Table of Contents
Name | Direction | Type | Default | Description |
---|---|---|---|---|
ResolutionWorkspace | Input | MatrixWorkspace | Mandatory | Workspace containing resolution |
VanadiumWorkspace | Input | MatrixWorkspace | Mandatory | Workspace containing reduction of vanadium run |
EnergyMin | Input | number | -0.2 | Minimum energy for fit. Default=-0.2 |
EnergyMax | Input | number | 0.2 | Maximum energy for fit. Default=0.2 |
CreateOutput | Input | boolean | False | Create additional fitting output |
OutputWorkspace | Output | WorkspaceGroup | Mandatory | Fitted parameter output |
This algorithm fits the variation of the width of the resolution file to give a stretch factor and fits the peak intensities by normalising the peak area to unity and performing a linear fit with the vanadium.
The outpout workspace is a WorkspaceGroup containing two MatrixWorkspaces named _Intensity and _Stretch with the fitted parameters.
Example - a basic example using ResNorm.
def createSampleWorkspace(name, num_spec=10, random=False):
"""
Creates a sample workspace with a single lorentzian that looks like IRIS data
"""
import os
# Create sample data
function = "name=Lorentzian,Amplitude=8,PeakCentre=5,FWHM=0.7"
ws = CreateSampleWorkspace("Histogram",
Function="User Defined",
UserDefinedFunction=function,
XUnit="DeltaE",
Random=random,
XMin=0,
XMax=10,
BinWidth=0.01)
# Reduce number of spectra
ws = CropWorkspace(ws,
StartWorkspaceIndex=0,
EndWorkspaceIndex=num_spec-1)
ws = ScaleX(ws, -5, "Add")
ws = ScaleX(ws, 0.1, "Multiply")
# Load instrument and instrument parameters
LoadInstrument(ws, InstrumentName='IRIS')
path = os.path.join(config['instrumentDefinition.directory'], 'IRIS_graphite_002_Parameters.xml')
LoadParameterFile(ws, Filename=path)
ws = RenameWorkspace(ws, OutputWorkspace=name)
return ws
van = createSampleWorkspace("irs26173_graphite002_red", random=True)
res = createSampleWorkspace("irs26173_graphite002_res", num_spec=1)
res_norm = ResNorm(ResolutionWorkspace=res,
VanadiumWorkspace=van,
Version=2)
Categories: Algorithms | Workflow | MIDAS | PythonAlgorithms
Python: ResNorm2.py