forthcoming articles

The first experimental observation of grazing-incidence X-ray back-diffraction validates both the dynamical description and a simple geometrical interpretation of its exceptionally large angular dispersion.

SAS_MoCa is an open-source Python package for quantitative analysis of small-angle scattering (SAS) data from large unilamellar vesicles, combining a compositional scattering density profile model of lipid bilayers with a separated form factor description of vesicle size and polydispersity in a Bayesian framework. It yields full posterior parameter distributions, uncertainties and correlations from single SAS curves, enabling reproducible and extensible high-throughput membrane structural characterization.

MNeuXtalViz is a Python-based visualization and analysis platform that integrates Mantid, PyVista, Matplotlib and Qt to support key single-crystal neutron diffraction workflows. By embedding interactive three-dimensional tools directly into the experimental workflow, the software improves the planning, execution and analysis of single-crystal neutron diffraction experiments while providing a flexible framework for future instrument and user-driven development.

Dynamical diffraction effects in electron diffraction can now be modelled directly within Olex2–AutoChem using data processed with CrysAlisPro, enabled by a new N-Beam refinement method based on the Bloch-wave formalism. This workflow allows dynamical refinement of integrated rotation electron diffraction intensities, improving structural models and enabling determination of absolute structure in a streamlined, accessible environment.

Under grazing incidence, form and structure factors must be evaluated for complex scattering vectors, which can be done by analytic continuation.

Replacing conventional position-sensitive photomultiplier tube detector systems with a square array of four flat-panel-type photomultiplier tube detectors enables simultaneous very small angle and small-angle neutron scattering measurements, while improving the effective neutron detection area, spatial resolution, sensitivity and signal-to-background ratio.

CView is an open-source, Linux-native crystal structure visualization and analysis program written in Rust with GTK4 and Cairo. It integrates ball-and-stick and coordination-polyhedron rendering, bond-valence-sum analysis against the IUCr bvparm2020 parameter set, powder X-ray diffraction simulation, space-group detection, automatic Bravais classification with Setyawan–Curtarolo high-symmetry k-paths, Voronoi construction of the first Brillouin zone, Miller-index slab generation, CHGCAR charge-density visualization and probe-based void analysis in a single desktop application aimed at the pre- and post-processing of plane-wave density-functional-theory calculations.

A unified multi-scale framework is proposed for the consistent analysis of small-angle X-ray scattering (SAXS) and X-ray diffraction (XRD) in disordered clay minerals, combining morphology, stacking and turbostratic contributions within a single formalism. The approach resolves long-standing inconsistencies in the SAXS–XRD junction and provides a physically interpretable method for extracting structural parameters across multiple length scales.

Incorporating molecular intensity gradients into an iterative projection algorithm enables model-free electron-density reconstruction even for low-solvent macromolecular crystals.