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| 2 | |
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| 3 | # |
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| 4 | # Exclude the monitors when loading the raw SXD file. This avoids |
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| 5 | # |
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| 6 | SXD23767=Load(Filename='SXD23767.raw',LoadMonitors='Exclude') |
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| 7 | |
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| 8 | # |
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| 9 | # A lower SplitThreshold, with a reasonable bound on the recursion depth, helps find weaker peaks at higher Q. |
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| 10 | # |
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| 11 | #QLab = ConvertToMD(InputWorkspace=SXD23767,OutputWorkspace='QLab',QDimensions='Q3D',dEAnalysisMode='Elastic',MinValues='-15,-15,-15',MaxValues='15,15,15',SplitThreshold='50',MaxRecursionDepth='13') |
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| 12 | QLab = ConvertToDiffractionMDWorkspace(InputWorkspace=SXD23767, OutputDimensions='Q (lab frame)', SplitThreshold=50, LorentzCorrection='1',MaxRecursionDepth='13',Extents='-15,15,-15,15,-15,15') |
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| 13 | # |
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| 14 | # NaCl has a relatively small unit cell, so the distance between peaks is relatively large. Setting the PeakDistanceThreshold |
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| 15 | # higher avoids finding high count regions on the sides of strong peaks as separate peaks. |
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| 16 | # |
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| 17 | peaks_qLab = FindPeaksMD(InputWorkspace='QLab', MaxPeaks=300, DensityThresholdFactor=10,PeakDistanceThreshold=1.0) |
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| 18 | |
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| 19 | binned = BinMD(InputWorkspace=QLab,AlignedDim0='Q_lab_x,-10,10,300',AlignedDim1='Q_lab_y,-10,10,300',AlignedDim2='Q_lab_z,-10,10,300') |
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| 20 | |
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| 21 | clusters = IntegratePeaksUsingClusters(InputWorkspace=binned, PeaksWorkspace=peaks_qLab, Threshold=10000) |
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