def Norm_data(rnum, cycle):
# Load and normalize SX data
mantid.LoadRaw(
Filename='/archive/Instruments$/NDXWISH/Instrument/data/cycle_' +
cycle + '/WISH000' + str(rnum) + '.raw',
OutputWorkspace='WISH000' + str(rnum),
LoadMonitors='Separate')
# ConvertToEventWorkspace(InputWorkspace='WISH000'+str(rnum), OutputWorkspace='WISH000'+str(rnum))
mantid.CropWorkspace(InputWorkspace='WISH000' + str(rnum),
OutputWorkspace='WISH000' + str(i),
XMin=6000,
XMax=99000)
mantid.ConvertUnits(InputWorkspace='WISH000' + str(rnum),
OutputWorkspace='WISH000' + str(rnum),
Target='Wavelength')
mantid.NormaliseByCurrent(InputWorkspace='WISH000' + str(rnum),
OutputWorkspace='WISH000' + str(rnum))
# normalize By vanadium PredictPeaks
mantid.CropWorkspace(InputWorkspace='WISH000' + str(rnum),
OutputWorkspace='WISH000' + str(rnum),
XMin=0.75,
XMax=9.3)
mantid.RebinToWorkspace(WorkspaceToRebin='Vana_smoot1',
WorkspaceToMatch='WISH000' + str(rnum),
OutputWorkspace='Vana_smoot1')
mantid.Divide(LHSWorkspace='WISH000' + str(rnum),
RHSWorkspace='Vana_smoot1',
OutputWorkspace='WISH000' + str(rnum))
# remove spike in the data above 1e15 and -1e15
mantid.ReplaceSpecialValues(InputWorkspace='WISH000' + str(rnum),
OutputWorkspace='WISH000' + str(rnum),
NaNValue=0,
InfinityValue=0,
BigNumberThreshold=1e15,
SmallNumberThreshold=-1e15)
# Convert to Diffraction MD and Lorentz Correction
mantid.ConvertToDiffractionMDWorkspace(
InputWorkspace='WISH000' + str(rnum),
OutputWorkspace='WISH000' + str(rnum) + '_MD',
LorentzCorrection=True)
FilterByTofMin=3000,
FilterByTofMax=16000)
# ------------------------------------------------------------------------------------------------------------------------------------------
# Part 1. Basic Reduction
# Spherical Absorption and Lorentz Corrections
ws = mantid.AnvredCorrection(InputWorkspace=ws,
LinearScatteringCoef=0.451,
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,
print(latt.gamma())
#
# Exclude the monitors when loading the raw SXD file. This avoids
#
mantid.Load(Filename='SXD23767.raw',
OutputWorkspace='SXD23767',
LoadMonitors='Exclude')
#
# A lower SplitThreshold, with a reasonable bound on the recursion depth, helps find weaker peaks at higher Q.
#
QLab = mantid.ConvertToDiffractionMDWorkspace(InputWorkspace='SXD23767',
OutputDimensions='Q (lab frame)',
SplitThreshold=50,
LorentzCorrection='1',
MaxRecursionDepth='13',
Extents='-15,15,-15,15,-15,15')
#
# NaCl has a relatively small unit cell, so the distance between peaks is relatively large. Setting the PeakDistanceThreshold
# higher avoids finding high count regions on the sides of strong peaks as separate peaks.
#
peaks_qLab = mantid.FindPeaksMD(InputWorkspace='QLab',
MaxPeaks=300,
DensityThresholdFactor=10,
PeakDistanceThreshold=1.0)
#
# Fewer peaks index if Centroiding is used. This indicates that there may be an error in the centroiding algorithm,
# since the peaks seem to be less accurate.