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

• Published in: High pressure research Vol. 43; no. 3; pp. 175 - 191
• Main Authors: Hrubiak, Rostislav, Rivers, Mark L.
• Format: Journal Article
• Language: English
• Published: Abingdon Taylor & Francis 03.07.2023; Taylor & Francis Ltd
• 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
• ISSN: 0895-7959; 1477-2299
• DOI: 10.1080/08957959.2023.2209731

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.