Ticket #5661 (closed: fixed)

Opened 8 years ago

Last modified 5 years ago

SaveZODS corrections

Reported by: Vickie Lynch Owned by: Vickie Lynch
Priority: major Milestone: Release 2.2
Component: Mantid Keywords:
Cc: Blocked By:
Blocking: Tester: Michael Reuter

Description

Get Mantid diffuse scattering data input into ZODS correctly. (SaveZODS)

Change History

comment:1 Changed 8 years ago by Vickie Lynch

Refs #5661 unit_cell and dimension order corrected

Changeset: 84cacf8390240135bd64f9ff3c6cf42a8cb50a93

comment:2 Changed 8 years ago by Vickie Lynch

  • Status changed from new to accepted

comment:3 Changed 8 years ago by Vickie Lynch

Refs #5661 unit_cell and dimension order corrected

Changeset: 84cacf8390240135bd64f9ff3c6cf42a8cb50a93

comment:4 Changed 8 years ago by Vickie Lynch

Refs #5661 ZODS vtk output from SaveZODS files OK now

Changeset: de8c2f35292536660aa8560dd8bafb988a4e44d8

comment:5 Changed 8 years ago by Vickie Lynch

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

Script to write file with diffuse scattering: LoadEventNexus(Filename='TOPAZ_3197_event.nxs',OutputWorkspace='TOPAZ_3197',FilterByTofMin='3000',FilterByTofMax='16000') #AnvredCorrection(InputWorkspace='TOPAZ_3197',OutputWorkspace='TOPAZ_3197',LinearScatteringCoef='0.45100000000000001',LinearAbsorptionCoef='0.99299999999999999',Radius='0.14000000000000001') ConvertToDiffractionMDWorkspace(InputWorkspace='TOPAZ_3197',OutputWorkspace='TOPAZ_3197_MD2',SplitInto='2',SplitThreshold='150',LorentzCorrection=True) FindPeaksMD(InputWorkspace='TOPAZ_3197_MD2',MaxPeaks='100',OutputWorkspace='TOPAZ_3197_peaksLattice') CentroidPeaksMD(InputWorkspace='TOPAZ_3197_MD2',CoordinatesToUse='Q (lab frame)',

PeakRadius='0.12',PeaksWorkspace='TOPAZ_3197_peaksLattice',OutputWorkspace='TOPAZ_3197_peaksLattice')

FindUBUsingLatticeParameters(PeaksWorkspace='TOPAZ_3197_peaksLattice',a='3.93',b='3.92',c='20.4896',alpha='90',beta='90',gamma='90',NumInitial='20',Tolerance='0.12') IndexPeaks(PeaksWorkspace='TOPAZ_3197_peaksLattice',Tolerance='0.12') IntegratePeaksMD(InputWorkspace='TOPAZ_3197_MD2',PeakRadius='0.12',BackgroundInnerRadius='0.14999999999999999',BackgroundOuterRadius='0.17999999999999999',PeaksWorkspace='TOPAZ_3197_peaksLattice',OutputWorkspace='TOPAZ_3197_peaksLattice') CopySample(InputWorkspace='TOPAZ_3197_peaksLattice',OutputWorkspace='TOPAZ_3197',CopyName='0',CopyMaterial='0',CopyEnvironment='0',CopyShape='0') ConvertToDiffractionMDWorkspace(InputWorkspace='TOPAZ_3197',OutputWorkspace='TOPAZ_3197_HKL',OutputDimensions='HKL',SplitInto='2',SplitThreshold='150') BinMD(InputWorkspace='TOPAZ_3197_HKL',AxisAligned='0',BasisVector0='H,lattice,1,0,0',BasisVector1='K,lattice,0,1,0',BasisVector2='L,lattice,0,0,1',

OutputExtents='-1.5,-1.499,-6.5,8.5,-16.4,18.4',OutputBins='1,501,1025',Parallel='1', OutputWorkspace='TOPAZ_3197_HKL_rebinned')

SaveZODS(InputWorkspace='TOPAZ_3197_HKL_rebinned', Filename='TOPAZ_3197_zods_test2.h5') # Show in slice Viewer sv = plotSlice('TOPAZ_3197_HKL_rebinned', xydim=('H','L'), slicepoint=[0, +0, 0], colorscalelog=True) sv.setColorMapBackground(0,0,0)

Use ZODS utility to convert to vtk for ParaView:

zods_01/releaseHDF5/src/bin/convert i hdf5 TOPAZ_3197_zods_test2.h5 vtk TOPAZ_3197_zods_test2.vtk

comment:6 Changed 8 years ago by Michael Reuter

  • Status changed from verify to verifying
  • Tester set to Michael Reuter

comment:7 Changed 8 years ago by Michael Reuter

  • Status changed from verifying to closed

This seems to work correctly.

comment:8 Changed 8 years ago by Vickie Lynch

Refs #5661 ZODS vtk output from SaveZODS files OK now

Changeset: de8c2f35292536660aa8560dd8bafb988a4e44d8

comment:9 Changed 5 years ago by Stuart Campbell

This ticket has been transferred to github issue ​6507

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