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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...
Autores principales: | , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2022
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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. |
format | Online Article Text |
id | pubmed-9533741 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2022 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
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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