Commit 8f36aaab authored by Whitfield, Ross's avatar Whitfield, Ross
Browse files

Update Al2O3_integration_test_MDE.py

parent 578525a3
......@@ -10,20 +10,23 @@ import matplotlib.pyplot as plt
import numpy as np
data = LoadWANDSCD(IPTS=22745, RunNumbers='147131-148931', Grouping='4x4')
mde=ConvertSCDtoMDE(data, wavelength=1.488,MinValues='-10,-10,-10',MaxValues='10,10,10')
mde = ConvertHFIRSCDtoMDE(data, wavelength=1.488,MinValues='-10,-10,-10',MaxValues='10,10,10')
PredictPeaks(InputWorkspace=data,
MinDSpacing=0.5,
ReflectionCondition='Rhombohedrally centred, obverse',
MinDSpacing=0.5,
ReflectionCondition='Rhombohedrally centred, obverse',
CalculateGoniometerForCW=True,
Wavelength=1.488, MinAngle=-90,MaxAngle=90,
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,
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))
print("HKL = {:>12} int = {:>8} {:5.1f}".format(str(peak.getHKL()),peak.getIntensity(),peak.getIntensity()))
Markdown is supported
0% or .
You are about to add 0 people to the discussion. Proceed with caution.
Finish editing this message first!
Please register or to comment