CentroidPeaksMD dialog.
Table of Contents
Find the centroid of single-crystal peaks in a MDEventWorkspace, in order to refine their positions.
| Name | Direction | Type | Default | Description |
|---|---|---|---|---|
| InputWorkspace | Input | MDEventWorkspace | Mandatory | An input MDEventWorkspace. |
| CoordinatesToUse | Input | string | HKL | Ignored: algorithm uses the InputWorkspace’s coordinates. Allowed values: [‘Q (lab frame)’, ‘Q (sample frame)’, ‘HKL’] |
| PeakRadius | Input | number | 1 | Fixed radius around each peak position in which to calculate the centroid. |
| PeaksWorkspace | Input | PeaksWorkspace | Mandatory | A PeaksWorkspace containing the peaks to centroid. |
| OutputWorkspace | Output | PeaksWorkspace | The output PeaksWorkspace will be a copy of the input PeaksWorkspace with the peaks’ positions modified by the new found centroids. |
This algorithm starts with a PeaksWorkspace containing the expected positions of peaks in reciprocal space. It calculates the centroid of the peak by calculating the average of the coordinates of all events within a given radius of the peak, weighted by the weight (signal) of the event.
The V1 of the algorithm is deprecated and left for compartibility with the scripts, which have the property CoordinatesToUse set. Use CentroidPeaksMD v2 for any new scripts.
Categories: Algorithms | MDAlgorithms