Journal of Applied Crystallography

Article	Citations
From solution to structure: empowering inclusive cryo-EM with a pre-characterization pipeline for biological samples	202
Chemical units of binary solid-solution alloys directly derived from short-range-order parameters	186
Energy-dispersive Laue diffraction analysis of the influence of statherin and histatin on the crystallographic texture during human dental enamel demineralization	129
Free tools for crystallographic symmetry handling and visualization	88
Automated pipeline processing X-ray diffraction data from dynamic compression experiments on the Extreme Conditions Beamline of PETRA III	70
Radial spin echo small-angle neutron scattering method: concept and performance	59
X-ray scattering study of GaN nanowires grown on Ti/Al2O3 by molecular beam epitaxy	57
Indium Kα radiation from a MetalJet X-ray source: the long way to a successful charge-density investigation	53
Pydidas: a tool for automated X-ray diffraction data analysis	46
Form factor of helical structures and twisted fibres	37
X-ray tensor tomography for small-grained polycrystals with strong texture	35
Solving disorder in (3D) real space: a comparative study of the three-dimensional difference pair distribution function and atomic resolution holography reconstructions	33
Strain-induced density fluctuations in linear low-density polyethylene	31
Patching-based deep-learning model for the inpainting of Bragg coherent diffraction patterns affected by detector gaps	30
Direct derivation of the pair distance distribution function with application to biological small-angle scattering data	28
mcstas_gisans : combining ray tracing with the distorted-wave Born approximation using McStas and BornA	28
EDP2PDF: a computer program for extracting a pair distribution function from an electron diffraction pattern for the structural analysis of materials	27
Structural characteristics of Bi2O2CO3 nanosheets synthesized by nano-pulsed discharges in water	25
Structural and electronic properties of Mo-decorated graphene, reduced graphene and reduced graphene oxide: a DFT calculation	24
Combination of an inject-and-transfer system for serial femtosecond crystallography	23
ProLEED Studio: software for modeling low-energy electron diffraction patterns	23
Electron diffraction characterization of nanocrystalline materials using a Rietveld-based approach. Part II. Application to microstructural analysis	23
Classification and statistical analysis of structural disorder in crystalline materials	23
Twinning and homoepitaxy cooperation in the already rich growth morphology of CaCO3 polymorphs. I. Aragonite	22
A simple solution to the Rietveld refinement recipe problem	21

Fast Radon transforms for high-precision EBSD orientation determination using PyEBSDIndex	21
Thermal expansion of LaB6 from 298 to 998 K	21
HTD2: a single-crystal X-ray diffractometer for combined high-pressure/low-temperature experiments at laboratory scale	21
Rocking-curve imaging of high-quality protein crystals by non-dispersive X-ray optics in the double-crystal configuration	21
Experimental setup for high-resolution characterization of crystal optics for coherent X-ray beam applications	21
PRINSAS 2.0: a Python-based graphical user interface tool for fitting polydisperse spherical pore models in small-angle scattering analysis of porous materials	20
Measurement of the spin-wave stiffness and energy gap in the magnon spectrum of amorphous ferromagnets by small-angle scattering of polarized neutrons	20
A spherical harmonics method for processing anisotropic X-ray atomic pair distribution functions	19
Phase retrieval based on a total-variation-regularized Poisson model for X-ray ptychographic imaging of low-contrast objects	19
Evolution of crystallographic texture and material anisotropy effects resulting from uniaxial deformation for high-strength steels with high manganese content	19
Brittle fracture studied by ultra-high-speed synchrotron X-ray diffraction imaging	19
Program VUE: analysing distributions of cryo-EM projections using uniform spherical grids	19
Multifitting 2: software for reflectometric, off-specular and grazing-incidence small-angle scattering analysis of multilayer nanofilms	18
Absolute scattering length density profile of liposome bilayers obtained by SAXS combined with GIXOS: a tool to determine model biomembrane structure	17
Texture-based residual stress analysis of laser powder bed fused Inconel 718 parts	16
A comparison of deep-learning-based inpainting techniques for experimental X-ray scattering	16
Refinements for Bragg coherent X-ray diffraction imaging: electron backscatter diffraction alignment and strain field computation	16
Dehydroxylation and structural transition in α-GaOOH investigated by in situ X-ray diffraction	16
pygid : a Python package for fast data reduction in grazing-incidence diffraction	16
Observation of in-plane shear stress fields in off-axis SiC wafers by birefringence imaging	15
Probing the out-of-equilibrium dynamics of driven colloids by X-ray photon correlation spectroscopy	15
Efficient detection of deformation-induced microstructural modifications in polycrystalline micropillars using scanning X-ray nanodiffraction	14
Flow-Xl: a new facility for the analysis of crystallization in flow systems	14
Finite-element simulation for crystals with surface undulations based on Takagi–Taupin theory	14
Simulation and modelling of the detergent corona around the membrane protein MhsT based on SAXS data	14
Overview of ParaCell package for indexing in powder diffraction	14
Line profile analysis of energy-scanned Laue microdiffraction peaks using the modified Williamson–Hall and modified Warren–Averbach methods	14
When the difference between incommensurate and commensurate structures becomes elusive: the case of Bi4BO7 X (X = Cl, Br) oxyhalides	14
Inferring effective electrostatic interaction of charge-stabilized colloids from scattering using deep learning	14
Model for small-angle scattering analysis of membranes with protein-like inclusions	14
Low-dose electron microscopy imaging for beam-sensitive metal–organic frameworks	14
On the dependence of creep-induced dislocation configurations on crystallographic orientation in pure Al and Al–Mg	14
LaueNN: neural-network-based hkl recognition of Laue spots and its application to polycrystalline materials	13
Two-step GISAXS characterization of NiSi2 nanoplates and Ni nanocrystals embedded in a silicon wafer covered with a silica thin film	13
On the investigation of the boron-implantation-induced transition from β-Ga 2 O 3 to γ-Ga	13
Phase-contrast neutron imaging compared with wave propagation and McStas simulations	13
pdCIFplotter: visualizing powder diffraction data in pdCIF format	13
DLSIA: Deep Learning for Scientific Image Analysis	13
Automatic calculation of symmetry-adapted tensors under spin-group symmetry: STENSOR , a new tool of the Bilbao Crystallographic Server	12
AstroECP : towards more practical electron channeling contrast imaging	12
Solid–solid phase transformation of aspirin at high pressures and room temperatures	12
RAPIDviewer : an ImageJ script for visualization and analysis of indexed electron diffraction patterns of cubic materials	12
Using XAS to monitor radiation damage in real time and post-analysis, and investigation of systematic errors of fluorescence XAS for Cu-bound amyloid-β	12
One-dimensional Trench-MWPC detector for the D20 powder diffractometer at the Institut Laue–Langevin	12
Ray-tracing analytical absorption correction for X-ray crystallography based on tomographic reconstructions	12
Optimization strategies and artifacts of time-involved small-angle neutron scattering experiments	11
Principal component analysis luminescence thermometry of Ce3+ – case study of BaF2:Ce3+ single crystals	11
Guanosine hydrogel as a new injection matrix for protein serial X-ray crystallography	11
Quantifying dispersity in size and shape of nanoparticles from small-angle scattering data using machine learning based CREASE	11
Kinetics of light-induced mesophase transitions in azobenzene amphiphiles containing lyotropic liquid crystals	11

Reconstruction algorithms for grain mapping by laboratory X-ray diffraction contrast tomography	11
Coherent X-ray diffraction imaging of single particles: background impact on 3D reconstruction	11
Optimizing experimental design in neutron reflectometry	11
(U)SAXS characterization of porous microstructure of chert: insights into organic matter preservation	11
Resonant neutron scattering lengths	11
Effect of the crystallographic orientation of the surface of single-crystal Si wafers on the endotaxial growth of NiSi2 nanoplates	11
In situ biaxial loading and multi-scale deformation measurements of nanostructured materials at the CoSAXS beamline at MAX IV Laboratory	10
An inclined detector geometry for improved X-ray total scattering measurements	10
From symmetry operations to dimensional restrictions: a mathematical formalization of unit-cell constraints for the seven crystal systems in crystallography	10
Olga Kennard OBE FRS (1924–2023)	10
Dislocation substructures in pure aluminium after creep deformation as studied by electron backscatter diffraction	10
Three-point bending behavior of individual ZnO nanowires studied by in situ Laue microdiffraction	10
Impact of substrate curvature on grazing-incidence small-angle X-ray scattering signal: theory and example of Ag thin-film growth	10
Microstructural changes in building materials after various consolidation treatments studied by small-angle neutron scattering, mercury intrusion porosimetry and scanning electron microscopy	10
Quantitative texture analysis at the WAND2 and HIDRA diffractometers	10
Designing a dataset for convolutional neural networks to predict space groups consistent with extinction laws	10
Reflectivity spectra as absorption resonant spectra: is it correct?	10
Quantifying interflake ordering in graphene oxide films via wide-angle X-ray scattering analysis	10
An extended thermal pressure equation of state for sodium fluoride	10
Novel methodology to determine thermal properties of nanoparticles exclusively based on SAXS measurements applied to Bi nanocrystals and nanodroplets in a glass matrix	10
Quality assessment of the wide-angle detection option planned at the high-intensity/extended Q -range SANS diffractometer KWS-2 combining experiments and	10
AlphaFold, small-angle X-ray scattering and ensemble modelling: a winning combination for intrinsically disordered proteins	9
Effect of the nitrogen content of sputtering gas during Ni deposition on Ni/Ti periodic multilayers and neutron supermirror performance	9
OPUS: an easy way to push the limits of SANS instruments towards USANS	9
Energy-dispersive X-ray stress analysis under geometric constraints: exploiting the material's inherent anisotropy	9
Symmetry groups of the Batak basketweave patterns	9
Electronic angle focusing for neutron time-of-flight powder diffractometers	9
Analysis of time-of-flight small-angle neutron scattering data on mesoscopic crystals such as magnetic vortex lattices	9
Insights into the precipitation kinetics of CaCO3 particles in the presence of polystyrene sulfonate using in situ small-angle X-ray scattering	9
Uniaxial polarization analysis of bulk ferromagnets: theory and first experimental results	9
In situ counter-diffusion crystallization and long-term crystal preservation in microfluidic fixed targets for serial crystallography	9
Robust phase determination in complex solid solutions using diffuse multiple scattering	9
Determination of the degree of crystallinity of polyphenylene sulfide composited with crystalline and non-crystalline fillers by applying the direct derivation method	9
Form factor of prismatic particles for small-angle scattering analysis	9
A correction procedure for secondary scattering contributions from windows in small-angle X-ray scattering and ultra-small-angle X-ray scattering	9
Intensity corrections for grazing-incidence X-ray diffraction of thin films using static area detectors	8
Pair distribution function analysis of nano-object assemblies	8
Linearization routines for the parameter space concept to determine crystal structures without Fourier inversion	8
Combining synchrotron X-ray diffraction, mechanistic modeling and machine learning for in situ subsurface temperature quantification during laser melting	8
Thickness independence of antiferroelectric domain characteristic sizes in epitaxial PbZrO3/SrRuO3/SrTiO3 films	8
Software for small-angle neutron scattering contrast variation experiment planning and data analysis	8
The Knowledge Machine: How an Unreasonable Idea Created Modern Science. By Michael Strevens. Penguin, 2022. Pp. 368. Price GBP 7.99 (Kindle), GBP 9.95 (paperback). ISBN 9780141981260.	8
Sub-second pair distribution function using a broad bandwidth monochromator	8
Thermal behavior of römerite over a Mars surface relevant temperature range: single-crystal and powder X-ray crystallography and magnetic properties	8
Local orthorhombic phase in zirconium oxide nanocrystals: insights from X-ray pair distribution function analysis	8
Determination of the average crystallite size and the crystallite size distribution: the envelope function approach EnvACS	8
Wombat, the high-intensity diffractometer in operation at the Australian Centre for Neutron Scattering	8
Specimen-displacement correction for powder X-ray diffraction in Debye–Scherrer geometry with a flat area detector. Erratum	8
Thermodynamic and crystal-chemical conditions for the formation of rotationally ordered phases in rare earth perovskites	8
Revisiting the structures and phase transitions of PrNiO 3 nickelate using symmetry-mode analysis	8
Representative volume elements of strain/stress fields measured by diffraction techniques	8
xrd_simulator: 3D X-ray diffraction simulation software supporting 3D polycrystalline microstructure morphology descriptions	8
Generating random unit cells	8
Escape our Lab: creating an escape room game in the field of materials science and crystallography	7
Determining lattice parameters from two electron diffraction patterns	7
Maximally efficient exchange in thin flow cells using density gradients	7
A user-friendly goniometer-compatible fixed-target platform for macromolecular crystallography at synchrotrons	7
Multilevel atomic structural model for interstratified opal materials	7
Duality of spaces and the origin of integral reflection conditions	7
Physics-informed machine learning analysis for nanoscale grain mapping by synchrotron Laue microdiffraction	7
Reconstructing the reflectivity of liquid surfaces from grazing incidence X-ray off-specular scattering data	7
Domain Auto Finder (DAFi) program: the analysis of single-crystal X-ray diffraction data from polycrystalline samples	7
Quantitative selection of sample structures in small-angle scattering using Bayesian methods	7
DISEMM: a tool for the investigation of elasto-plastic behaviour on polycrystalline samples using X-ray and neutron diffraction	7
Carles Miravitlles (1942–2023)	7
A new technical solution to the problem of increasing the resolution of X-ray diffraction methods	7
Bias caused by a popular weighting scheme	7
Accessing self-diffusion on nanosecond time and nanometre length scales with minute kinetic resolution	7
PYXIS: an integrated software package for synchrotron micro/nanodiffraction data analysis	7
Velocity gradient dependent structures of 12–2–12 wormlike micelles: insights from small-angle neutron scattering in the 1–2 shear plane	7
Site dependence of the magnetocaloric effect in Mn5−x Fe x Si3	7
New para -hydrogen cold neutron source at the Budapest Research Reactor: Monte Carlo simulations	7
CX-ASAP : a high-throughput tool for the serial refinement and analysis of crystallographic data collected under varying conditions	7
Efficient data reduction for time-of-flight neutron scattering experiments on single crystals	7
Anomalous X-ray diffraction on hybrid perovskite thin films: results and challenges	7
Powder-diffraction-based structural comparison for crystal structure prediction without prior indexing	7
101 contact twins in gypsum experimentally obtained from calcium carbonate enriched solutions: mineralogical implications for natural gypsum deposits	6
Derivation of the small-angle scattering profile of a target biomacromolecule from a profile deteriorated by aggregates. AUC–SAS	6
X-ray data reconstruction from incomplete data sampling	6
The effect of transverse wavefront width on specular neutron reflection	6

Characterization of sub-micrometre-sized voids in fixed human brain tissue using scanning X-ray microdiffraction	6
Use of electron backscatter diffraction patterns to determine the crystal lattice. Part 1. Where is the Bragg angle?	6
Spatz: the time-of-flight neutron reflectometer with vertical sample geometry at the OPAL research reactor	6
Scientific Testimony. By Mikkel Gerken. Oxford University Press, 2022. Pp. 320. GBP 65. ISBN 9780198857273.	6
Seismic noise in crystal neutron interferometry	6
Dynamic catcher for stabilization of high-viscosity extrusion jets	6
Simultaneous SANS/FTIR measurement system incorporating the ATR sampling method	6
Automation of Rietveld refinement through machine learning	6
Residual stress depth profiling based on a triaxial stress model: the principal stress gradients in magnetron-sputtered molybdenum films	6
Two metrics for quantifying systematic errors in diffraction experiments: systematic errors in the variance of the observed intensities and agreement factor gap	6
Neutron absorption correction and mean path length calculations for multiple samples with arbitrary shapes: application to highly absorbing samples on the Multi-Axis Crystal Spectrometer at NIST	6
Angle- and energy-dispersive diffraction used to determine stress evolution in 17-4 PH stainless steel produced by ADAM and subjected to SMAT processing	6
Small-angle X-ray scattering profile calculation for high-resolution models of biomacromolecules	6
Integrating machine learning interatomic potentials with hybrid reverse Monte Carlo structure refinements in RMCProfile	6
A History of Scientific Journals: Publishing at the Royal Society, 1665–2015. By Aileen Fyfe, Noah Moxham, Julie McDougall-Waters and Camilla Mørk Røstvik. University College London Press, 2022	6
Upgrade of the KWS-2 high-intensity/extended-Q-range SANS diffractometer of JCNS for soft matter and biophysics: in situ SEC, controlled in situ RH/T variation and WANS detection	6
crystchemlib: a Python library and GUI for analysis of crystal structure datasets	6
Exploiting Friedel pairs to interpret scanning 3DXRD data from complex geological materials	6
On the magnitude of error in the determination of rotation axes	6
Extending the depth range in energy-dispersive X-ray stress analysis by simultaneous multi-detector data acquisition in equatorial scattering geometry	6
Pushing the limits of accessible length scales via a modified Porod analysis in small-angle neutron scattering on ordered systems	6
Small-angle X-ray scattering in the era of fourth-generation light sources	6
Benchmarking a modern laboratory-based powder diffraction instrument for in situ studies in transmission geometry	6
CyRSoXS: a GPU-accelerated virtual instrument for polarized resonant soft X-ray scattering	6
Coordinate-based simulation of pair distance distribution functions for small and large molecular assemblies: implementation and applications	6
Aspherical atom refinements on X-ray data of diverse structures including disordered and covalent organic framework systems: a time–accuracy trade-off	6
DXRD: a user-friendly suite of two- and multiple-beam dynamical X-ray diffraction programs	6
Synthesizing pseudo-Kossel lines from neutron transmission data. I. An analytical approach for recovering single-crystal orientation	6
A computational approach to predict and enhance the sensitivity of X-ray resonant magnetic reflectometry to the magnetic behavior of deeply buried interfaces	6
Hydrostatic behaviour of highly inert Fomblin and Halocarbon fluids as pressure-transmitting media in high-pressure experiments	6
Insights into the structural symmetry of YCrO3 from synchrotron X-ray diffraction	6
Highly effective removal of formaldehyde from aqueous solution using mesoporous ɛ-MnO2 crystals at room temperature	6
Time-resolved high-energy X-ray diffraction studies of ultrathin Ni ferrite films on MgO(001)	6
Rheo-SAXS study on electrically responsive hydrogels with shear-induced conductive micellar networks for on-demand drug release	6
Extracting the morphology of gold bipyramids from small-angle X-ray scattering experiments via form factor modelling	6
A machine-learning-driven data labeling pipeline for scientific analysis in MLExchange	6
Determination of crystallographic texture in polycrystalline materials from wavelength-resolved neutron transmission experiments: application to high-symmetry crystals	5
Non-destructive texture characterization by a robot-arm-driven X-ray diffractometer	5
Measurable structure factors of dense dispersions containing polydisperse optically inhomogeneous particles	5
MoloVol : an easy-to-use program for analyzing cavities, volumes and surface areas of chemical structures	5
Simulation of bent Laue crystals for a high-energy X-ray monochromator with heat load consideration	5
Implications of size dispersion on X-ray scattering of crystalline nanoparticles: CeO2 as a case study	5
Elastic behaviour of orientation-correlated grains in multiphase aggregates	5
LamelODF : a MATLAB-based toolbox for orientation distribution analysis and mapping of lamellar minerals for laboratory and synchrotron X-ray diffractometers	5
Crystallite orientation and lateral material distribution in transition metal dichalcogenide thin films studied by laboratory GIWAXS	5
Gwaihir: Jupyter Notebook graphical user interface for Bragg coherent diffraction imaging	5
Adaptively coupled phase retrieval in multi-peak Bragg coherent diffraction imaging	5
Automated and real-time structure solution using 3D electron diffraction	5
DFT2FEFFIT : a density-functional-theory-based structural toolkit to analyze EXAFS spectra	5
Progress in detection of and correction for low-energy contamination	5
X-ray diffraction imaging of fully packaged n–p–n transistors under accelerated ageing conditions	5
Laboratory X-ray powder micro-diffraction in the research of painted artworks	5
Local variations of the piezoelectric properties of an LiNb(1−x)Ta x O3 crystal	5
Magnetic contrast layers with functional SiO 2 coatings for soft-matter studies with polarized neutron reflectometry	5
Fourier modal method for calculating neutron scattering from surface-relief and bulk diffraction gratings	5
Polar orientation and extension in a novel crystallographic model for PbTiO3-based perovskites explaining the experimental ferroelectric thermal anomalies	5
High-pressure intrusion of double salt aqueous solution in pure silica chabazite: searching for cation selectivity	5
The Radon transform as a tool for 3D reciprocal-space mapping of epitaxial microcrystals	5
High-resolution 3D grain orientation mapping by inclined scanning 3D X-ray diffraction microscopy	5
Design of multi-shell nested fully annular quasi-ellipsoidal focusing mirrors for small-angle neutron scattering	5
PyExtal : a Python package for quantitative convergent-beam electron diffraction	5
Extended Q-range small-angle neutron scattering to understand the morphology of proton-exchange membranes: the case of the functionalized syndiotactic-polystyrene model system	5
In situ neutron diffraction to investigate the solid-state synthesis of Ni-rich cathode materials	5
Differences in hierarchical structural changes between unoriented P(3HB) and P(3HB- co -3HH) under stretching. Corrigendum	5
A multipurpose laboratory diffractometer for operando powder X-ray diffraction investigations of energy materials	5
Refinement of the uranium dispersion corrections from anomalous diffraction	5
Synthesizing pseudo-Kossel lines from neutron transmission data. II. Validation with neutron diffraction data	5
Exploring a nanostructured X-ray optical device for improved spatial resolution in laboratory X-ray diffraction imaging	5
Ptychographic phase retrieval via a deep-learning-assisted iterative algorithm	5
Operando anomalous X-ray powder diffraction interleaved with X-ray absorption spectroscopy using a scanning 2D imaging detector on the XMaS beamline: design, implementation and performance	5
Brian H. O'Connor (1940–2024)	5
Approximate resolution convolution function for fitting a dispersion gap measured on a triple-axis spectrometer	5
Journal of Applied Crystallography welcomes eight new Co-editors	5
In situ small-angle X-ray scattering measurement at the Very Small Angle Neutron Scattering Instrument at the China Spallation Neutron Source	5
The FALCON double-detector Laue diffractometer add-on for grain mapping at POLDI	5
diffpy.mpdf: open-source software for magnetic pair distribution function analysis	5
Magnetic-lens-generated polarized neutron beam with enhanced intensity and Q resolution for small-angle neutron scattering	5
Using 2D integral breadth to study plastic relaxation in a quasi-lattice-matched HgCdTe/CdZnTe heterostructure	5
Position-independent product increase rate in a shaker mill revealed by position-resolved in situ synchrotron powder X-ray diffraction	5
A method for pole figure measurements via a dynamic segmented spiral scheme	5
Pair distribution function analysis of discrete nanomaterials in PDFgui	5
Upgraded LauePt4 for rapid recognition and fitting of Laue patterns from crystals with unknown orientations	5
Towards real-time analysis of liquid jet alignment in serial femtosecond crystallography	5
Use of a confocal optical device for centring a diamond anvil cell in single-crystal X-ray diffraction experiments	5