Ticket #10610 (closed: fixed)

Opened 6 years ago

Last modified 5 years ago

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:1 Changed 6 years ago by Vickie Lynch

Refs #10610 fixed errorSquared for spherical & cylindrical integration

Changeset: 53ff588548a3696dbc0743755bb69ce7aaa93a95

comment:2 Changed 6 years ago by Nick Draper

  • Status changed from new to assigned

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:11 Changed 6 years ago by Wenduo Zhou

  • Status changed from verifying to closed

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

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