Update optimizecelltype.py

optimizecelltype.py

+# import mantid algorithms, numpy and matplotlib
+from mantid.simpleapi import *
+import matplotlib.pyplot as plt
+import numpy as np
+
+LoadMD('HB2C_WANDSCD_data.nxs', OutputWorkspace='data')
+SetGoniometer('data', Axis0='s1,0,1,0,1', Average=False)
+Q = ConvertHFIRSCDtoMDE(InputWorkspace='data', Wavelength=1.488)
+peaks = FindPeaksMD(InputWorkspace=Q, PeakDistanceThreshold=2.2, CalculateGoniometerForCW=True, Wavelength=1.488)
+FindUBUsingLatticeParameters(peaks,a=5.6,b=5.6,c=5.6,alpha=90,beta=90,gamma=90)
+IndexPeaks(peaks)
+
+OptimizeLatticeForCellType(peaks,CellType='Cubic')
+OptimizeLatticeForCellType(peaks,CellType='Tetragonal')
+OptimizeLatticeForCellType(peaks,CellType='Orthorhombic')