Commit fe3e4c43 authored by Whitfield, Ross's avatar Whitfield, Ross
Browse files

Update optimizecelltype.py

parent 2ff2bac1
# import mantid algorithms, numpy and matplotlib
from mantid.simpleapi import *
import matplotlib.pyplot as plt
import numpy as np
LoadMD('HB2C_WANDSCD_data.nxs', OutputWorkspace='data')
SetGoniometer('data', Axis0='s1,0,1,0,1', Average=False)
Q = ConvertHFIRSCDtoMDE(InputWorkspace='data', Wavelength=1.488)
peaks = FindPeaksMD(InputWorkspace=Q, PeakDistanceThreshold=2.2, CalculateGoniometerForCW=True, Wavelength=1.488)
FindUBUsingLatticeParameters(peaks,a=5.6,b=5.6,c=5.6,alpha=90,beta=90,gamma=90)
IndexPeaks(peaks)
OptimizeLatticeForCellType(peaks,CellType='Cubic')
OptimizeLatticeForCellType(peaks,CellType='Tetragonal')
OptimizeLatticeForCellType(peaks,CellType='Orthorhombic')
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