hpMCA: a Python-based graphical program for energy-dispersive X-ray diffraction data collection and analysis

Energy-dispersive X-ray diffraction (EDXD) at synchrotron beamlines is commonly used for the study of material properties under high pressure and/or high temperature. Experimenters typically rely on the availability of robust data collection and analysis at a beamline, but this has become increasing...

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Bibliographic Details
Published in:High pressure research 2023-07, Vol.43 (3), p.175-191
Main Authors: Hrubiak, Rostislav, Rivers, Mark L.
Format: Article
Language:English
Subjects:
Crystal lattices
Data analysis
data analysis software
Data collection
Datasets
Detectors
Dispersion
energy dispersive
Energy resolution
Equations of state
High pressure
High temperature
Material properties
multichannel analyzer
Multidimensional data
synchrotron
Synchrotrons
Unit cell
X-ray diffraction
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Summary:Energy-dispersive X-ray diffraction (EDXD) at synchrotron beamlines is commonly used for the study of material properties under high pressure and/or high temperature. Experimenters typically rely on the availability of robust data collection and analysis at a beamline, but this has become increasingly difficult, especially with the introduction of multi-element detectors that generate complex, multi-dimensional data sets. These data sets have energy resolution, and they can also be resolved in relation to sample position, diffraction angle, or different external stimuli. We report a new Python-based graphical program, hpMCA, for EDXD data collection and analysis that streamlines the experimental process for the beamline users. The program features a user-friendly interface, capability for online viewing and analyzing data from multi-element energy-dispersive detectors, and includes features useful for working with samples under high pressure and/or high temperature, such as crystal phase identification, real-time unit cell lattice refinement, and pressure determination based on an equation of state.
ISSN:0895-7959
1477-2299
DOI:10.1080/08957959.2023.2209731