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Uniqueness of ab initio shape determination in small‐angle scattering
Author(s) -
Volkov Vladimir V.,
Svergun Dmitri I.
Publication year - 2003
Publication title -
journal of applied crystallography
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.429
H-Index - 162
ISSN - 1600-5767
DOI - 10.1107/s0021889803000268
Subject(s) - scattering , envelope (radar) , spheres , ab initio , stability (learning theory) , uniqueness , materials science , small angle scattering , physics , geometry , optics , mathematical analysis , computer science , mathematics , telecommunications , radar , quantum mechanics , astronomy , machine learning
Scattering patterns from geometrical bodies with different shapes and anisometry (solid and hollow spheres, cylinders, prisms) are computed and the shapes are reconstructed ab initio using envelope function and bead modelling methods. A procedure is described to analyze multiple solutions provided by bead modeling methods and to estimate stability and reliability of the shape reconstruction. It is demonstrated that flat shapes are more difficult to restore than elongated ones and types of shapes are indicated, which require additional information for reliable shape reconsrtuction from the scattering data.