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inserexs: reflection choice software for resonant elastic X-ray scattering

This paper presents inserexs, an open-source computer program that aims to pre-evaluate the different reflections for resonant elastic X-ray scattering (REXS) diffraction experiments. REXS is an extremely versatile technique that can provide positional and occupational information about the atoms pr...

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Detalles Bibliográficos
Autores principales: Peña Corredor, Antonio, Viart, Nathalie, Lefevre, Christophe
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2023
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10241054/
https://www.ncbi.nlm.nih.gov/pubmed/37284260
http://dx.doi.org/10.1107/S1600576723002212
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author Peña Corredor, Antonio
Viart, Nathalie
Lefevre, Christophe
author_facet Peña Corredor, Antonio
Viart, Nathalie
Lefevre, Christophe
author_sort Peña Corredor, Antonio
collection PubMed
description This paper presents inserexs, an open-source computer program that aims to pre-evaluate the different reflections for resonant elastic X-ray scattering (REXS) diffraction experiments. REXS is an extremely versatile technique that can provide positional and occupational information about the atoms present in a crystal. inserexs was conceived to help REXS experimentalists know beforehand which reflections to choose to determine a parameter of interest. Prior work has already proven this to be useful in the determination of atomic positions in oxide thin films. inserexs allows generalization to any given system and aims to popularize resonant diffraction as an alternative technique to improve the resolution of crystalline structures.
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spelling pubmed-102410542023-06-06 inserexs: reflection choice software for resonant elastic X-ray scattering Peña Corredor, Antonio Viart, Nathalie Lefevre, Christophe J Appl Crystallogr Computer Programs This paper presents inserexs, an open-source computer program that aims to pre-evaluate the different reflections for resonant elastic X-ray scattering (REXS) diffraction experiments. REXS is an extremely versatile technique that can provide positional and occupational information about the atoms present in a crystal. inserexs was conceived to help REXS experimentalists know beforehand which reflections to choose to determine a parameter of interest. Prior work has already proven this to be useful in the determination of atomic positions in oxide thin films. inserexs allows generalization to any given system and aims to popularize resonant diffraction as an alternative technique to improve the resolution of crystalline structures. International Union of Crystallography 2023-04-13 /pmc/articles/PMC10241054/ /pubmed/37284260 http://dx.doi.org/10.1107/S1600576723002212 Text en © Antonio Peña Corredor et al. 2023 https://creativecommons.org/licenses/by/4.0/This is an open-access article distributed under the terms of the Creative Commons Attribution (CC-BY) Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.
spellingShingle Computer Programs
Peña Corredor, Antonio
Viart, Nathalie
Lefevre, Christophe
inserexs: reflection choice software for resonant elastic X-ray scattering
title inserexs: reflection choice software for resonant elastic X-ray scattering
title_full inserexs: reflection choice software for resonant elastic X-ray scattering
title_fullStr inserexs: reflection choice software for resonant elastic X-ray scattering
title_full_unstemmed inserexs: reflection choice software for resonant elastic X-ray scattering
title_short inserexs: reflection choice software for resonant elastic X-ray scattering
title_sort inserexs: reflection choice software for resonant elastic x-ray scattering
topic Computer Programs
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10241054/
https://www.ncbi.nlm.nih.gov/pubmed/37284260
http://dx.doi.org/10.1107/S1600576723002212
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