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Digitization of imaging plates from Guinier powder X-ray diffraction cameras

A Guinier camera equipped with an imaging plate is used to investigate and eliminate the sources of instrumental errors affecting the quality of the obtained scanned Guinier data. A program with a graphical user interface is presented which converts the data of the scanned images into different stan...

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Autores principales: Nasir, Jamal, Steinbrück, Nils, Xu, Ke, Engelen, Bernward, Schmedt auf der Günne, Jörn
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2022
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9533741/
https://www.ncbi.nlm.nih.gov/pubmed/36249503
http://dx.doi.org/10.1107/S160057672200677X
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author Nasir, Jamal
Steinbrück, Nils
Xu, Ke
Engelen, Bernward
Schmedt auf der Günne, Jörn
author_facet Nasir, Jamal
Steinbrück, Nils
Xu, Ke
Engelen, Bernward
Schmedt auf der Günne, Jörn
author_sort Nasir, Jamal
collection PubMed
description A Guinier camera equipped with an imaging plate is used to investigate and eliminate the sources of instrumental errors affecting the quality of the obtained scanned Guinier data. A program with a graphical user interface is presented which converts the data of the scanned images into different standard file formats for powder X-ray patterns containing intensities, their standard deviations and the diffraction angles. The program also allows for manual and automatic correction of the 2θ scale against a known reference material. It is shown using LaB(6) that the exported X-ray diffraction patterns provide a 2θ scale reproducible enough to allow for averaging diffractograms obtained from different exposures of the imaging plate for the same sample. As shown on a mixture of NaCl and sodalite, the quality of the produced data is sufficient for Rietveld refinement. The software including source code is made available under a free software license.
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spelling pubmed-95337412022-10-13 Digitization of imaging plates from Guinier powder X-ray diffraction cameras Nasir, Jamal Steinbrück, Nils Xu, Ke Engelen, Bernward Schmedt auf der Günne, Jörn J Appl Crystallogr Research Papers A Guinier camera equipped with an imaging plate is used to investigate and eliminate the sources of instrumental errors affecting the quality of the obtained scanned Guinier data. A program with a graphical user interface is presented which converts the data of the scanned images into different standard file formats for powder X-ray patterns containing intensities, their standard deviations and the diffraction angles. The program also allows for manual and automatic correction of the 2θ scale against a known reference material. It is shown using LaB(6) that the exported X-ray diffraction patterns provide a 2θ scale reproducible enough to allow for averaging diffractograms obtained from different exposures of the imaging plate for the same sample. As shown on a mixture of NaCl and sodalite, the quality of the produced data is sufficient for Rietveld refinement. The software including source code is made available under a free software license. International Union of Crystallography 2022-08-24 /pmc/articles/PMC9533741/ /pubmed/36249503 http://dx.doi.org/10.1107/S160057672200677X Text en © Jamal Nasir 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 Research Papers
Nasir, Jamal
Steinbrück, Nils
Xu, Ke
Engelen, Bernward
Schmedt auf der Günne, Jörn
Digitization of imaging plates from Guinier powder X-ray diffraction cameras
title Digitization of imaging plates from Guinier powder X-ray diffraction cameras
title_full Digitization of imaging plates from Guinier powder X-ray diffraction cameras
title_fullStr Digitization of imaging plates from Guinier powder X-ray diffraction cameras
title_full_unstemmed Digitization of imaging plates from Guinier powder X-ray diffraction cameras
title_short Digitization of imaging plates from Guinier powder X-ray diffraction cameras
title_sort digitization of imaging plates from guinier powder x-ray diffraction cameras
topic Research Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9533741/
https://www.ncbi.nlm.nih.gov/pubmed/36249503
http://dx.doi.org/10.1107/S160057672200677X
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