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Update for BayesApp: a web site for analysis of small-angle scattering data

JOURNAL OF APPLIED CRYSTALLOGRAPHY (2014)

期刊

JOURNAL OF APPLIED CRYSTALLOGRAPHY

卷 47, 期 -, 页码 1469-1471

出版社

INT UNION CRYSTALLOGRAPHY

DOI: 10.1107/S1600576714013156

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Chemistry, Multidisciplinary Crystallography

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An update for BayesApp, a web site for analysis of small-angle scattering data, is presented. The indirect transformation of the scattering data now includes an option for a maximum-entropy constraint in addition to the conventional smoothness constraint. The maximum-entropy constraint uses an ellipsoid of revolution as a prior, and the dimensions of the ellipsoid as well as the overall noise level of the experimental data are estimated using Bayesian methods. Furthermore, a correction for slit smearing has been added. The web site also includes options for calculation of the scattering intensity from simple models as well as the estimation of structure factors for polydisperse spheres and nonspherical objects of axial ratios between 0.4 and 2.5. (C) 2014 International Union of Crystallography

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