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MuscatSofQW v1

MuscatSofQW dialog.

Summary

Calculates an S(Q, w) from fitted parameters for use in Muscat.

Properties

Name	Direction	Type	Default	Description
SampleWorkspace	Input	MatrixWorkspace	Mandatory	Name for the input Sample workspace.
ResolutionWorkspace	Input	MatrixWorkspace	Mandatory	Name for the input Resolution workspace.
ParameterWorkspace	Input	MatrixWorkspace	Mandatory	Name for the input Parameters workspace.
EnergyMax	Input	number	0.5	Energy maximum
EnergyInc	Input	number	0.005	Energy increment
OutputWorkspace	Output	MatrixWorkspace	Mandatory	Output workspace in S(Q, w)

Description

This algorithm calculates an S(Q, w) from the fitted results of a ConvFit: one or two Lorentzians. The Q, w range is that for the input _red workspace. A resolution _res is also needed for the elastic/delta-function peak.

The object is to create a S(Q, w) with an energy range greater than that of the measured Q, w to provide a better calculation for multiple scattering.

The ParameterWorkspace workspace must contain the following sample logs present when using ConvFit to fit either one or two Lorentzians:

• program=”ConvFit”

• ‘lorenztians’

Workflow

Usage

Example - MuscatSofQW

sample = Load('irs26176_graphite002_red.nxs')
resolution = Load('irs26173_graphite002_res.nxs')
parameters = Load('irs26176_graphite002_conv_1LFixF_s0_to_9_Result.nxs')

sqw = MuscatSofQW(SampleWorkspace=sample,
                  ResolutionWorkspace=resolution,
                  ParameterWorkspace=parameters)

print('S(Q, w) workspace is intensity as a function of {0} and {1}'.format(
      sqw.getAxis(0).getUnit().unitID(),
      sqw.getAxis(1).getUnit().unitID()))

Output:

S(Q, w) workspace is intensity as a function of Energy and MomentumTransfer

Categories: AlgorithmIndex | Workflow\MIDAS

Source

Python: MuscatSofQW.py