Ticket #4524: Workflow.py

File Workflow.py, 772 bytes (added by Owen Arnold, 9 years ago)
Line 
1# Basic parameters
2filename = "TOPAZ_3131_event.nxs"
3#Name of the workspaces to create
4ws = "TOPAZ_3131"
5
6# Load the original data
7LoadEventNexus(Filename=filename,OutputWorkspace=ws)
8
9# Convert to reciprocal space, in the sample frame
10ConvertToDiffractionMDWorkspace(InputWorkspace=ws,OutputWorkspace=ws+'_MD',
11                OutputDimensions='Q (lab frame)',LorentzCorrection='1')
12               
13# Find peaks
14FindPeaksMD(InputWorkspace=ws+'_MD',MaxPeaks='50',OutputWorkspace=ws+'_peaks')
15
16# Find the UB matrix using the peaks and known lattice parameters
17FindUBUsingLatticeParameters(PeaksWorkspace=ws+'_peaks',a='10.3522',b='6.0768',c='4.7276',
18                alpha='90',beta='90',gamma='90', NumInitial='20', Tolerance='0.12')
19# And index to HKL             
20IndexPeaks(PeaksWorkspace=ws+'_peaks', Tolerance='0.12')
21