Iterative phase retrieval in macromolecular crystal diffraction using the gradients of intensities

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

Simultaneous very small angle and small-angle neutron scattering measurements enabled by flat-panel-type photomultiplier detectors at SANS-J, JRR-3

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.

3D modeling of exsolution textures using MTEX–MATLAB

Three-dimensional modeling of exsolution textures using MATLAB and the MTEX toolbox is described, alongside a theoretical analysis of crystallographic orientation relationships.

Bridging the small-angle X-ray scattering–X-ray diffraction gap in disordered layered materials: the CLADIFFMOD unified framework

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.

Experimental observation of grazing-incidence X-ray back-diffraction with large angular dispersion

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.

TorchRef: an open-source PyTorch framework for crystallographic refinement

TorchRef is an open-source PyTorch-based crystallographic refinement framework that exposes all refinable parameters to automatic differentiation, accelerates structure factor evaluation by about two orders of magnitude on a GPU and enables novel workflows such as direct refinement against amplitude differences in time-resolved crystallography.

Measurement of light source size via the decoupling of angular divergence and beam cross section

This study introduces a physically deterministic method for the high-precision characterization of light source size via dynamical crystal diffraction, providing a robust tool for advancements in accelerator physics and metrology.

Dynamical refinement against 3D-ED data in Olex2–AutoChem using the N-Beam approach

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.

Form and structure factors with complex scattering vector

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

NeuXtalViz: interactive three-dimensional visualization and analysis for single-crystal neutron diffraction

NeuXtalViz 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.