackgroundOuterRadius=0.12)
comment:7 Changed 6 years ago by Lottie Greenwood
- Status changed from verifying to verify
- Tester Lottie Greenwood deleted
comment:8 Changed 6 years ago by Wenduo Zhou
- Status changed from verify to verifying
- Tester set to Wenduo Zhou
comment:9 Changed 6 years ago by Vickie Lynch
Refs #10610 inner background radius not set for cylindrical
Changeset: e47fb7819567784deedae057ad6b53a328549243
comment:10 Changed 6 years ago by Vickie Lynch
Ready for testing. Use first script above for testing.
comment:12 Changed 6 years ago by Wenduo Zhou
Merge remote-tracking branch 'origin/feature/10610_errorSquared_bug'
Full changeset: 0b002bc25ea2cb6ed9cedb0dbc184c50a0460c53
comment:13 Changed 5 years ago by Stuart Campbell
This ticket has been transferred to github issue 11452
Refs #10610 fixed errorSquared for spherical & cylindrical integration
Changeset: 53ff588548a3696dbc0743755bb69ce7aaa93a95