Efficient data reduction for time-of-flight neutron scattering experiments on single crystals.

J Appl Crystallogr

Condensed Matter Physics and Materials Science Division, Brookhaven National Laboratory, Upton, NY, 11973, USA.

Published: December 2022

AI Article Synopsis

  • Event-mode data collection enhances time-of-flight neutron scattering, allowing for detailed studies of collective excitations and short-range structures.
  • The method relies on surveying large reciprocal space volumes with varying wavelengths and counting times, necessitating careful data integration.
  • This paper introduces a statistically sound approach for combining and histogramming single-crystal neutron scattering data, while emphasizing improved calculation efficiency for wider community use.

Article Abstract

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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Source
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC9721335PMC
http://dx.doi.org/10.1107/S1600576722009645DOI Listing

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