forthcoming articles

Optimization of the SAFARI-1 neutron radiography replacement collimator is investigated using coupled Monte Carlo N-particle transport derived surface source terms with McStas beam optics. A 2 mm pinhole positioned upstream, combined with single-crystal Al₂O₃ and Bi as beam filters, achieves a 98.1% thermal neutron beam flux of 2.6 × 10⁷ n cm⁻² s⁻¹, strong gamma suppression and a flat 20 × 20 cm² field of view.

PrimeXP is a modern Python/OpenGL re-interpretation of George Sheldrick's classic model editing, analysis and publication-quality graphics preparation program XP.

Sample-sample two-dimensional correlation spectroscopy was used successfully to detect similarity or collinearity among a series of lanthanide complexes based on their single-crystal X-ray diffraction patterns.

Irena is a comprehensive small-angle scattering analysis suite that has served the small-angle scattering community for 25 years and has been cited more than 2000 times. Its Python companion pyIrena reimplements the most widely used Irena tools, removes the dependency on the commercial Igor Pro package, and exposes most analysis through four complementary methods: an interactive Qt graphical interface, a scriptable batch API for beamline pipelines, JSON replay, and a Model Context Protocol server that lets large-language-model agents read pyIrena data files and call its analysis tools directly.

Combined SAXS and SANS analysis reveals quantitative relationships between formulation and process parameters and the core–shell nanostructure of mRNA-loaded lipid–polymer hybrid nanoparticles. These findings provide a basis for rational design of stable mRNA delivery systems.

McSAS3 consists of a pair of tools: a command-line, Monte Carlo based fitting engine for headless, automated analysis of large quantities of a broad range of small-angle scattering data, and a graphical user interface to simplify configuration and batch fitting. It is the completely refactored successor to the McSAS software.

A complete workflow of data acquisition and processing for 3D electron crystallography with the JUNGFRAU 1M pixel detector is described. Typical crystallographic use cases engaging with multiple software applications are presented.

This study proposes a machine learning-based network for gap filling in small-angle scattering and wide-angle diffraction of X-ray patterns, which can reconstruct missing regions in two-dimensional patterns to recover a sample's true structural information.

We present NoMoRe, a normal mode refinement server: a web-based platform for refining lattice-dynamical models against single-crystal X-ray diffraction data.

Spatially resolved texture maps of Ti-6 Al-4 V obtained by texture tomography show strong agreement across independent scans and with electron backscatter diffraction characterization, validating the single-axis reconstruction procedure. The resulting 3D maps reveal sharply textured α-phase domains whose orientations and morphologies reflect the rolled microstructure.

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.

CView is an open-source, Linux-native crystal structure visualization and analysis program written in Rust with GTK4 and Cairo. It integrates a range of analyses into a single desktop application aimed at the pre- and post-processing of plane-wave density-functional-theory calculations.