| 1 | # Basic parameters for Triphylite Crystal |
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| 2 | #Name of the workspaces to create |
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| 3 | ws = "TOPAZ_3132" |
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| 4 | filename = ws+"_event.nxs" |
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| 5 | LoadEventNexus(Filename=filename,OutputWorkspace=ws,FilterByTofMin='3000',FilterByTofMax='16000') |
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| 6 | |
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| 7 | # Load optimized DetCal file |
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| 8 | #LoadIsawDetCal(InputWorkspace=ws,Filename="/SNS/TOPAZ/shared/Spectra/TOPAZ_8Sept11.DetCal") |
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| 9 | |
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| 10 | # Spherical Absorption and Lorentz Corrections |
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| 11 | AnvredCorrection(InputWorkspace=ws,OutputWorkspace=ws,LinearScatteringCoef="0.451",LinearAbsorptionCoef="0.993",Radius="0.14") |
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| 12 | |
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| 13 | # Convert to Q space |
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| 14 | ConvertToDiffractionMDWorkspace(InputWorkspace=ws,OutputWorkspace=ws+'_MD2',LorentzCorrection='0', |
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| 15 | OutputDimensions='Q (lab frame)', SplitInto='2',SplitThreshold='150') |
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| 16 | # Find peaks |
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| 17 | FindPeaksMD(InputWorkspace=ws+'_MD2',MaxPeaks='100',OutputWorkspace=ws+'_peaksLattice') |
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| 18 | # 3d integration to centroid peaks |
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| 19 | CentroidPeaksMD(InputWorkspace=ws+'_MD2',CoordinatesToUse='Q (lab frame)', |
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| 20 | PeakRadius='0.12',PeaksWorkspace=ws+'_peaksLattice',OutputWorkspace=ws+'_peaksLattice') |
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| 21 | # Find the UB matrix using the peaks and known lattice parameters |
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| 22 | FindUBUsingLatticeParameters(PeaksWorkspace=ws+'_peaksLattice',a='10.3522',b='6.0768',c='4.7276', |
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| 23 | alpha='90',beta='90',gamma='90', NumInitial='20', Tolerance='0.12') |
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| 24 | # And index to HKL |
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| 25 | IndexPeaks(PeaksWorkspace=ws+'_peaksLattice', Tolerance='0.12') |
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| 26 | # Integrate peaks in Q space using spheres |
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| 27 | IntegratePeaksMD(InputWorkspace=ws+'_MD2',PeakRadius='0.12', |
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| 28 | BackgroundOuterRadius='0.18',BackgroundInnerRadius='0.15', |
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| 29 | PeaksWorkspace=ws+'_peaksLattice',OutputWorkspace=ws+'_peaksNoEdge',IntegrateIfOnEdge=False) |
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| 30 | IntegratePeaksMD(InputWorkspace=ws+'_MD2',PeakRadius='0.12', |
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| 31 | BackgroundOuterRadius='0.18',BackgroundInnerRadius='0.15', |
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| 32 | PeaksWorkspace=ws+'_peaksLattice',OutputWorkspace=ws+'_peaksEdge') |
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