Ticket #11034 (closed: fixed)

Opened 6 years ago

Last modified 5 years ago

IntegrateEllipsoids second pass

Reported by: Vickie Lynch Owned by: Vickie Lynch
Priority: major Milestone: Release 3.4
Component: Diffraction Keywords:
Cc: Blocked By:
Blocking: Tester: Federico M Pouzols

Description (last modified by Vickie Lynch) (diff)

Put axes of ellipsoids into workspace. Do not use r1, r2, r3 for axes since already used for background major radius. Use maximum of means and standard deviation for peak radius on 2nd pass. Try to find way to subtract background from peaks before finding axes lengths.

Change History

comment:1 Changed 6 years ago by Vickie Lynch

Last edited 6 years ago by Vickie Lynch (previous) (diff)

comment:2 Changed 6 years ago by Vickie Lynch

  • Description modified (diff)

comment:3 Changed 6 years ago by Vickie Lynch

Refs #11034 workspaces for principal axes lengths

Changeset: d1ed53a9e84890a9fe068eac207029faf6e85f3a

comment:4 in reply to: ↑ description Changed 6 years ago by Vickie Lynch

Replying to Vickie Lynch:

Put axes of ellipsoids into workspace. Do not use r1, r2, r3 for axes since already used for background major radius. Use maximum of means and standard deviation for peak radius on 2nd pass.

comment:5 Changed 6 years ago by Vickie Lynch

  • Status changed from new to assigned

To test: 

Load(Filename='TOPAZ_11052_event.nxs', OutputWorkspace='TOPAZ_11052_event', LoaderName='LoadEventNexus', LoaderVersion=1, LoadMonitors=True)
ConvertToMD(InputWorkspace='TOPAZ_11052_event', QDimensions='Q3D', dEAnalysisMode='Elastic', Q3DFrames='Q_sample', LorentzCorrection=True, OutputWorkspace='TOPAZ_11052_md', MinValues='-25,-25,-25', MaxValues='25,25,25', SplitInto='2', SplitThreshold=50, MaxRecursionDepth=13, MinRecursionDepth=7)
FindPeaksMD(InputWorkspace='TOPAZ_11052_md', PeakDistanceThreshold=0.37680000000000002, MaxPeaks=1000, DensityThresholdFactor=1, OutputWorkspace='TOPAZ_11052_peaks')
FindUBUsingFFT(PeaksWorkspace='TOPAZ_11052_peaks', MinD=3, MaxD=15, Tolerance=0.12)
CopySample(InputWorkspace='TOPAZ_11052_peaks', OutputWorkspace='TOPAZ_11052_event', CopyName=False, CopyMaterial=False, CopyEnvironment=False, CopyShape=False)
IndexPeaks(PeaksWorkspace='TOPAZ_11052_peaks', Tolerance=0.12, NumIndexed=789, AverageError=0.025238045855980905)
CopySample(InputWorkspace='TOPAZ_11052_peaks', OutputWorkspace='TOPAZ_11052_event', CopyName=False, CopyMaterial=False, CopyEnvironment=False, CopyShape=False)
CopySample(InputWorkspace='TOPAZ_11052_peaks', OutputWorkspace='TOPAZ_11052_event', CopyName=False, CopyMaterial=False, CopyEnvironment=False, CopyShape=False)
ShowPossibleCells(PeaksWorkspace='TOPAZ_11052_peaks', BestOnly=False, NumberOfCells=6, AllowPermutations=False)
SelectCellOfType(PeaksWorkspace='TOPAZ_11052_peaks', CellType='Monoclinic', Apply=True, NumIndexed=789, AverageError=0.025238045855980919)
CopySample(InputWorkspace='TOPAZ_11052_peaks', OutputWorkspace='TOPAZ_11052_event', CopyName=False, CopyMaterial=False, CopyEnvironment=False, CopyShape=False)
IntegrateEllipsoids(InputWorkspace='TOPAZ_11052_event', PeaksWorkspace='TOPAZ_11052_peaks', RegionRadius=0.3, OutputWorkspace='TOPAZ_11052_peaks')
IntegrateEllipsoids(InputWorkspace='TOPAZ_11052_event', PeaksWorkspace='TOPAZ_11052_peaks', RegionRadius=0.3, OutputWorkspace='TOPAZ_11052_peaks2ndpass_sigma3',CutoffIsigI=10.0)
IntegrateEllipsoids(InputWorkspace='TOPAZ_11052_event', PeaksWorkspace='TOPAZ_11052_peaks', RegionRadius=0.3, OutputWorkspace='TOPAZ_11052_peaks2ndpass_sigma2',CutoffIsigI=10.0,NumSigmas=2)

comment:6 Changed 6 years ago by Vickie Lynch

  • Status changed from assigned to verify
  • Resolution set to fixed

comment:7 Changed 6 years ago by anonymous

This is being verified as ​pull request #195.

comment:8 Changed 6 years ago by Federico M Pouzols

It seems that this PR has developed a merge conflict since it was opened. Could you merge master into your brans and see if the conflict can be sorted out?

comment:9 Changed 6 years ago by Vickie Lynch

Refs #11034 change structure of if tests

Changeset: a29befa9d042870c5df4c66ab8b5ee316985c0a9

comment:10 Changed 6 years ago by Federico M Pouzols

  • Status changed from verify to verifying
  • Tester set to Federico M Pouzols

comment:11 Changed 6 years ago by Federico M Pouzols

All looks good. I did the test using TOPAZ_3132_event from system tests. IntegrateEllipsoid is now more verbose which can be helpful. Run time increased just slightly from ~7.20

to ~7.52 s. System tests also seem to be happy with this.

comment:12 Changed 6 years ago by Federico M Pouzols

Merge pull request #195 from mantidproject/11034_IntegrateEllipsoids_second_pass

Refs #11034 workspaces for principal axes lengths

Changeset: 7e5a85f834943579d85ebe755e80376191424e9d

comment:13 Changed 6 years ago by Federico M Pouzols

  • Status changed from verifying to closed

Merge pull request #195 from mantidproject/11034_IntegrateEllipsoids_second_pass

Refs #11034 workspaces for principal axes lengths

Full changeset: ​7e5a85f834943579d85ebe755e80376191424e9d

comment:14 Changed 5 years ago by Nick Draper

  • Component changed from Framework to Diffraction

comment:15 Changed 5 years ago by Stuart Campbell

This ticket has been transferred to github issue ​11873

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