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Efficient data reduction for time-of-flight neutron scattering experiments on single crystals
Event-mode data collection presents remarkable new opportunities for time-of-flight neutron scattering studies of collective excitations, diffuse scattering from short-range atomic and magnetic structures, and neutron crystallography. In these experiments, large volumes of the reciprocal space are s...
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/PMC9721335/ https://www.ncbi.nlm.nih.gov/pubmed/36570664 http://dx.doi.org/10.1107/S1600576722009645 |
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author | Savici, Andrei T. Gigg, Martyn A. Arnold, Owen Tolchenov, Roman Whitfield, Ross E. Hahn, Steven E. Zhou, Wenduo Zaliznyak, Igor A. |
author_facet | Savici, Andrei T. Gigg, Martyn A. Arnold, Owen Tolchenov, Roman Whitfield, Ross E. Hahn, Steven E. Zhou, Wenduo Zaliznyak, Igor A. |
author_sort | Savici, Andrei T. |
collection | PubMed |
description | Event-mode data collection presents remarkable new opportunities for time-of-flight neutron scattering studies of collective excitations, diffuse scattering from short-range atomic and magnetic structures, and neutron crystallography. In these experiments, large volumes of the reciprocal space are surveyed, often using different wavelengths and counting times. These data then have to be added together, with accurate propagation of the counting errors. This paper presents a statistically correct way of adding and histogramming the data for single-crystal time-of-flight neutron scattering measurements. In order to gain a broader community acceptance, particular attention is given to improving the efficiency of calculations. |
format | Online Article Text |
id | pubmed-9721335 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2022 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-97213352022-12-22 Efficient data reduction for time-of-flight neutron scattering experiments on single crystals Savici, Andrei T. Gigg, Martyn A. Arnold, Owen Tolchenov, Roman Whitfield, Ross E. Hahn, Steven E. Zhou, Wenduo Zaliznyak, Igor A. J Appl Crystallogr Research Papers Event-mode data collection presents remarkable new opportunities for time-of-flight neutron scattering studies of collective excitations, diffuse scattering from short-range atomic and magnetic structures, and neutron crystallography. In these experiments, large volumes of the reciprocal space are surveyed, often using different wavelengths and counting times. These data then have to be added together, with accurate propagation of the counting errors. This paper presents a statistically correct way of adding and histogramming the data for single-crystal time-of-flight neutron scattering measurements. In order to gain a broader community acceptance, particular attention is given to improving the efficiency of calculations. International Union of Crystallography 2022-11-04 /pmc/articles/PMC9721335/ /pubmed/36570664 http://dx.doi.org/10.1107/S1600576722009645 Text en © Andrei T. Savici 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 Savici, Andrei T. Gigg, Martyn A. Arnold, Owen Tolchenov, Roman Whitfield, Ross E. Hahn, Steven E. Zhou, Wenduo Zaliznyak, Igor A. Efficient data reduction for time-of-flight neutron scattering experiments on single crystals |
title | Efficient data reduction for time-of-flight neutron scattering experiments on single crystals |
title_full | Efficient data reduction for time-of-flight neutron scattering experiments on single crystals |
title_fullStr | Efficient data reduction for time-of-flight neutron scattering experiments on single crystals |
title_full_unstemmed | Efficient data reduction for time-of-flight neutron scattering experiments on single crystals |
title_short | Efficient data reduction for time-of-flight neutron scattering experiments on single crystals |
title_sort | efficient data reduction for time-of-flight neutron scattering experiments on single crystals |
topic | Research Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9721335/ https://www.ncbi.nlm.nih.gov/pubmed/36570664 http://dx.doi.org/10.1107/S1600576722009645 |
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