GetDetectorOffsets
From MantidProject
Contents |
Summary
Creates a .cal file containing offsets for each detector.
Properties
| Order | Name | Direction | Type | Default | Description |
|---|---|---|---|---|---|
| 1 | InputWorkspace | Input | Workspace | Mandatory | A 2D workspace with X values of d-spacing. The workspace must have first been processed with CrossCorrelate. |
| 2 | OutputWorkspace | Output | Workspace | Mandatory | Workspace containing the offsets. |
| 3 | Step | Input | Double | 0.01 | The step size. |
| 4 | DReference | Input | Double | 2.0 | The expected peak position in d-spacing. |
| 5 | XMin | Input | Double | 0.0 | The start of the X range for fitting. |
| 6 | XMax | Input | Double | 0.0 | The end of the X range for fitting |
| 7 | GroupingFileName | Input | Filename | Mandatory | The name of the output CalFile (.cal extension) |
Description
This algorithm requires a workspace that is both in d-spacing, but has also been preprocessed by the CrossCorrelate algorithm. In this first step you select one spectrum to be the reference spectrum and all of the other spectrum are cross correlated against it. Each output spectrum then contains a peak whose location defines the offset from the reference spectrum.
The algorithm iterates over each spectrum in the workspace and fits a Gaussian function to the reference peak. The fit is used to calculate the centre of the fitted peak, and the offset is then calculated as:
− peakCentre * step / (dreference + PeakCentre * step)
This is then written into a .cal file for every detector that contributes to that spectrum. All of the entries in the cal file are initially set to both be included, but also to all group into a single group on DiffractionFocussing. The CreateCalFileByNames algorithm can be used to alter the grouping in the cal file.
Usage
Python
GetDetectorOffsets("InputW","OutputW",0.01,2.0,1.8,2.2,"output.cal")
Source Code
Header GetDetectorOffsets.h
Source GetDetectorOffsets.cpp
