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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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Detalles Bibliográficos
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
Descripción
Sumario: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.