def Find_Peaks(rnum, long_cell, threshold, MaxPeaks, centroid_radius, edge_pixel): mantid.PeakDistanceThreshold = 0.9 * 3.14 / long_cell mantid.FindPeaksMD(InputWorkspace='WISH000' + str(rnum) + '_MD', PeakDistanceThreshold=PeakDistanceThreshold, MaxPeaks=MaxPeaks, DensityThresholdFactor=threshold, OutputWorkspace='WISH000' + str(rnum) + '_find_peaks', EdgePixels=edge_pixel) mantid.CentroidPeaksMD(InputWorkspace='WISH000' + str(rnum) + '_MD', PeakRadius=centroid_radius, PeaksWorkspace='WISH000' + str(rnum) + '_find_peaks', OutputWorkspace='WISH000' + str(rnum) + '_find_peaks')
LinearAbsorptionCoef=0.993, Radius=0.14) # Convert to Q space LabQ = mantid.ConvertToDiffractionMDWorkspace(InputWorkspace=ws, LorentzCorrection='0', OutputDimensions='Q (lab frame)', SplitInto=2, SplitThreshold=150) # Find peaks PeaksLattice = mantid.FindPeaksMD(InputWorkspace=LabQ, MaxPeaks=100) # 3d integration to centroid peaks PeaksLattice = mantid.CentroidPeaksMD(InputWorkspace=LabQ, PeakRadius=0.12, PeaksWorkspace=PeaksLattice) # Find the UB matrix using the peaks and known lattice parameters mantid.FindUBUsingLatticeParameters(PeaksWorkspace=PeaksLattice, a=10.3522, b=6.0768, c=4.7276, alpha=90, beta=90, gamma=90, NumInitial=20, Tolerance=0.12) # And index to HKL mantid.IndexPeaks(PeaksWorkspace=PeaksLattice, Tolerance=0.12)