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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...

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Autores principales: Savici, Andrei T., Gigg, Martyn A., Arnold, Owen, Tolchenov, Roman, Whitfield, Ross E., Hahn, Steven E., Zhou, Wenduo, Zaliznyak, Igor A.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2022
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.
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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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