Analytical or semi-analytical expressions are provided for the small-angle scattering of colloidal objects that can be described as curved plates. These models could help to characterize a variety of inorganic or biological systems.

This study shows that forward scattering at the origin of reciprocal space contributes to the scattering intensity profiles of ultra-small-angle scattering. The forward scattering corresponds to a Fourier transform of the X-ray coherent volume on a sample. This contribution is usually ignored in the study of small-angle scattering, while it is fully...

Invariom partitioning and notation are used to estimate anisotropic hydrogen displacements for incorporation in crystallographic refinement models. Optimized structures of the generalized invariom database and their frequency computations provide the information required: frequencies are converted to internal atomic displacements and combined with the...

Pink beams are now widely used for small-angle X-ray scattering (SAXS) data collection owing to their high intensity. However, the wavelength spread of a pink beam is a factor of 100 higher than that of a monochromatic beam, thus causing the experimental data to be smeared. To reveal the influence of polychromaticity on shape reconstruction, four geometric...

A new probabilistic formula estimating triplet invariants and capable of exploiting a model electron-density map gradually created during the ab initio phasing process has been tested on a set of protein structures with data at non-atomic resolution. All the structures contain heavy atoms larger than Ca, and show a structural complexity which may attain...

A novel computational method based on atomic form factors and the fast Fourier transform (FFT) is developed to compute small- and near-wide-angle X-ray scattering profiles of biomacromolecules from explicit solvent modeling. The method is validated by comparing the results with those from non-FFT approaches and experiments, and good agreement with experimental...