Journal of Applied Crystallography

Volume 46, Part 2 (April 2013)

research papers

J. Appl. Cryst. (2013). 46, 365-371    [ doi:10.1107/S0021889813001295 ]

Improvements and considerations for size distribution retrieval from small-angle scattering data by Monte Carlo methods

B. R. Pauw, J. S. Pedersen, S. Tardif, M. Takata and B. B. Iversen

Abstract: Monte Carlo (MC) methods, based on random updates and the trial-and-error principle, are well suited to retrieve form-free particle size distributions from small-angle scattering patterns of non-interacting low-concentration scatterers such as particles in solution or precipitates in metals. Improvements are presented to existing MC methods, such as a non-ambiguous convergence criterion, nonlinear scaling of contributions to match their observability in a scattering measurement, and a method for estimating the minimum visibility threshold and uncertainties on the resulting size distributions.

Keywords: structure analysis; small-angle scattering; Monte Carlo methods; particle size distribution.

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[ doi:10.1107/S0021889813001295/ce5145sup1.pdf ]
A showcase of the Monte Carlo method


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