HERMES – a GUI-based software tool for pre-processing of X-ray absorption spectroscopy data from laboratory Rowland circle spectrometers

HERMES, a graphical user interface software tool, is presented, for pre-processing X-ray absorption spectroscopy (XAS) data from laboratory Rowland circle spectrometers, to meet the data handling needs of a growing community of practice. HERMES enables laboratory XAS data to be displayed for quality...

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Detalles Bibliográficos
Autores principales: Seddon-Ferretti, Marco E., Mottram, Lucy M., Stennett, Martin C., Corkhill, Claire L., Hyatt, Neil C.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2022
Materias:
Computer Programs
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8733975/
https://www.ncbi.nlm.nih.gov/pubmed/34985445
http://dx.doi.org/10.1107/S1600577521012583
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author Seddon-Ferretti, Marco E.
Mottram, Lucy M.
Stennett, Martin C.
Corkhill, Claire L.
Hyatt, Neil C.
author_facet Seddon-Ferretti, Marco E.
Mottram, Lucy M.
Stennett, Martin C.
Corkhill, Claire L.
Hyatt, Neil C.
author_sort Seddon-Ferretti, Marco E.
collection PubMed
description HERMES, a graphical user interface software tool, is presented, for pre-processing X-ray absorption spectroscopy (XAS) data from laboratory Rowland circle spectrometers, to meet the data handling needs of a growing community of practice. HERMES enables laboratory XAS data to be displayed for quality assessment, merging of data sets, polynomial fitting of smoothly varying data, and correction of data to the true energy scale and for dead-time and leakage effects. The software is written in Java 15 programming language, and runs on major computer operating systems, with graphics implementation using the JFreeChart toolkit. HERMES is freely available and distributed under an open source licence.
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spelling pubmed-87339752022-01-19 HERMES – a GUI-based software tool for pre-processing of X-ray absorption spectroscopy data from laboratory Rowland circle spectrometers Seddon-Ferretti, Marco E. Mottram, Lucy M. Stennett, Martin C. Corkhill, Claire L. Hyatt, Neil C. J Synchrotron Radiat Computer Programs HERMES, a graphical user interface software tool, is presented, for pre-processing X-ray absorption spectroscopy (XAS) data from laboratory Rowland circle spectrometers, to meet the data handling needs of a growing community of practice. HERMES enables laboratory XAS data to be displayed for quality assessment, merging of data sets, polynomial fitting of smoothly varying data, and correction of data to the true energy scale and for dead-time and leakage effects. The software is written in Java 15 programming language, and runs on major computer operating systems, with graphics implementation using the JFreeChart toolkit. HERMES is freely available and distributed under an open source licence. International Union of Crystallography 2022-01-01 /pmc/articles/PMC8733975/ /pubmed/34985445 http://dx.doi.org/10.1107/S1600577521012583 Text en © Marco E. Seddon-Ferretti et al. 2022 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
Seddon-Ferretti, Marco E.
Mottram, Lucy M.
Stennett, Martin C.
Corkhill, Claire L.
Hyatt, Neil C.
HERMES – a GUI-based software tool for pre-processing of X-ray absorption spectroscopy data from laboratory Rowland circle spectrometers
title HERMES – a GUI-based software tool for pre-processing of X-ray absorption spectroscopy data from laboratory Rowland circle spectrometers
title_full HERMES – a GUI-based software tool for pre-processing of X-ray absorption spectroscopy data from laboratory Rowland circle spectrometers
title_fullStr HERMES – a GUI-based software tool for pre-processing of X-ray absorption spectroscopy data from laboratory Rowland circle spectrometers
title_full_unstemmed HERMES – a GUI-based software tool for pre-processing of X-ray absorption spectroscopy data from laboratory Rowland circle spectrometers
title_short HERMES – a GUI-based software tool for pre-processing of X-ray absorption spectroscopy data from laboratory Rowland circle spectrometers
title_sort hermes – a gui-based software tool for pre-processing of x-ray absorption spectroscopy data from laboratory rowland circle spectrometers
topic Computer Programs
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8733975/
https://www.ncbi.nlm.nih.gov/pubmed/34985445
http://dx.doi.org/10.1107/S1600577521012583
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