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

Ni, Busch and Zuo: PyExtal: a Python package for quantitative convergent-beam electron diffraction #ConvergentBeamElectronDiffraction #CBED #LACBED ... #IUCr https://journals.iucr.org/paper?S1600576726001469

High-resolution neutron Fourier diffractometer with wide-aperture detector 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.

Sergey V. Sumnikov et al.: High-resolution neutron Fourier diffractometer with wide-aperture detector #NeutronDiffraction #PulsedNeutronSources #Diffractometers ... #IUCr https://journals.iucr.org/paper?S1600576726001986

Characterization of laser powder bed fusion metal samples using Bragg edge neutron transmission analysis 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.

M​atilde Dematteis et al.: Characterization of laser powder bed fusion metal samples using Bragg edge neutron transmission analysis #NeutronBraggEdgeImaging #ResidualStrain #Texture @unito...#IUCr https://journals.iucr.org/paper?S1600576726001482

The instrument suite and science case for ARGITU, the Spanish high-current accelerator-driven neutron source 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.

Félix J. Villacorta et al.: The instrument suite and science case for ARGITU, the Spanish high-current accelerator-driven neutron source #NeutronFacility #HiCANS #NeutronInstrumentation @upvehu...#IUCr https://journals.iucr.org/paper?S1600576726001780

Effect of oxygen-deficient NiO1−δ layer thickness on the resistive random access memory characteristics of NiO thin films 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.

Lee and Son: Effect of oxygen-deficient NiO1−δ layer thickness on the resistive random access memory characteristics of NiO thin films #ThinFilms #OxygenDeficientLayers #RRAM @khuniv...#IUCr https://journals.iucr.org/paper?S1600576726001573

Homo-epitaxy and twinning produce complex nanostructures in cryogenic calcite 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.

Péter Németh et al.: Homo-epitaxy and twinning produce complex nanostructures in cryogenic calcite #HomoEpitaxy #Twinning #CryogenicCalcite @unito@unito@unito...#IUCr https://journals.iucr.org/paper?S1600576726001354

New para-hydrogen cold neutron source at the Budapest Research Reactor: Monte Carlo simulations This paper explores the options for upgrading the cold neutron source at the Budapest Research Reactor.

D​mitrii Shapiro et al.: New para-hydrogen cold neutron source at the Budapest Research Reactor: Monte Carlo simulations #ColdNeutronModerators #Neutronics #BudapestResearchReactor ... #IUCr https://journals.iucr.org/paper?S1600576726001263

One-dimensional Trench-MWPC detector for the D20 powder diffractometer at the Institut Laue–Langevin 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.

Jean-Claude Buffet et al.: One-dimensional Trench-MWPC detector for the D20 powder diffractometer at the Institut Laue–Langevin #NeutronDiffraction #NeutronDetectors #HeDetectors ... #IUCr https://journals.iucr.org/paper?S1600576726001251

Detector alignment for X-ray crystallography using Millepede-II 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.

Thomas A. White: Detector alignment for X-ray crystallography using Millepede-II #DetectorAlignment #XRayCrystallography #MillepedeII ... #IUCr https://journals.iucr.org/paper?S1600576726001287

On the investigation of the boron-implantation-induced transition from β-Ga2O3 to γ-Ga2O3 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.

Pavel Yunin et al.: On the investigation of the boron-implantation-induced transition from β-Ga2O3 to γ-Ga2O3 #GalliumOxide #BoronImplantation #PhaseTransformations ... #IUCr https://journals.iucr.org/paper?S1600576726001019

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

Therese S. S. Faurskov et al.: Sample environment for operando solid-state battery characterization @AarhusUni@AarhusUni@lundsuni@AarhusUni@DTUtweet@lundsuni@AarhusUni@AarhusUni@AarhusUni@AarhusUni@AarhusUni...#IUCr https://journals.iucr.org/paper?S1600576726000853

pyDiSCaMB: enabling the use of multipolar scattering factors in Phenix 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.

Viljar J. Femoen et al.: pyDiSCaMB: enabling the use of multipolar scattering factors in Phenix #QuantumCrystallography #MacromolecularCrystallography @stockholms_univ@stockholms_univ@stockholms_univ@stockholms_univ...#IUCr https://journals.iucr.org/paper?S1600576726000828

Spin-contrast-variation small-angle neutron scattering study of fully and partially swollen silica-filled rubber 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.

Yohei Noda et al.: Spin-contrast-variation small-angle neutron scattering study of fully and partially swollen silica-filled rubber #SmallAngleNeutronScattering #ContrastVariation #DynamicNuclearPolarization ... #IUCr https://journals.iucr.org/paper?S1600576726000361

Coincidence-site lattice investigation in the analysis of plesiotwinning. II. PLESIO software 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].

M​assimo Nespolo: Coincidence-site lattice investigation in the analysis of plesiotwinning. II. PLESIO software #CoincidenceSiteLattices #ComputerPrograms #Plesiotwinning ... #IUCr https://journals.iucr.org/paper?S1600576726001147

Twin-compartment solid–liquid cells for neutron reflectometry 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.

Nicoló Paracini et al.: Twin-compartment solid–liquid cells for neutron reflectometry #SolidLiquidCells #SampleEnvironments #NeutronReflectometry ... #IUCr https://journals.iucr.org/paper?S1600576726000919

Automatic calculation of symmetry-adapted tensors under spin-group symmetry: STENSOR, a new tool of the Bilbao Crystallographic Server 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.

Luis Elcoro et al.: Automatic calculation of symmetry-adapted tensors under spin-group symmetry: STENSOR, a new tool of the Bilbao Crystallographic Server #SpinPointGroups #MagneticPointGroups #SymmetryAdaptedTensors ... #IUCr https://journals.iucr.org/paper?S1600576726000944

A cryogenic probe for in situ delivery of gaseous samples for neutron scattering We describe an optimized gas-delivery stick for use with top-loading cryostats for neutron scattering measurements.

Chris Baldwin et al.: A cryogenic probe for in situ delivery of gaseous samples for neutron scattering #NeutronScattering #GasDelivery #Diffraction ... #IUCr https://journals.iucr.org/paper?S1600576726000543

Non-reciprocal spin excitations across the skyrmion–paramagnetic phase transition in MnSi 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.

T. Weber et al.: Non-reciprocal spin excitations across the skyrmion–paramagnetic phase transition in MnSi #Magnons #Skyrmions #InelasticNeutronScattering @TU_Muenchen...#IUCr https://journals.iucr.org/paper?S1600576725011537

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

Jungmin Kang et al.: Compact tape-driven sample delivery system for serial femtosecond crystallography #SerialFemtosecondCrystallography #XFEL #RoomTemperatureCrystallography @univkyoto@TohokuUniPR...#IUCr https://journals.iucr.org/paper?S1600576726000063

Software for small-angle neutron scattering contrast variation experiment planning and data analysis 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.

Susan Krueger et al.: Software for small-angle neutron scattering contrast variation experiment planning and data analysis #SmallAngleNeutronScattering #ContrastVariation #SASSIEWebPlatform ... #IUCr https://journals.iucr.org/paper?S1600576725011677

Quantum refinement with electron diffraction and X-ray free-electron laser data: comparative study of ribonucleotide reductase dimetal site 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.

Kristoffer J. M. Lundgren et al.: Quantum refinement with electron diffraction and X-ray free-electron laser data: comparative study of ribonucleotide reductase dimetal site @lundsuni@lundsuni@stockholms_univ...#IUCr https://journals.iucr.org/paper?S1600576725011264

Structural chirality and natural optical activity across the α to β phase transition in SiO2 and AlPO4 from first principles 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.

Fernando Gómez-Ortiz et al.: Structural chirality and natural optical activity across the α to β phase transition in SiO2 and AlPO4 from first principles #Chirality #NaturalOpticalActivity #Quartz ... #IUCr https://journals.iucr.org/paper?S1600576726000245

Machine learning approaches for crystallographic classification from synthetic 2D X-ray diffraction data 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.

Ayoub Shahnazari et al.: Machine learning approaches for crystallographic classification from synthetic 2D X-ray diffraction data #MachineLearning #ConvolutionalNeuralNetworks #CrystalSystemClassification @JMU...#IUCr https://journals.iucr.org/paper?S1600576726000099

Differences in hierarchical structural changes between unoriented P(3HB) and P(3HB-co-3HH) under stretching. Corrigendum The funding information for the article by Arakawa et al. [J. Appl. Cryst. (2025), 58, 886–896] is corrected.

M​asato Arakawa et al.: Differences in hierarchical structural changes between unoriented P(3HB) and P(3HB-co-3HH) under stretching. Corrigendum #CrystallinePolymers @univkyoto@UTokyo_News...#IUCr https://journals.iucr.org/paper?S1600576726000725

Describing neutron spin echo data from undulating lipid vesicles: recent advances 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.

Ingo Hoffmann et al.: Describing neutron spin echo data from undulating lipid vesicles: recent advances #NeutronSpinEcho #MembraneDynamics #Vesicles ... #IUCr https://journals.iucr.org/paper?S1600576725011343

Evolution of crystallographic texture and material anisotropy effects resulting from uniaxial deformation for high-strength steels with high manganese content 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.

M​ichael Zuern et al.: Evolution of crystallographic texture and material anisotropy effects resulting from uniaxial deformation for high-strength steels with high manganese content #CrystallographicTexture ... #IUCr https://journals.iucr.org/paper?S1600576725010350

Reverse Monte Carlo study of simulated AuPd diffusion couples 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.

Crossman and Unruh: Reverse Monte Carlo study of simulated AuPd diffusion couples #MonteCarloStudies #Diffraction #PairDistributionFunction ... #IUCr https://journals.iucr.org/paper?S1600576725010714

Guanosine hydro­gel as a new injection matrix for protein serial X-ray crystallography 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.

Alessia Pepe et al.: Guanosine hydro­gel as a new injection matrix for protein serial X-ray crystallography @UGrenobleAlpes@UGrenobleAlpes@UGrenobleAlpes@UGrenobleAlpes@UGrenobleAlpes@UGrenobleAlpes...#IUCr https://journals.iucr.org/paper?S1600576725011276

Compensation of chromatic dispersion in rocking curve imaging for high-resolution X-ray diffraction profile measurements 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.

Elena Ferrari et al.: Compensation of chromatic dispersion in rocking curve imaging for high-resolution X-ray diffraction profile measurements #RockingCurveImaging #ChromaticDispersion #ImagingResolution ... #IUCr https://journals.iucr.org/paper?S1600576725010349

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

Ainur Abukaev et al.: pygid: a Python package for fast data reduction in grazing-incidence diffraction #GIXD #GISAXS #GIWAXS ... #IUCr https://journals.iucr.org/paper?S1600576725010593