EQSANS-CLI: a natural-language agent-ready command-line tool for small-angle neutron scattering data reduction at EQ-SANS

EQSANS-CLI is a command-line tool for small-angle neutron scattering data reduction. It exposes the full reduction pipeline through two input surfaces, an interactive terminal that accepts both slash commands and natural language, and a headless JSON mode designed for external AI agents, both built on a shared command-handler layer.

Angle-dependent X-ray absorption correction in small- and wide-angle X-ray scattering: accounting for constrained scattering volume, beam profiles and capillary wall attenuation

We present an improved numerical angle-dependent absorption correction procedure for line-collimated small- and wide-angle X-ray scattering measurements in thin-walled quartz capillaries. The procedure accounts for the constrained illuminated volume, measured primary beam profiles and capillary-wall absorption, enabling physically consistent data reduction and reliable absolute scaling when conventional experimental scalar transmission corrections become unreliable.

Influence of solidification history and particle size on defect evolution in Al2024 alloy additive manufacturing powder

Findings are presented on the impact of particle size and solidification history on defect formation in Al2024 alloy additive manufacturing powder. The results of this investigation suggest a trend of decreasing dislocation density in as-atomized samples as the particle size increases, with larger particles cooling more slowly.

Anisotropic extension of the Parratt formalism

We derive a generalized Parratt method applicable to anisotropic systems, which is devoid of the numerical instabilities arising in the method of characteristic matrices. We derive formulae for both reflectivity and transmissivity.

Depth-resolved X-ray residual stress analysis on samples with cylindrically shaped surface topography

Modifications of the fundamental equation of X-ray stress analysis are proposed that allow correction of the hoop and longitudinal stresses obtained from sin²ψ measurements on samples featuring an inhomogeneous surface topography. The formalism is verified by angle- and energy-dispersive measurements performed on a ferritic steel sample with cylindrically shaped regions with different central angles.

Probing local atomic structure in thin films by grazing-incidence total X-ray scattering with a convergent X-ray beam

We performed grazing-incidence total X-ray scattering on an indium tin oxide thin film using a convergent incident beam. This approach enables the acquisition of total scattering profiles up to Q = 21 Å⁻¹, demonstrating the feasibility of laboratory instruments for thin film pair distribution function analysis.

Absorption correction for plate samples in transmission X-ray powder diffraction: improved reliability of atomic displacement parameters

An analytical absorption correction for powder X-ray diffraction of flat plate samples in transmission geometry is presented. Independent determination of the optical thickness enables reliable refinement of atomic displacement parameters.

Isopoints in small-angle scattering. I. Form factors of inhomogeneous quasi-spherical particles under contrast variation

A general solution of the problem of observing isoscattering points in the form factors of quasi-spherical particles under contrast variation in a small-angle scattering experiment is presented. It uses the approach of basic functions extended to the practical area by considering experimental isopoints as caustic-type nodes.

A unified resolution and multiple-scattering correction framework for Spallation Neutron Source ultra-small-angle neutron scattering and complementary small-angle neutron scattering

A practical and resolution-consistent data-reduction framework is established for ultra-small-angle neutron scattering, guiding users in correcting slit-geometry smearing and multiple scattering to obtain reliable intrinsic scattering profiles across combined ultra-small-angle and small-angle neutron scattering measurements.

Application of electrostatic and multi-layer embedding in Hirshfeld atom refinements: a cost-effective approach for approximating bulk effects in crystalline environments

A new efficient embedding mechanism for molecule-in-a-crystal electron-density calculations during Hirshfeld atom refinement is made available in NoSpherA2 and benchmarked.

AES-Debye: an accurate, efficient and scalable engine for Debye scattering calculations

AES-Debye is an accurate, efficient and scalable engine for evaluating the Debye scattering equation that enables total scattering calculations for large atomistic models. Corrected pair-distance binning and numerically robust accumulation suppress discretization artifacts, while parallel CPU/GPU execution enables efficient computation of scattering intensities and pair distribution functions for structural analysis.

How a high rotational barrier enables packing-controlled stabilization of a conformational quasi-enantiomer

Variable-temperature NMR reveals a surprisingly high rotational barrier of ∼20 kcal mol⁻¹ (∼83.7 kJ mol⁻¹) for (1,4-di­acet­oxy-3-methyl­naphth-2-yl)di­phenyl­phosphine oxide, stabilizing distinct conformers. This fourfold increase over theoretical predictions highlights the critical role of solvent-induced stabilization in maintaining conformational integrity in sterically congested systems.

Initial characterization of a prototype target–moderator–reflector assembly for an electron-driven compact accelerator-driven neutron source at CERN's CLEAR facility

This article presents the design, installation and first experimental testing of a novel prototype target–moderator–reflector assembly for a compact accelerator-driven neutron source driven by a 35 MeV electron beam.

Elliptical neutron-focusing supermirrors with Ni–P-plated Al–Si alloy substrates for multi-incident-angle neutron reflectometry

Multi-incident-angle neutron reflectometry is realized using elliptical metallic supermirrors for dual-beam focusing. This approach presents new opportunities for efficient interface analysis.

Commissioning of a versatile grazing-incidence platform at a very small angle neutron scattering instrument for investigating nano-to-microscopic colloidal assembly

A grazing-incidence platform has been commissioned at the very small angle neutron scattering instrument of the China Spallation Neutron Source, with accessible length scales covering three orders of magnitude. The functions of this platform are validated by its ability to distinguish the in-plane assembly patterns of colloidal thin films fabricated by different coating techniques and composed of structures with sizes ranging from 100 nm to several micrometres.

Enhancing microstructural fidelity in near-field high-energy diffraction microscopy reconstruction with Noise2Void denoising

A self-supervised deep learning model, Noise2Void (N2V), denoises near-field high-energy diffraction microscopy diffraction images without requiring unobtainable clean data. These images allow for lower segmentation thresholds and detection of smaller and weaker diffraction peaks, which are often discarded or overlooked with conventional image processing methods. The result is a ∼9% increase in reconstruction confidence and a more accurate representation of fine microstructural features.

Faster and targeted raster imaging through non-rectangular scanning

A highly efficient algorithm for raster scanning an area of non-rectangular shapes is presented. This method can significantly reduce the required scanning time for e.g. microbeam X-ray diffraction and X-ray fluorescence scanning microscopy.

Determination of water permeability in stress-free lipid membranes through time-resolved small-angle neutron scattering

Time-resolved small-angle neutron scattering with rapid contrast variation enables direct non-invasive measurement of water permeation kinetics and membrane structure under iso-osmotic conditions for lipid membranes.

PolarEyes with enhanced digital imaging, a high-throughput solution for locating and grading crystals

An open-source program for the calculation and visualization of polarization-derived properties of crystalline material is described, alongside the integration of a polarizing image sensor into a home-built high-throughput imaging setup.

The effect of Nb and O on the martensitic transformation in Ti–Nb–O alloys

Using a newly developed 2D X-ray diffraction orientation simulation approach to isolate overlapping martensitic reflections, this study demonstrates that niobium controls continuous lattice symmetry evolution, whereas interstitial oxygen induces localized strain fields that nonlinearly govern the structural competition between α″-martensite and the athermal ω phase.

Deterministic segmentation of grains in dense Laue microdiffraction datasets

This work introduces a deterministic methodology for segmenting individual grain contributions from complex high-density Laue microdiffraction datasets by leveraging spatial correlations and clustering of peak appearance maps.

Development of a neutron texture analysis reduction pipeline in Mantid

An experimental planning and data processing pipeline for spatially resolved neutron texture analysis has been implemented within the Mantid framework. The workflow processes time-of-flight neutron diffraction data to generate experimental pole figures, enabling non-destructive quantitative texture analysis of materials and components with complex texture distributions.

Determination of partial atomic charges from single-crystal X-ray diffraction by refinement of occupancy of spherical atoms

Experimental measurement of partial atomic charge using standard crystallographic data is accessible to a wide range of experimental practitioners of single-crystal X-ray diffraction without the need for high-angle data or specialized software.

PolymCrystRefine: a workflow for diffraction analysis of polymer crystals

An automated workflow, PolymCrystRefine, has been developed for polymer crystal structure refinement from fiber diffraction data, combining joint force-field and intensity-gradient optimization, a region-of-interest-based data exploitation scheme, and a genetic algorithm guided by fiber-specific constraints.

Stroboscopic neutron scattering measurements using Raspberry Pi-based sample environment event mode

An inexpensive device based on a Raspberry Pi can give neutron scattering instruments the ability to carry out stroboscopic measurements in a relatively simple and flexible fashion. Stroboscopic measurements can be used to study fast kinetic processes in condensed matter systems.

Magnetic small-angle neutron scattering by a nanocrystalline ferromagnet with an anisotropic exchange interaction

A micromagnetic framework of magnetic small-angle neutron scattering (SANS) is developed, which incorporates weak symmetric anisotropic exchange and predicts new angular harmonics in magnetic SANS cross sections of polycrystalline ferromagnets.

Jungfraujoch: 38 GB s⁻¹ real-time serial crystallography – data acquisition and live indexing feedback

Jungfraujoch is a single-node FPGA–GPU server that enables 38 GB s⁻¹ real-time crystallographic data acquisition using the PSI JUNGFRAU 9M detector at 2 kHz, with simultaneous on-the-fly processing, spot finding and indexing, and optional adaptive data reduction during continuous data streaming.

Qu­antitative three-dimensional reconstruction of periodic hole patterns via grazing-incidence small-angle X-ray scattering

This work demonstrates that higher-order Bragg diffraction peaks in grazing-incidence small-angle X-ray scattering provide enhanced sensitivity to lateral structural parameters. Exploiting this information enables accurate three-dimensional reconstruction of hole patterns from limited-angle data, reducing acquisition time requirements for laboratory-scale X-ray metrology.

Site-specific dispersion factors in Fe₃O₄ determined through a Kramers–Kronig-constrained approach to Rietveld refinement

We describe a means to enable site-specific X-ray absorption spectra from Rietveld refinement of powder diffraction across an absorption edge using a variational approach to ensure Kramers–Kronig consistency.

A low-cost, portable polarizing digital light microscope for monitoring crystal growth and for crystal harvesting

A low-cost, portable, medium-resolution polarizing digital light microscope device for monitoring crystal growth and for crystal harvesting is described. The device can be used with a cell phone or a personal computer for real-time imaging by professional and amateur scientists alike.

Shot-noise-limited X-ray powder diffraction from organic crystals with laser-driven femtosecond X-ray source

This communication highlights the feasibility of recording shot-noise-limited X-ray powder diffraction from organic crystals using a laser-driven X-ray source.

Development of advanced borosilicate glass coating for surface modification of neutron experimental tools

Sodium-free borosilicate glass thin films synthesized from di­phenyl­borosiloxane exhibit enhanced hydro­phobicity, offering a promising solution for durable surface modification of neutron experimental tools.

DISCO: a general software tool for dislocation contrast factor calculations in diffraction analysis

DISCO is a program capable of calculating the X-ray contrast factor for single- and polycrystalline materials in real time.

pyRS 2.0: software for the calibration, reduction and analysis of neutron engineering diffraction data

The Python residual stress (pyRS) software package has received substantial upgrades, including a backend reduction workflow and frontend graphical interface that enables the reduction and analysis of diffraction data for texture analysis, a new graphical interface for detector calibration, and a refined user interface allowing the exclusion of points from the residual stress analysis.

pyCXIM: Python scripts for coherent X-ray imaging methods

pyCXIM is a unified open-source software platform that integrates the complete Bragg coherent diffraction imaging workflow – from beamline alignment and real-time data assessment to GPU-accelerated phase retrieval and automated post-processing – within a single easy-to-install package, enhancing reproducibility and efficiency for synchrotron users.

QuickProcess2: an integrated package for crystallography data visualization, processing and management at the GM/CA Structural Biology Facility

QuickProcess2 (QP2) unifies real-time image visualization, automated multi-pipeline data processing and experiment management into a single open-source platform for synchrotron macromolecular crystallography beamlines, enabling live quality assessment and concurrent data reduction for both standard rotation and serial crystallography experiments.

The BioSAXS laboratory of the ITACA.SB Research Infrastructure

We present a versatile state-of-the-art X-ray scattering laboratory within the ITACA.SB Research Infrastructure, enabling multi-scale structural characterization of complex biological specimens and advanced materials through integrated small- and wide-angle X-ray scattering (SAXS/WAXS) techniques. The platform supports simultaneous SAXS/WAXS acquisition, scanning microscopy, ultra-SAXS and size-exclusion chromatography SAXS measurements.

Online_DPI: a web server to calculate the diffraction precision index for a protein structure. Addendum

From August 2026, the online computing server Online_DPI [Kumar et al. (2015). J. Appl. Cryst. 48, 939–942] will be hosted by the International Union of Crystallography at https://dpi.iucr.org/.

Small-angle polarized neutron scattering study of strontium hexaferrite nanoplatelet ferrofluid. Corrigendum

The name of one of the authors of the article by Grigoryeva et al. [J. Appl. Cryst. (2026), 59, 1129–1138] is corrected.