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hpMCA: A Python-based Graphical Program for Energy Dispersive X-Ray Diffraction Data Collection and Analysis

Journal Article · · High Pressure Research

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.

Research Organization:
Argonne National Laboratory (ANL)
Sponsoring Organization:
USDOE National Nuclear Security Administration (NNSA) - Office of Experimental Sciences (NA-113); USDOE Office of Science - Office of Basic Energy Sciences - Scientific User Facilities Division; National Science Foundation (NSF) - Directorate for Geosciences Division of Earth Sciences (GEO/EAR)
DOE Contract Number:
AC02-06CH11357
OSTI ID:
2404504
Journal Information:
High Pressure Research, Journal Name: High Pressure Research Journal Issue: 3 Vol. 43; ISSN 0895-7959
Country of Publication:
United States
Language:
English

References (19)

GSAS-II : the genesis of a modern open-source all purpose crystallography software package journal March 2013
Two-dimensional detector software: From real detector to idealised image or two-theta scan journal January 1996
BurnMan: A lower mantle mineral physics toolkit journal April 2014
A new technique for angle-dispersive powder diffraction using an energy-dispersive setup and synchrotron radiation journal November 2004
High-pressure studies with x-rays using diamond anvil cells journal November 2016
“CUBE”, A low-noise CMOS preamplifier as alternative to JFET front-end for high-count rate spectroscopy
  • Bombelli, L.; Fiorini, C.; Frizzi, T.
  • 2011 IEEE Nuclear Science Symposium and Medical Imaging Conference (2011 NSS/MIC), 2011 IEEE Nuclear Science Symposium Conference Record https://doi.org/10.1109/NSSMIC.2011.6154396
conference October 2011
Multimode scanning X-ray diffraction microscopy for diamond anvil cell experiments journal February 2019
Finite Elastic Strain of Cubic Crystals journal June 1947
XRDA : a program for energy-dispersive X-ray diffraction analysis on a PC journal June 1994
The experimental physics and industrial control system architecture: past, present, and future
  • Dalesio, Leo R.; Hill, Jeffrey O.; Kraimer, Martin
  • Nuclear Instruments and Methods in Physics Research Section A: Accelerators, Spectrometers, Detectors and Associated Equipment, Vol. 352, Issue 1-2 https://doi.org/10.1016/0168-9002(94)91493-1
journal December 1994
P⿢V⿢T relation of MgO derived by simultaneous elastic wave velocity and in situ X-ray measurements: A new pressure scale for the mantle transition region journal November 2010
Thermodynamics of mantle minerals - I. Physical properties journal August 2005
Extreme conditions research using the large-volume press at the P61B endstation, PETRA III journal February 2022
A multiplatform code for the analysis of energy-dispersive X-ray fluorescence spectra journal January 2007
Toward comprehensive studies of liquids at high pressures and high temperatures: Combined structure, elastic wave velocity, and viscosity measurements in the Paris–Edinburgh cell journal March 2014
Multi-element germanium detectors for synchrotron applications journal April 2018
Combined angular and energy dispersive diffraction: optimized data acquisition, normalization and reduction journal February 2022
Application of X-ray energy-dispersive diffraction for characterization of materials under high pressure journal January 1989
DIOPTAS : a program for reduction of two-dimensional X-ray diffraction data and data exploration journal May 2015

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