\(\renewcommand\AA{\unicode{x212B}}\)

CentroidPeaksMD v1

../_images/ImageNotFound.png

Enable screenshots using DOCS_SCREENSHOTS in CMake

Warning

CentroidPeaksMD is deprecated. Use CentroidPeaksMD version 2 instead.

Summary

Find the centroid of single-crystal peaks in a MDEventWorkspace, in order to refine their positions.

Properties

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

Mandatory

The output PeaksWorkspace will be a copy of the input PeaksWorkspace with the peaks’ positions modified by the new found centroids.

Description

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: AlgorithmIndex | MDAlgorithms\Peaks | Deprecated

Source

C++ header: CentroidPeaksMD.h

C++ source: CentroidPeaksMD.cpp