Commit 578525a3 authored by Whitfield, Ross's avatar Whitfield, Ross
Browse files

Update Al2O3_integration_test_MDE.py

parent 2d4b537a
......@@ -10,17 +10,20 @@ import matplotlib.pyplot as plt
import numpy as np
data = LoadWANDSCD(IPTS=22745, RunNumbers='147131-148931', Grouping='4x4')
mde=ConvertWANDSCDtoMDE(data, wavelenght=1.488)
mde=ConvertSCDtoMDE(data, wavelength=1.488,MinValues='-10,-10,-10',MaxValues='10,10,10')
PredictPeaks(InputWorkspace='Q',
MinDSpacing=0.1,
PredictPeaks(InputWorkspace=data,
MinDSpacing=0.5,
ReflectionCondition='Rhombohedrally centred, obverse',
CalculateGoniometerForCW=True,
Wavelength=1.488, MaxAngle=0,
Wavelength=1.488, MinAngle=-90,MaxAngle=90,
CalculateStructureFactors=True,
OutputWorkspace='predict')
FindPeaksMD(InputWorkspace='mde',
PeakDistanceThreshold=1,
DensityThresholdFactor=10000,
CalculateGoniometerForCW=True,
OutputWorkspace='peaks')
IntegratePeaksMD(InputWorkspace=mde, PeaksWorkspace='predict', PeakRadius=0.5, OutputWorkspace='integrated')
peaks = mtd["integrated"]
for p in range(peaks.getNumberPeaks()):
peak = peaks.getPeak(p)
lorentz = np.sin(2*np.arcsin(1.488/(2*peak.getDSpacing())))
print("HKL = {:>12} int = {:>8} {:5.1f}".format(str(peak.getHKL()),peak.getIntensity(),peak.getIntensity()*lorentz))
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