A computational method is developed for the explicit reconstruction of the full deformation gradient tensor from the measurement of three symmetry-equivalent reflections in dark-field X-ray microscopy. The computations are extended to develop the sensitivity and uncertainty analysis methodologies to give a quantitative understanding of the reconstruction.

The current ordering of space groups in Vol. A of International Tables for Crystallography is so full of inconsistencies that its basic patterns are obscured. A revised order based on a small number of principles has been developed. It should be especially useful for teaching.

An analytical convoluted gap function is presented for fitting either a linear or a quadratic dispersion gap in a constant-Q cut measured with a focused triple-axis spectrometer. It outperforms previous methods of fitting a gap, without requiring a full resolution convolution.

We introduce a Python package with parallel computing capabilities designed for the refinement of convergent-beam electron diffraction (CBED) or large-angle CBED patterns.

A new wide-aperture multi-element scintillation detector was commissioned at the high-resolution neutron Fourier diffractometer operating at the IBR-2 pulsed reactor. The performance of the diffractometer has improved significantly, and new experimental opportunities have emerged.

Additive manufacturing represents a highly promising technique across various research and development sectors. In this work, Bragg edge neutron imaging is employed to characterize the crystallographic structure of additively manufactured metal samples, aiming to validate and optimize the production process.

ARGITU is a proposal for a local neutron source aiming to serve the European and Spanish community. A neutron instrument suite formed by five scientific instruments is hereby proposed to develop its science program: a thermal powder diffractometer, a horizontal reflectometer, a small-angle scattering instrument, an imaging instrument and a backscattering spectrometer.

The resistive switching characteristics of NiO-based RRAM capacitors were enhanced by introducing oxygen-deficient NiO0.95 layers at both electrode interfaces. Increasing the thickness of the NiO0.95 layer effectively reduced the Schottky barrier height, thereby lowering the forming, SET and RESET voltages and improving overall device performance.

A transmission electron microscopy study of cryogenic calcite samples reveals the homo-epitaxial intergrowths of {1120}//{1120}rotated, {0001}//{1100} and {1102}//{1108} interfaces, all being energetically favorable, along with their cooperation with {1014} twinning.

This paper explores the options for upgrading the cold neutron source at the Budapest Research Reactor.

The first one-dimensional implementation of the Trench-MWPC technology has been carried out in a large (1.5 m radius and 160° angular coverage) curved 3He-based detector for the D20 high-resolution high-intensity neutron diffractometer at the Institut Laue–Langevin.

A computational method for refinement of multi-panel detector geometry has been adapted from high-energy physics to serial crystallography. The method is many times faster and much more accurate than previous approaches.

This paper reports the structure of the ultrawide-bandgap semiconductor β-Ga2O3:Fe subjected to B+ implantation. Advanced methodological issues in the use of complementary high-resolution X-ray diffraction, X-ray reflectometry and high-resolution transmission electron microscopy in the analysis of the β→γ phase transformation in an irradiated monocrystal of β-Ga2O3 are considered.

A versatile sample environment enabling operando studies of solid-state batteries with temperature control and pressure monitoring is described.

pyDiSCaMB provides an interface between cctbx and DiSCaMB. The former drives Phenix and the latter provides multipolar parameterization of scattering, thus enabling multipolar modelling in Phenix.

We have elucidated the polymer adsorption layer structure in filler–rubber systems by conducting spin-contrast-variation small-angle neutron scattering on partially and fully swollen filler–rubber samples with and without a silane coupling agent.

Computation software for plesiotwinning analysis is presented, implementing the algorithm introduced in the companion article [Nespolo (2026). J. Appl. Cryst. 59, https://doi.org/10.1107/S1600576726001135].

We introduce a twin-compartment solid–liquid cell for neutron reflectometry that divides a single substrate into two independent measurement areas, doubling sample capacity and enabling direct side-by-side comparisons. This sample environment also reduces alignment and sample preparation time and has been successfully tested on both vertical and horizontal reflectometers at ISIS and Institut Laue–Langevin.

STENSOR automatically computes symmetry-adapted tensors under spin and magnetic point groups. It generates tensors for both spin and magnetic point groups from structural data files or spin-group generators. The comparison permits separation of the effects due to spin–orbit coupling from non-relativistic contributions, as illustrated by examples.

We describe an optimized gas-delivery stick for use with top-loading cryostats for neutron scattering measurements.

Inelastic neutron scattering shows that the non-reciprocal nature of the magnons in the skyrmion phase of MnSi is maintained for high temperatures well beyond the skyrmion–paramagnetic phase transition.

A tape-driven liquid sample droplet delivery system for serial femtosecond crystallography is described.

The development of a new contrast software suite for small-angle neutron scattering (SANS) contrast variation (CV) experiments is reported. This new platform, integrated into the SASSIE-web framework, streamlines experiment planning, simulation and data analysis to improve the accessibility and efficiency of SANS CV studies for multi-component biological complexes.

For the first time quantum refinement has been performed with X-ray free-electron laser and microcrystal electron diffraction data for the dinuclear iron site in the R2a protein of ribonucleotide reductase. The method is shown to work well and can be used to determine the protonation state of the bridging solvent molecule and deduce photoreduction in two of the structures.

First-principles calculations on SiO2 and AlPO4 show that phase transitions reversing space-group chirality do not change the sign of optical rotation, clarifying the microscopic origin of this phenomenon.

This study introduces the novel Auto Diffraction Pipeline to generate large-scale synthetic 2D X-ray diffraction datasets from crystallographic information files. By training convolutional neural networks on these diverse datasets, the authors achieve rapid and automated classification across all seven crystal systems and 230 space groups.

The funding information for the article by Arakawa et al. [J. Appl. Cryst. (2025), 58, 886–896] is corrected.

We present results and practical considerations for the analysis of neutron spin echo data from vesicles with undulating membranes using a framework that was recently published [Granek et al. (2024). Eur. Phys. J. E 47, 12]. We show the importance of vesicle diffusion, size, lamellarity and osmotic pressure as well as the effects of membrane viscosity on the quantitative value for the bending rigidity.

The present study investigates the deformation behavior of high-strength steels and the associated evolution of material anisotropy. Particular focus is placed on the impact of crystallographic texture and intergranular strains on how residual stresses can be evaluated using X-ray diffraction and the associated assessment of weld seams in the automotive industry.

A reverse Monte Carlo/pair distribution function method was used to reconstruct the disordered 3D atomic structure of simulated AuPd nanoparticles at various stages of diffusional mixing.

A new carrier matrix for the high-viscosity injection of protein microcrystals during serial crystallography experiments is presented and characterized. Its suitability is validated by crystallographic data collection at the SACLA XFEL and further characterization at the ESRF synchrotron.

The effect of chromatic dispersion due to the difference between Si(111) double-crystal monochromator and sample Bragg angles in rocking curve imaging at a synchrotron has been evaluated. This previously unaccounted for mismatch leads to a change in the image size parallel to the scattering plane which must be considered for accurate determination of diffraction profiles, image resolution and lattice plane curvatures.

A new Python package, pygid, enables fast batch processing of X-ray scattering data, with a particular focus on grazing-incidence geometries.

A rapid scanning X-ray nanodiffraction method is demonstrated to efficiently assess local microstructural changes in polycrystalline micropillars during deformation, enabling real-time insights.

Six recurrent misconceptions in crystallography, some involving mineral and crystal optics, are analyzed and discussed. The explanation of these and similar misconceptions could serve as educational resources for teachers.

This study establishes a mathematical framework connecting symmetry operations with metrical restrictions through systematic analysis of symmetry operation representation matrices.

Anomalous diffraction analysis of hybrid perovskite thin films enables quantification of components in mixed compositions, as well as prospective investigation of superlattice ordering and spatial component distribution.

A simple modification to the bond valence site energy method is proposed to account for the asymmetrical coordination around post-transition metal cations in fluoride conductors due to the presence of electron lone pairs. A total of 136 structures from the Inorganic Crystal Structure Database are screened and several potential new conductors are suggested.

A full symmetry-mode decomposition analysis of PrNiO3 across its temperature-induced structural phase transitions allows identification of oxygen stretching and Jahn–Teller-like modes as the primary drivers of charge disproportionation at ∼130 K, concomitant with the metal–insulator transition. These distortions persist and evolve through the high-temperature orthorhombic to rhombohedral transition.

This article reports sub-Å structure determination of vacuum-sensitive organic samples in the solid state at room temperature by serial electron diffraction using formvar encapsulation for sample preservation.

A reconstruction procedure for patterns with incomplete information is reported. It is based on a modified Papoulis–Gerchberg algorithm. The modifications were introduced to guide the reconstruction procedure. The reconstruction algorithm could prove useful in specific experimental geometry setups.

We present a methodology based on wide-angle X-ray scattering for the quantitative assessment of interflake ordering in graphene oxide films, providing a structural parameter to characterize anisotropy in disordered 2D materials.

TransMagNet is a branch network model that predicts crystal systems and space groups directly from chemical compositions with high accuracy, providing a novel approach for materials design and discovery without relying on structural data.

This study shows that surface mechanical attrition treatment (SMAT) induces beneficial compressive residual stresses and subgrain refinement in atomic diffusion additive manufacturing (ADAM)-produced 17–4 PH stainless steel. Accurate residual stress evaluation critically depends on the appropriate selection of grain-interaction models, without which the performance predictions for additively manufactured components under high loading conditions may be compromised.

A split-crystal neutron interferometer allows longer arm separation and length. However, since the visibility of the interference is sensitive to seismic and acoustic noise, it is crucial to design and operate the interferometer acknowledging this problem. To aid in this process, we present a mathematical model that quantifies how time-dependent accelerations affect the phase and visibility of the interference fringes.

This study introduces Restrfcn, a transformer-based deep learning framework to accurately extract 3D nanofiber orientation parameters from complex wide-angle X-ray diffraction patterns, even with variable fiber sets. By optimizing the model via statistical hypothesis testing, the approach enables real-time analysis for high-throughput synchrotron experiments, advancing nanofiber composite characterization.

A novel small-angle X-ray scattering modelling approach is introduced for the analysis of precipitation behaviour in metallic systems exhibiting scattering signals with streaks originating from the embedding matrix. This approach enables in situ tracking of the microstructural evolution, such as the volume fraction and size of second phases, during continuous heating, and it is showcased for a near-α Ti alloy.

Information concerning sample preparation in the article by Ghosh et al. [J. Appl. Cryst. (2023), 56, 449–460] is clarified.

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.