Journal of Applied Crystallography

Article	Citations
Radial spin echo small-angle neutron scattering method: concept and performance	152
X-ray scattering study of GaN nanowires grown on Ti/Al2O3 by molecular beam epitaxy	98
Pydidas: a tool for automated X-ray diffraction data analysis	75
Patching-based deep-learning model for the inpainting of Bragg coherent diffraction patterns affected by detector gaps	65
Direct derivation of the pair distance distribution function with application to biological small-angle scattering data	63
X-ray tensor tomography for small-grained polycrystals with strong texture	60
mcstas_gisans : combining ray tracing with the distorted-wave Born approximation using McStas and BornA	59
EDP2PDF : a computer program for extracting a pair distribution function from an electron diffraction pattern for the structural analysis of materials	53
Strain-induced density fluctuations in linear low-density polyethylene	50
Energy-dispersive Laue diffraction analysis of the influence of statherin and histatin on the crystallographic texture during human dental enamel demineralization	36
From solution to structure: empowering inclusive cryo-EM with a pre-characterization pipeline for biological samples	35
Form factor of helical structures and twisted fibres	34
Chemical units of binary solid-solution alloys directly derived from short-range-order parameters	31
Automated pipeline processing X-ray diffraction data from dynamic compression experiments on the Extreme Conditions Beamline of PETRA III	31
Free tools for crystallographic symmetry handling and visualization	29
Indium K α radiation from a MetalJet X-ray source: the long way to a successful charge-density investigation	28
Experimental setup for high-resolution characterization of crystal optics for coherent X-ray beam applications	28
Solving disorder in (3D) real space: a comparative study of the three-dimensional difference pair distribution function and atomic resolution holography reconstructions	28
HTD2: a single-crystal X-ray diffractometer for combined high-pressure/low-temperature experiments at laboratory scale	28
Multifitting 2: software for reflectometric, off-specular and grazing-incidence small-angle scattering analysis of multilayer nanofilms	27
Twinning and homoepitaxy cooperation in the already rich growth morphology of CaCO3 polymorphs. I. Aragonite	27
Absolute scattering length density profile of liposome bilayers obtained by SAXS combined with GIXOS: a tool to determine model biomembrane structure	26
Measurement of the spin-wave stiffness and energy gap in the magnon spectrum of amorphous ferromagnets by small-angle scattering of polarized neutrons	24
A spherical harmonics method for processing anisotropic X-ray atomic pair distribution functions	24
Thermal expansion of LaB 6 from 298 to 998 K	23

PRINSAS 2.0 : a Python-based graphical user interface tool for fitting polydisperse spherical pore models in small-angle scattering analysis of porous materials	23
Program VUE : analysing distributions of cryo-EM projections using uniform spherical grids	21
Structural characteristics of Bi 2 O 2 CO 3 nan	21
A simple solution to the Rietveld refinement recipe problem	21
Evolution of crystallographic texture and material anisotropy effects resulting from uniaxial deformation for high-strength steels with high manganese content	20
Electron diffraction characterization of nanocrystalline materials using a Rietveld-based approach. Part II. Application to microstructural analysis	20
Texture-based residual stress analysis of laser powder bed fused Inconel 718 parts	20
Dehydroxylation and structural transition in α-GaOOH investigated by in situ X-ray diffraction	20
Structural and electronic properties of Mo-decorated graphene, reduced graphene and reduced graphene oxide: a DFT calculation	19
Classification and statistical analysis of structural disorder in crystalline materials	19
pygid : a Python package for fast data reduction in grazing-incidence diffraction	19
Fast Radon transforms for high-precision EBSD orientation determination using PyEBSDIndex	18
Rocking-curve imaging of high-quality protein crystals by non-dispersive X-ray optics in the double-crystal configuration	18
ProLEED Studio : software for modeling low-energy electron diffraction patterns	17
Refinements for Bragg coherent X-ray diffraction imaging: electron backscatter diffraction alignment and strain field computation	17
Probing the out-of-equilibrium dynamics of driven colloids by X-ray photon correlation spectroscopy	16
A comparison of deep-learning-based inpainting techniques for experimental X-ray scattering	16
Convergent-beam X-ray crystallography	16
Solid–solid phase transformation of aspirin at high pressures and room temperatures	15
Line profile analysis of energy-scanned Laue microdiffraction peaks using the modified Williamson–Hall and modified Warren–Averbach methods	15
Model for small-angle scattering analysis of membranes with protein-like inclusions	15
On the dependence of creep-induced dislocation configurations on crystallographic orientation in pure Al and Al–Mg	15
One-dimensional Trench-MWPC detector for the D20 powder diffractometer at the Institut Laue–Langevin	15
Flow-Xl: a new facility for the analysis of crystallization in flow systems	15
When the difference between incommensurate and commensurate structures becomes elusive: the case of Bi 4 BO 7	14
DLSIA: Deep Learning for Scientific Image Analysis	14
Low-dose electron microscopy imaging for beam-sensitive metal–organic frameworks	14
Phase-contrast neutron imaging compared with wave propagation and McStas simulations	14
Simulation and modelling of the detergent corona around the membrane protein MhsT based on SAXS data	14
Two-step GISAXS characterization of NiSi 2 nanoplates and Ni nanocrystals embedded in a silicon wafer covered with a silica thin film	14
AstroECP : towards more practical electron channeling contrast imaging	13
Overview of ParaCell package for indexing in powder diffraction	13
On the investigation of the boron-implantation-induced transition from β-Ga 2 O 3 to γ-Ga	13
Automatic calculation of symmetry-adapted tensors under spin-group symmetry: STENSOR , a new tool of the Bilbao Crystallographic Server	13
Efficient detection of deformation-induced microstructural modifications in polycrystalline micropillars using scanning X-ray nanodiffraction	13
Inferring effective electrostatic interaction of charge-stabilized colloids from scattering using deep learning	13
Ray-tracing analytical absorption correction for X-ray crystallography based on tomographic reconstructions	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
RAPIDviewer : an ImageJ script for visualization and analysis of indexed electron diffraction patterns of cubic materials	12
Principal component analysis luminescence thermometry of Ce 3+ – case study of BaF 2 :Ce	12
Resonant neutron scattering lengths	12
Finite-element simulation for crystals with surface undulations based on Takagi–Taupin theory	12
Kinetics of light-induced mesophase transitions in azobenzene amphiphiles containing lyotropic liquid crystals	12
Reconstruction algorithms for grain mapping by laboratory X-ray diffraction contrast tomography	12
Quantifying dispersity in size and shape of nanoparticles from small-angle scattering data using machine learning based CREASE	11
(U)SAXS characterization of porous microstructure of chert: insights into organic matter preservation	11
Optimization strategies and artifacts of time-involved small-angle neutron scattering experiments	11
Rust-accelerated powder X-ray diffraction simulation for high-throughput and machine-learning-driven materials science	11
Guanosine hydrogel as a new injection matrix for protein serial X-ray crystallography	11
Effect of the crystallographic orientation of the surface of single-crystal Si wafers on the endotaxial growth of NiSi 2 nanoplates	11

Coherent X-ray diffraction imaging of single particles: background impact on 3D reconstruction	10
An inclined detector geometry for improved X-ray total scattering measurements	10
In situ biaxial loading and multi-scale deformation measurements of nanostructured materials at the CoSAXS beamline at MAX IV Laboratory	10
Designing a dataset for convolutional neural networks to predict space groups consistent with extinction laws	10
Impact of substrate curvature on grazing-incidence small-angle X-ray scattering signal: theory and example of Ag thin-film growth	10
AlphaFold, small-angle X-ray scattering and ensemble modelling: a winning combination for intrinsically disordered proteins	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
A neutron microscope using a nested Wolter-I condenser and a bank of diffractive–refractive achromatic objectives	10
Three-point bending behavior of individual ZnO nanowires studied by in situ Laue microdiffraction	10
From symmetry operations to dimensional restrictions: a mathematical formalization of unit-cell constraints for the seven crystal systems in crystallography	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
An extended thermal pressure equation of state for sodium fluoride	10
Revisiting the structures and phase transitions of PrNiO 3 nickelate using symmetry-mode analysis	9
Analysis of time-of-flight small-angle neutron scattering data on mesoscopic crystals such as magnetic vortex lattices	9
Olga Kennard OBE FRS (1924–2023)	9
Novel methodology to determine thermal properties of nanoparticles exclusively based on SAXS measurements applied to Bi nanocrystals and nanodroplets in a glass matrix	9
Local orthorhombic phase in zirconium oxide nanocrystals: insights from X-ray pair distribution function analysis	9
Form factor of prismatic particles for small-angle scattering analysis	9
Linearization routines for the parameter space concept to determine crystal structures without Fourier inversion	9
In situ counter-diffusion crystallization and long-term crystal preservation in microfluidic fixed targets for serial crystallography	9
Quantitative texture analysis at the WAND 2 and HIDRA diffractometers	9
Gas-controlled capillary spinner for time-resolved powder X-ray diffraction under dynamic conditions	9
A correction procedure for secondary scattering contributions from windows in small-angle X-ray scattering and ultra-small-angle X-ray scattering	9
Combining synchrotron X-ray diffraction, mechanistic modeling and machine learning for in situ subsurface temperature quantification during laser melting	9
Determination of the degree of crystallinity of polyphenylene sulfide composited with crystalline and non-crystalline fillers by applying the direct derivation method	9
Electronic angle focusing for neutron time-of-flight powder diffractometers	9
Microstructural changes in building materials after various consolidation treatments studied by small-angle neutron scattering, mercury intrusion porosimetry and scanning electron microscopy	9
Energy-dispersive X-ray stress analysis under geometric constraints: exploiting the material's inherent anisotropy	9
Towards machine-learning-based on-the-fly analysis of neutron reflectometry	9
OPUS: an easy way to push the limits of SANS instruments towards USANS	8
Software for small-angle neutron scattering contrast variation experiment planning and data analysis	8
Representative volume elements of strain/stress fields measured by diffraction techniques	8
Pair distribution function analysis of nano-object assemblies	8
Cryo-EM–microcrystal electron diffraction structural elucidation of cefadroxil: nanocrystallographic and neurotherapeutic insights into a β-lactam antibiotic	8
Wombat, the high-intensity diffractometer in operation at the Australian Centre for Neutron Scattering	8
Thermodynamic and crystal-chemical conditions for the formation of rotationally ordered phases in rare earth perovskites	8
Thickness independence of antiferroelectric domain characteristic sizes in epitaxial PbZrO 3 /SrRuO 3	8
xrd_simulator : 3D X-ray diffraction simulation software supporting 3D polycrystalline microstructure morphology descriptions	8
Determination of the average crystallite size and the crystallite size distribution: the envelope function approach EnvACS	8
Robust phase determination in complex solid solutions using diffuse multiple scattering	8
Thermal behavior of römerite over a Mars surface relevant temperature range: single-crystal and powder X-ray crystallography and magnetic properties	8
Insights into the precipitation kinetics of CaCO 3 particles in the presence of polystyrene sulfonate using in situ	8
Symmetry groups of the Batak basketweave patterns	8
Effect of the nitrogen content of sputtering gas during Ni deposition on Ni/Ti periodic multilayers and neutron supermirror performance	8
Intensity corrections for grazing-incidence X-ray diffraction of thin films using static area detectors	8
Anomalous X-ray diffraction on hybrid perovskite thin films: results and challenges	7
Efficient data reduction for time-of-flight neutron scattering experiments on single crystals	7
New para -hydrogen cold neutron source at the Budapest Research Reactor: Monte Carlo simulations	7
Sub-second pair distribution function using a broad bandwidth monochromator	7
A new technical solution to the problem of increasing the resolution of X-ray diffraction methods	7
Quantitative selection of sample structures in small-angle scattering using Bayesian methods	7
Carles Miravitlles (1942–2023)	7
X-ray data reconstruction from incomplete data sampling	7
Physical interpretation of Stephens' phenomenological parameters for anisotropic microstrain broadening in cubic systems	7
mmCIF Validator : a comprehensive validation tool for structural biology data files	7
Design of polychromatic focusing optics for neutron reflectometers: rethinking REFocus optics	7
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 978	7
Specimen-displacement correction for powder X-ray diffraction in Debye–Scherrer geometry with a flat area detector. Erratum	7
Multilevel atomic structural model for interstratified opal materials	7
Duality of spaces and the origin of integral reflection conditions	7
Bias caused by a popular weighting scheme	7
PYXIS : an integrated software package for synchrotron micro/nanodiffraction data analysis	7
Physics-informed machine learning analysis for nanoscale grain mapping by synchrotron Laue microdiffraction	7
Two metrics for quantifying systematic errors in diffraction experiments: systematic errors in the variance of the observed intensities and agreement factor gap	7
Integrated analysis with iCM-SANS, SAXS and MD simulations for dynamics of multi-domain proteins	7
Accessing self-diffusion on nanosecond time and nanometre length scales with minute kinetic resolution	7
CX-ASAP : a high-throughput tool for the serial refinement and analysis of crystallographic data collected under varying conditions	7
Domain Auto Finder ( DAFi ) program: the analysis of single-crystal X-ray diffraction data from polycrystalline samples	7
A user-friendly goniometer-compatible fixed-target platform for macromolecular crystallography at synchrotrons	7
Escape our Lab: creating an escape room game in the field of materials science and crystallography	7
Powder-diffraction-based structural comparison for crystal structure prediction without prior indexing	7
X-ray-induced hydride formation in palladium nanowires in a gaseous hydrogen environment	7
Reconstructing the reflectivity of liquid surfaces from grazing incidence X-ray off-specular scattering data	7
Velocity gradient dependent structures of 12–2–12 wormlike micelles: insights from small-angle neutron scattering in the 1–2 shear plane	7
Feasibility of correlation-aware inference and universal precision scaling in Bonse–Hart ultra-small-angle neutron scattering	7
Site dependence of the magnetocaloric effect in Mn 5− x Fe	7
GenL : an extensible fitting program for Laue oscillations and whole-pattern fitting	7
Modeling small-angle scattering data of porous and/or bicontinuous structures in n dimensions	6
Rheo-SAXS study on electrically responsive hydrogels with shear-induced conductive micellar networks for on-demand drug release	6

Small-angle X-ray scattering in the era of fourth-generation light sources	6
Extracting the morphology of gold bipyramids from small-angle X-ray scattering experiments via form factor modelling	6
Pushing the limits of accessible length scales via a modified Porod analysis in small-angle neutron scattering on ordered systems	6
CyRSoXS : a GPU-accelerated virtual instrument for polarized resonant soft X-ray scattering	6
Exploiting Friedel pairs to interpret scanning 3DXRD data from complex geological materials	6
1 01 contact twins in gypsum experimentally obtained from calcium carbonate enriched solutions: mineralogical implications for natural gypsum deposits	6
Extending the depth range in energy-dispersive X-ray stress analysis by simultaneous multi-detector data acquisition in equatorial scattering geometry	6
A machine-learning-driven data labeling pipeline for scientific analysis in MLExchange	6
On the magnitude of error in the determination of rotation axes	6
Upgrade of the KWS-2 high-intensity/extended- Q -range SANS diffractometer of JCNS for soft matter and biophysics: in situ	6
Coordinate-based simulation of pair distance distribution functions for small and large molecular assemblies: implementation and applications	6
Nanostructured coherent systems in Ruddlesden–Popper (RP) tetragonal structures: simulation of diffraction patterns for the first term of RP series A	6
Insights into the structural symmetry of YCrO3 from synchrotron X-ray diffraction	6
Simultaneous SANS/FTIR measurement system incorporating the ATR sampling method	6
Automation of Rietveld refinement through machine learning	6
Seismic noise in crystal neutron interferometry	6
Aspherical atom refinements on X-ray data of diverse structures including disordered and covalent organic framework systems: a time–accuracy trade-off	6
Hydrostatic behaviour of highly inert Fomblin and Halocarbon fluids as pressure-transmitting media in high-pressure experiments	6
Small-angle X-ray scattering profile calculation for high-resolution models of biomacromolecules	6
Dynamic catcher for stabilization of high-viscosity extrusion jets	6
Maximally efficient exchange in thin flow cells using density gradients	6
Residual stress depth profiling based on a triaxial stress model: the principal stress gradients in magnetron-sputtered molybdenum films	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
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
Characterization of sub-micrometre-sized voids in fixed human brain tissue using scanning X-ray microdiffraction	6
Benchmarking a modern laboratory-based powder diffraction instrument for in situ studies in transmission geometry	6
DXRD : a user-friendly suite of two- and multiple-beam dynamical X-ray diffraction programs	6
Derivation of the small-angle scattering profile of a target biomacromolecule from a profile deteriorated by aggregates. AUC–SAS	6
Time-resolved high-energy X-ray diffraction studies of ultrathin Ni ferrite films on MgO(001)	6
Subperiodic groups, line groups and their applications	5
Exposure strategies for higher-quality pair distribution function analysis: patching saturated peak intensities	5
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 Colle	5
Ptychographic phase retrieval via a deep-learning-assisted iterative algorithm	5
Synthesizing pseudo-Kossel lines from neutron transmission data. II. Validation with neutron diffraction data	5
LamelODF : a MATLAB-based toolbox for orientation distribution analysis and mapping of lamellar minerals for laboratory and synchrotron X-ray diffractometers	5
Spatz: the time-of-flight neutron reflectometer with vertical sample geometry at the OPAL research reactor	5
Position-independent product increase rate in a shaker mill revealed by position-resolved in situ synchrotron powder X-ray diffraction	5
Extended Q -range small-angle neutron scattering to understand the morphology of proton-exchange membranes: the case of the functionalized syndiotactic-p	5
In situ neutron diffraction to investigate the solid-state synthesis of Ni-rich cathode materials	5
diffpy.mpdf : open-source software for magnetic pair distribution function analysis	5
Pair distribution function analysis of discrete nanomaterials in PDFgui	5
Exploring a nanostructured X-ray optical device for improved spatial resolution in laboratory X-ray diffraction imaging	5
Incorporating coherent multiple scattering into modelling of small- q scattering data	5
DFT2FEFFIT : a density-functional-theory-based structural toolkit to analyze EXAFS spectra	5
Simulation of bent Laue crystals for a high-energy X-ray monochromator with heat load consideration	5
Fourier modal method for calculating neutron scattering from surface-relief and bulk diffraction gratings	5
Integrating machine learning interatomic potentials with hybrid reverse Monte Carlo structure refinements in RMCProfile	5
Determination of crystallographic texture in polycrystalline materials from wavelength-resolved neutron transmission experiments: application to high-symmetry crystals	5
Use of electron backscatter diffraction patterns to determine the crystal lattice. Part 1. Where is the Bragg angle?	5
Use of a confocal optical device for centring a diamond anvil cell in single-crystal X-ray diffraction experiments	5
Adaptively coupled phase retrieval in multi-peak Bragg coherent diffraction imaging	5
Brian H. O'Connor (1940–2024)	5
In situ small-angle X-ray scattering measurement at the Very Small Angle Neutron Scattering Instrument at the China Spallation Neutron Source	5
Upgraded LauePt4 for rapid recognition and fitting of Laue patterns from crystals with unknown orientations	5
Approximate resolution convolution function for fitting a dispersion gap measured on a triple-axis spectrometer	5
Using 2D integral breadth to study plastic relaxation in a quasi-lattice-matched HgCdTe/CdZnTe heterostructure	5
Laboratory X-ray powder micro-diffraction in the research of painted artworks	5
Progress in detection of and correction for low-energy contamination	5
Design of multi-shell nested fully annular quasi-ellipsoidal focusing mirrors for small-angle neutron scattering	5
crystchemlib : a Python library and GUI for analysis of crystal structure datasets	5
Differences in hierarchical structural changes between unoriented P(3HB) and P(3HB- co -3HH) under stretching. Corrigendum	5
Towards real-time analysis of liquid jet alignment in serial femtosecond crystallography	5
Measurable structure factors of dense dispersions containing polydisperse optically inhomogeneous particles	5
A computational approach to predict and enhance the sensitivity of X-ray resonant magnetic reflectometry to the magnetic behavior of deeply buried interfaces	5
Magnetic-lens-generated polarized neutron beam with enhanced intensity and Q resolution for small-angle neutron scattering	5
Elastic behaviour of orientation-correlated grains in multiphase aggregates	5
Automated and real-time structure solution using 3D electron diffraction	5
Synthesizing pseudo-Kossel lines from neutron transmission data. I. An analytical approach for recovering single-crystal orientation	5
Implications of size dispersion on X-ray scattering of crystalline nanoparticles: CeO 2 as a case study	5
Refinement of the uranium dispersion corrections from anomalous diffraction	5
High-pressure intrusion of double salt aqueous solution in pure silica chabazite: searching for cation selectivity	5
A method for pole figure measurements via a dynamic segmented spiral scheme	5
High-resolution 3D grain orientation mapping by inclined scanning 3D X-ray diffraction microscopy	5
Local variations of the piezoelectric properties of an LiNb(1−x)Ta x O3 crystal	5
PyExtal : a Python package for quantitative convergent-beam electron diffraction	5
Scientific Testimony . By Mikkel Gerken. Oxford University Press, 2022. Pp. 320. GBP 65. ISBN 9780198857273.	5
X-ray diffraction imaging of fully packaged n–p–n transistors under accelerated ageing conditions	5
Crystallite orientation and lateral material distribution in transition metal dichalcogenide thin films studied by laboratory GIWAXS	5