KCl.py 2.14 KB
Newer Older
1
2
3
LoadWANDSCD(IPTS='7776', RunNumbers='26613', OutputWorkspace='Vana_26613', Grouping='4x4')
LoadWANDSCD(IPTS='7776', RunNumbers='27976-29776', OutputWorkspace='KCl', Grouping='4x4')

Whitfield, Ross's avatar
Whitfield, Ross committed
4
q=ConvertWANDSCDtoQ(InputWorkspace='KCl', NormalisationWorkspace='Vana_26613', KeepTemporaryWorkspaces=True,  BinningDim1='-1.22,0.42,41')
5

Whitfield, Ross's avatar
Whitfield, Ross committed
6
FindPeaksMD(InputWorkspace='q_data', PeakDistanceThreshold=0.5, MaxPeaks=100, DensityThresholdFactor=250, CalculateGoniometerForCW=True, Wavelength=1.488, OutputWorkspace='peaks')
7

Whitfield, Ross's avatar
Whitfield, Ross committed
8
FindUBUsingLatticeParameters(PeaksWorkspace='peaks', a=6.2952, b=6.2952, c=6.2952, alpha=90, beta=90, gamma=90)
9
10
11
IndexPeaks(PeaksWorkspace='peaks')

IntegratePeaksUsingClusters(InputWorkspace='q', PeaksWorkspace='peaks', Threshold=5000, OutputWorkspace='integrated', OutputWorkspaceMD='labeled')
12
13


Whitfield, Ross's avatar
Whitfield, Ross committed
14
q2=ConvertWANDSCDtoQ(InputWorkspace='KCl', NormalisationWorkspace='Vana_26613', KeepTemporaryWorkspaces=True, BinningDim0='-8.01,8.01,801', BinningDim1='-1.21,0.41,81', BinningDim2='-8.01,8.01,801')
15

Whitfield, Ross's avatar
Whitfield, Ross committed
16
FindPeaksMD(InputWorkspace='q2_data', PeakDistanceThreshold=0.5, MaxPeaks=100, DensityThresholdFactor=1300, CalculateGoniometerForCW=True, Wavelength=1.488, OutputWorkspace='peaks2')
17

Whitfield, Ross's avatar
Whitfield, Ross committed
18
FindUBUsingLatticeParameters(PeaksWorkspace='peaks2', a=6.2952, b=6.2952, c=6.2952, alpha=90, beta=90, gamma=90)
19
IndexPeaks(PeaksWorkspace='peaks2')
20

21
IntegratePeaksUsingClusters(InputWorkspace='q2', PeaksWorkspace='peaks2', Threshold=60000, OutputWorkspace='integrated2', OutputWorkspaceMD='labeled2')
22

Whitfield, Ross's avatar
Whitfield, Ross committed
23
24
25
26
27
28



# IntegratePeaksMDHKL


Whitfield, Ross's avatar
Whitfield, Ross committed
29
30
hkl=ConvertWANDSCDtoQ(InputWorkspace='KCl', NormalisationWorkspace='Vana_26613', UBWorkspace='peaks', Frame='HKL',BinningDim0='-1.22,0.42,41',BinningDim1='-8.02,8.02,401',BinningDim2='-8.02,8.02,401')

Whitfield, Ross's avatar
Whitfield, Ross committed
31
IntegratePeaksMDHKL(InputWorkspace='hkl', PeaksWorkspace='peaks', OutputWorkspace='hkl_integrated', DeltaHKL=0.5, NeighborPoints=10)
Whitfield, Ross's avatar
Whitfield, Ross committed
32

Whitfield, Ross's avatar
Whitfield, Ross committed
33

Whitfield, Ross's avatar
Whitfield, Ross committed
34
hkl2=ConvertWANDSCDtoQ(InputWorkspace='KCl', NormalisationWorkspace='Vana_26613', UBWorkspace='peaks2', Frame='HKL',BinningDim0='-1.21,0.41,81',BinningDim1='-8.01,8.01,801',BinningDim2='-8.01,8.01,801')
Whitfield, Ross's avatar
Whitfield, Ross committed
35

Whitfield, Ross's avatar
Whitfield, Ross committed
36
IntegratePeaksMDHKL(InputWorkspace='hkl2', PeaksWorkspace='peaks2', OutputWorkspace='hkl_integrated2', DeltaHKL=0.5, NeighborPoints=10)