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Durant JH, Wilkins L, Butler K, et al. Determining the maximum information gain and optimizing experimental design in neutron reflectometry using the Fisher information. J Appl Crystallogr. 2021;54:1100-1110doi: 10.1107/S160057672100563X.
Durant, J. H., Wilkins, L., Butler, K., & Cooper, J. F. K. (2021). Determining the maximum information gain and optimizing experimental design in neutron reflectometry using the Fisher information. Journal of applied crystallography, 541100-1110. https://doi.org/10.1107/S160057672100563X
Durant, James H, et al. "Determining the maximum information gain and optimizing experimental design in neutron reflectometry using the Fisher information." Journal of applied crystallography vol. 54 (2021): 1100-1110. doi: https://doi.org/10.1107/S160057672100563X
Durant JH, Wilkins L, Butler K, Cooper JFK. Determining the maximum information gain and optimizing experimental design in neutron reflectometry using the Fisher information. J Appl Crystallogr. 2021 Jul 07;54:1100-1110. doi: 10.1107/S160057672100563X. eCollection 2021 Aug 01. PMID: 34429721; PMCID: PMC8366423.
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J Appl Crystallogr. 2021 Jul 07;54:1100-1110. doi: 10.1107/S160057672100563X. eCollection 2021 Aug 01.

Determining the maximum information gain and optimizing experimental design in neutron reflectometry using the Fisher information.

Journal of applied crystallography

James H Durant, Lucas Wilkins, Keith Butler, Joshaniel F K Cooper

Affiliations

  1. ISIS Neutron and Muon Source, Rutherford Appleton Laboratory, Harwell, Didcot, Oxfordshire OX11 0QX, United Kingdom.
  2. Department of Zoology, University of Oxford, Mansfield Road, Oxford OX1 3SZ, United Kingdom.
  3. SciML, Scientific Computing Division, Rutherford Appleton Laboratory, Harwell Campus, Didcot, Oxfordshire OX11 0QX, United Kingdom.

PMID: 34429721 PMCID: PMC8366423 DOI: 10.1107/S160057672100563X

Abstract

An approach based on the Fisher information (FI) is developed to quantify the maximum information gain and optimal experimental design in neutron reflectometry experiments. In these experiments, the FI can be calculated analytically and used to provide sub-second predictions of parameter uncertainties. This approach can be used to influence real-time decisions about measurement angle, measurement time, contrast choice and other experimental conditions based on parameters of interest. The FI provides a lower bound on parameter estimation uncertainties, and these are shown to decrease with the square root of the measurement time, providing useful information for the planning and scheduling of experimental work. As the FI is computationally inexpensive to calculate, it can be computed repeatedly during the course of an experiment, saving costly beam time by signalling that sufficient data have been obtained or saving experimental data sets by signalling that an experiment needs to continue. The approach's predictions are validated through the introduction of an experiment simulation framework that incorporates instrument-specific incident flux profiles, and through the investigation of measuring the structural properties of a phospholipid bilayer.

© James H. Durant et al. 2021.

Keywords: Fisher information; analysis; experimental design; information theory; neutron reflectivity; neutron reflectometry

References

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