\(\renewcommand\AA{\unicode{x212B}}\)
IqtFitMultiple dialog.
Table of Contents
| Name | Direction | Type | Default | Description |
|---|---|---|---|---|
| InputWorkspace | Input | MatrixWorkspace | Mandatory | The _iqt.nxs InputWorkspace used by the algorithm |
| Function | InOut | Function | Mandatory | The function to use in fitting |
| FitType | Input | string | The type of fit being carried out | |
| StartX | Input | number | 0 | The first value for X |
| EndX | Input | number | 0.2 | The last value for X |
| SpecMin | Input | number | 0 | Minimum spectra in the workspace to fit |
| SpecMax | Input | number | 1 | Maximum spectra in the workspace to fit |
| Minimizer | Input | string | Levenberg-Marquardt | The minimizer to use in fitting |
| MaxIterations | Input | number | 500 | The Maximum number of iterations for the fit |
| ConstrainIntensities | Input | boolean | False | If the Intensities should be constrained during the fit |
| ExtractMembers | Input | boolean | False | If true, then each member of the fit will be extracted, into their own workspace. These workspaces will have a histogram for each spectrum (Q-value) and will be grouped. |
| OutputResultWorkspace | Output | MatrixWorkspace | Mandatory | The output workspace containing the results of the fit data |
| OutputParameterWorkspace | Output | TableWorkspace | Mandatory | The output workspace containing the parameters for each fit |
| OutputWorkspaceGroup | Output | WorkspaceGroup | Mandatory | The OutputWorkspace group Data, Calc and Diff, values for the fit of each spectra |
Fits an *_iqt file generated by Iqt using one of the specified functions. The functions available are either one or two exponentials (\(Intensity \times exp[-(x/\tau)]\)), a stretched exponential (\(Intensity \times exp[-(x/\tau)]\beta\)) or a combination of both an exponential and stretched exponential.
This routine was originally part of the MODES package.
Example - Running IqtFitMultiple on an reduced workspace.
#Load in iqt data
input_ws = Load(Filename='iris26176_graphite002_iqt.nxs')
function = r'name=LinearBackground,A0=0.027668,A1=0,ties=(A1=0);name=UserFunction,Formula=Intensity*exp(-(x/Tau)^Beta),Intensity=0.972332,Tau=0.0247558,Beta=1;ties=(f1.Intensity=1-f0.A0)'
#run IqtFitMultiple
result, params, fit_group = IqtFitMultiple(InputWorkspace=input_ws, Function=function, FitType='1S_s', StartX=0, EndX=0.2, SpecMin=0, SpecMax=16)
Categories: AlgorithmIndex | Workflow\MIDAS
Python: IqtFitMultiple.py