Update Al2O3.py

Al2O3.py

+# The following line helps with future compatibility with Python 3
+# print must now be used as a function, e.g print('Hello','World')
+from __future__ import (absolute_import, division, print_function, unicode_literals)
+
+# import mantid algorithms, numpy and matplotlib
+from mantid.simpleapi import *
+
+import matplotlib.pyplot as plt
+
+import numpy as np
+
+data = LoadWANDSCD(IPTS=22745, RunNumbers='145330-147130')
+mde = ConvertHFIRSCDtoMDE(data, wavelength=1.488)
+
+PredictPeaks(InputWorkspace=data,
+             MinDSpacing=0.5,
+             ReflectionCondition='Rhombohedrally centred, obverse',
+             CalculateGoniometerForCW=True,
+             Wavelength=1.488,
+             MinAngle=-90,MaxAngle=90,
+             CalculateStructureFactors=True,
+             OutputWorkspace='predict')
+
+IntegratePeaksMD(InputWorkspace=mde,
+                 PeaksWorkspace='predict',
+                 PeakRadius=0.5,
+                 OutputWorkspace='integrated')
+
+IntegratePeaksMD(InputWorkspace=mde,
+                 PeaksWorkspace='predict',
+                 PeakRadius=0.5,
+                 BackgroundOuterRadius=0.75,
+                 OutputWorkspace='integrated_bkg')
+
+peaks = mtd['integrated']
+for p in range(peaks.getNumberPeaks()):
+        peak = peaks.getPeak(p)
+        if peak.getL() == 0:
+            print("HKL = {:>12} int = {:>8}".format(str(peak.getHKL()),peak.getIntensity()))