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FitGaussian dialog.
Table of Contents
| Name | Direction | Type | Default | Description |
|---|---|---|---|---|
| Workspace | Input | MatrixWorkspace | Mandatory | input workspace |
| Index | Input | number | 0 | workspace index - which spectrum to fit |
| PeakCentre | Output | number | the centre of the fitted peak | |
| Sigma | Output | number | the sigma of the fitted peak; 0. if fitting was not successful |
This algorithm fits a single peak with a Gaussian function.
It assumes that the peak centre is at or near the point with the highest value and the peak is at least three samples wide above the half maximum. It estimates the peak height, sigma, and range; then calls the Fit v1 algorithm to fit the peak curve.
The input parameters are a histogram workspace and the index of the histogram. The output parameters are the fitted peak centre and sigma. If the data could not be fitted, 0.0 is returned as both the peak centre and sigma values and a warning message is logged. Errors in parameters raise RuntimeError.
Uses the Fit v1 algorithm to fit the peak curve with a Gaussian function.
Example: fit a peak
# create a workspace with a single peak
wspace = CreateSampleWorkspace(
Function="User Defined",
UserDefinedFunction="name=Gaussian,PeakCentre=2,Height=10,Sigma=.7",
NumBanks=1, BankPixelWidth=1, XMin=0, XMax=10, BinWidth=0.1)
# attempt the fit
fitResult = FitGaussian(wspace,0)
if (0.0,0.0) == fitResult:
print("the fit was not successful")
else:
print("the fitted peak: centre={:.2f}, sigma={:.2f}".format(fitResult[0], fitResult[1]))
Output:
the fitted peak: centre=2.05, sigma=0.70
Categories: AlgorithmIndex | Optimization
Python: FitGaussian.py (last modified: 2020-03-27)