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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Veröffentlicht in:Journal of applied crystallography 2022-12, Vol.55 (6), p.1514-1527
Hauptverfasser: Savici, Andrei T., Gigg, Martyn A., Arnold, Owen, Tolchenov, Roman, Whitfield, Ross E., Hahn, Steven E., Zhou, Wenduo, Zaliznyak, Igor A.
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Sprache:eng
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Zusammenfassung: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. In neutron scattering experiments, data sets with different statistical significance are collected. A new method is presented to efficiently calculate the weights of single‐crystal time‐of‐flight measurements, and to add together the various contributions.
ISSN:1600-5767
0021-8898
1600-5767
DOI:10.1107/S1600576722009645