Uniqueness of ab initio shape determination in small-angle scattering
Journal of Applied Crystallography
Volume 36, Issue 3-1, pages 860–864, June 2003
How to Cite
Volkov, V. V. and Svergun, D. I. (2003), Uniqueness of ab initio shape determination in small-angle scattering. Jnl Applied Crystallography, 36: 860–864. doi: 10.1107/S0021889803000268
- small-angle scattering;
- shape determination;
- structure modeling.
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.