» Articles » PMID: 36777142

: a High-energy Surface X-ray Diffraction Analysis Toolkit

Overview
Date 2023 Feb 13
PMID 36777142
Authors
Affiliations
Soon will be listed here.
Abstract

This work introduces the high-energy surface X-ray diffraction analysis toolkit (), an open-source cross-platform software package written in Python to allow the extraction and processing of high-energy surface X-ray diffraction (HESXRD) data sets. Thousands of large-area detector images are collected in a single HESXRD scan, corresponding to billions of pixels and hence reciprocal space positions. is an optimized reciprocal space binner that implements a graphical user interface to allow the easy and interactive exploration of HESXRD data sets. Regions of reciprocal space can be selected with movable and resizable masks in multiple views and are projected onto different axes to allow the creation of reciprocal space maps and the extraction of crystal truncation rods. Current and future versions of can be downloaded and used free of charge.

Citing Articles

and X-ray Scattering Methods in Electrochemistry and Electrocatalysis.

Magnussen O, Drnec J, Qiu C, Martens I, Huang J, Chattot R Chem Rev. 2024; 124(3):629-721.

PMID: 38253355 PMC: 10870989. DOI: 10.1021/acs.chemrev.3c00331.

References
1.
Gustafson J, Shipilin M, Zhang C, Stierle A, Hejral U, Ruett U . High-energy surface X-ray diffraction for fast surface structure determination. Science. 2014; 343(6172):758-61. DOI: 10.1126/science.1246834. View

2.
Roobol S, Onderwaater W, Drnec J, Felici R, Frenken J . : data reduction and analysis software for two-dimensional detectors in surface X-ray diffraction. J Appl Crystallogr. 2015; 48(Pt 4):1324-1329. PMC: 4520292. DOI: 10.1107/S1600576715009607. View

3.
Hejral U, Shipilin M, Gustafson J, Stierle A, Lundgren E . High energy surface x-ray diffraction applied to model catalyst surfaces at work. J Phys Condens Matter. 2021; 33(7):073001. DOI: 10.1088/1361-648X/abb17c. View

4.
Abbondanza G, Larsson A, Carla F, Lundgren E, Harlow G . Quantitative powder diffraction using a (2 + 3) surface diffractometer and an area detector. J Appl Crystallogr. 2021; 54(Pt 4):1140-1152. PMC: 8366421. DOI: 10.1107/S1600576721006245. View