The transition from the kinematical to the dynamical regime of X-ray diffraction in smectic liquid crystal multilayers is investigated. To this end, synchrotron X-ray reflectivity data obtained from a real liquid crystal were analysed. A quantitative criterion for this transition is derived.

This study explores the impact of controlled relative humidity variations on the stability and structural response of crystalline insulin complexes, combining in situ X-ray powder diffraction (XRPD) with single-crystal X-ray diffraction. The results reveal significant alterations in unit-cell parameters and differing stability among insulin complexes with m-cresol and m-nitro­phenol, highlighting in situ XRPD as a powerful tool for assessing the influence of environmental factors on the stability of pharmaceutical proteins.

Software optimized to fit ruby fluorescence spectra, automatically extract the peak positions and calculate the pressure according to the Ruby2020 gauge is presented.

It is demonstrated that, when a semiflexible polymer is under external forces, these forces and the bending modulus, along with conformation variables of the polymer, can be extracted from the scattering function using a machine learning inversion method.

The virtual special issue related to the 19th International Small Angle Scattering Conference (SAS2024, Taipei, Taiwan) is introduced. The articles included here were originally published in recent regular issues of Journal of Applied Crystallography and Journal of Synchrotron Radiation. The SAS2024 special issue is available at https://journals.iucr.org/special_issues/2025/sas2024/.

Implemented in many crystallography programs, the Patterson function can be challenging to explain to non-mathematically trained students. I provide a customizable animated PowerPoint slide deck to help students to intuitively grasp the concept of autocorrelation and its interpretation.

This paper introduces a novel desmearing methodology utilizing the central moment expansion technique to correct resolution smearing in two-dimensional small-angle neutron scattering (SANS) data, particularly for anisotropic patterns in rheological SANS experiments. This model-free approach accurately reconstructs true intensity distributions, effectively recovers structural features and quantifies experimental uncertainties, enhancing the quantitative analysis of SANS data for complex fluid systems.

This study uses computational models to compare the three-dimensional difference pair distribution function and atomic resolution holography for analyzing three-dimensional disorder, revealing their complementary strengths in quantitative pair correlation analysis versus chemical specificity and advocating for a combined approach to tackle complex materials.

This paper demonstrates the benefits and challenges of high-temperature single-crystal X-ray diffraction studies, which allow not only determination of the thermal behavior of a material but also direct evaluation of the crystal-chemical mechanism.

XRDlicious is an online tool for calculating powder X-ray and neutron diffraction patterns, as well as (partial) radial distribution functions, from crystal structures uploaded by users or retrieved from major structural databases. Its browser-based interface allows structure modification, data format conversion and simultaneous plotting for comparison, making it accessible for both research and educational purposes without the need for software installation.

The Hasse diagram of the 3D point-group classes is built with six motifs that have a well defined parity that determines their structure. Of the seven crystal systems, three are built with odd motifs, three are built with even motifs and the last one, the monoclinics, is `ambidextrous' as they are built with both.

A new 1–2 plane shear cell has been developed to observe structural changes and concentration fluctuations under flow fields depending on the velocity gradient, which cannot be measured by the Rheo-SANS small-angle neutron scattering technique.

We derive a closed analytical expression that allows determination of the strain and lattice rotation from the deviation of experimental observables (e.g. goniometer angles) from their nominal position for an unstrained lattice. We also propose an experimental geometry wherein such measurements can be carried out while keeping the illuminated sample volume constant, facilitating registration of data.

A combined modified Warren–Averbach and modified Williamson–Hall analysis of diffraction peaks obtained by energy scanning of Laue microdiffraction patterns is introduced. For the first time the method allows estimation of the adequacy of the chosen dislocation model. It was applied to characterize the dislocation structure at the micrometre scale in a laser-peened Ni polycrystal.

High-energy X-ray scattering in an ultra-small-angle grazing-incidence geometry is employed for local structure analysis of epitaxially grown single-crystalline thin films with atomic scale resolution. This novel approach allows for non-invasive, non-destructive and quantitative 3D analysis of local order in thin films, providing a valuable complement to traditional solid-state characterization techniques.

The use of electron beam precession in a (scanning) transmission electron microscope for serial crystallography experiments is thoroughly investigated, showing its potential for better crystal structure determination and refinement in the context of 3D electron diffraction.

This work proposes a deep neural network solution to address the inefficiency challenge of the correlation function analysis method in the interpretation of small-angle X-ray scattering data for phase-separated structures of polymers.

In this work we use the machine learning based CREASE method to identify the distributions in sizes (diameter, aspect ratio) and shapes (spheres to ellipsoids) of nanoparticles from their small-angle X-ray scattering data.

We present a MATLAB-based framework implementing golden-ratio shift orientation sampling for continuous precession rotation electron diffraction tomography, achieving convergence within 512 Bloch wave calculations per frame, which is a tenfold reduction compared with conventional protocols. We also describe numerical tests for dynamical intensities calculated using the Bloch wave method for different three-dimensional electron diffraction methods.

The X-ray restrained wavefunction (XRW) approach could be a useful tool to propose new exchange–correlation (xc) functionals for density functional theory. Here, orbital-averaged XRW perturbation potentials of atoms (neon, argon and krypton) and simple molecules (dilithium and urea) are extracted and visualized for the first time, and their possible use in the development of new xc functionals is discussed.

This study introduces a quantitative framework for evaluating magnetic reference layers (MRLs) in polarized neutron reflectometry and demonstrates that CoTi alloys outperform conventional Fe- and Ni-based MRLs. The tunability of CoTi's nuclear and magnetic scattering length densities enables superior sensitivity, making it a highly effective choice for enhancing contrast and resolving phase ambiguity in soft-matter and thin-film research.

Hermite functions are used to represent pair distribution functions from total scattering data in order to allow the effects of resolution to be taken into account.

This work introduces an algorithm to extract quantitative orientation and phase information of thin films using grazing-incidence X-ray diffraction. The approach is demonstrated using experimental data from three distinct systems, showcasing its broad applicability.

A perspective is given on the opportunities provided by near-surface small-angle neutron scattering for the characterization of nanoscale magnetic phenomena near surfaces and their extension into nano-confined volumes in the thin-film limit.

We share personal experience in the fields of materials science and high-pressure research, discussing which parameters are important to control and document in order to make deposited powder diffraction data reusable, reproducible and replicable.