Journal of Applied Crystallography

Article	Citations
GPU-accelerated multitiered iterative phasing algorithm for fluctuation X-ray scattering	202
Operando structural investigations of thermoelectric materials	117
Energy-dispersive Laue diffraction analysis of the influence of statherin and histatin on the crystallographic texture during human dental enamel demineralization	114
Automated pipeline processing X-ray diffraction data from dynamic compression experiments on the Extreme Conditions Beamline of PETRA III	104
Niggli reduction and Bravais lattice determination	93
WinXPRO, 3DPlot and TrajPlot computer software: new options for orbital-free quantum crystallography studies	81
X-ray scattering study of GaN nanowires grown on Ti/Al2O3 by molecular beam epitaxy	53
EDP2PDF: a computer program for extracting a pair distribution function from an electron diffraction pattern for the structural analysis of materials	48
Radial spin echo small-angle neutron scattering method: concept and performance	47
Chemical units of binary solid-solution alloys directly derived from short-range-order parameters	46
Form factor of helical structures and twisted fibres	39
IndiumKα radiation from a MetalJet X-ray source: the long way to a successful charge-density investigation	38
Patching-based deep-learning model for the inpainting of Bragg coherent diffraction patterns affected by detector gaps	35
X-ray tensor tomography for small-grained polycrystals with strong texture	31
From solution to structure: empowering inclusive cryo-EM with a pre-characterization pipeline for biological samples	29
Strain-induced density fluctuations in linear low-density polyethylene	26
Free tools for crystallographic symmetry handling and visualization	26
Structural characteristics of Bi2O2CO3 nanosheets synthesized by nano-pulsed discharges in water	26
ProLEED Studio: software for modeling low-energy electron diffraction patterns	24
Structural and electronic properties of Mo-decorated graphene, reduced graphene and reduced graphene oxide: a DFT calculation	21
Brittle fracture studied by ultra-high-speed synchrotron X-ray diffraction imaging	20
Texture of NiGe(Sn) on Ge(100) and its evolution with Sn content	20
Phase retrieval based on a total-variation-regularized Poisson model for X-ray ptychographic imaging of low-contrast objects	19
Measurement of the spin-wave stiffness and energy gap in the magnon spectrum of amorphous ferromagnets by small-angle scattering of polarized neutrons	19
Twinning and homoepitaxy cooperation in the already rich growth morphology of CaCO3 polymorphs. I. Aragonite	19

Refinements for Bragg coherent X-ray diffraction imaging: electron backscatter diffraction alignment and strain field computation	18
HTD2: a single-crystal X-ray diffractometer for combined high-pressure/low-temperature experiments at laboratory scale	18
Fast Radon transforms for high-precision EBSD orientation determination using PyEBSDIndex	17
Experimental setup for high-resolution characterization of crystal optics for coherent X-ray beam applications	17
Hidden and apparent twins in uranyl-oxide minerals agrinierite and rameauite: a demonstration of metric and reticular merohedry	17
Electron diffraction characterization of nanocrystalline materials using a Rietveld-based approach. Part II. Application to microstructural analysis	17
A simple solution to the Rietveld refinement recipe problem	17
Program VUE: analysing distributions of cryo-EM projections using uniform spherical grids	16
Combination of an inject-and-transfer system for serial femtosecond crystallography	16
Multifitting 2: software for reflectometric, off-specular and grazing-incidence small-angle scattering analysis of multilayer nanofilms	16
Rocking-curve imaging of high-quality protein crystals by non-dispersive X-ray optics in the double-crystal configuration	16
Dehydroxylation and structural transition in α-GaOOH investigated by in situ X-ray diffraction	16
Absolute scattering length density profile of liposome bilayers obtained by SAXS combined with GIXOS: a tool to determine model biomembrane structure	16
A spherical harmonics method for processing anisotropic X-ray atomic pair distribution functions	16
Texture-based residual stress analysis of laser powder bed fused Inconel 718 parts	15
Flow-Xl: a new facility for the analysis of crystallization in flow systems	15
Classification and statistical analysis of structural disorder in crystalline materials	15
Simulation and modelling of the detergent corona around the membrane protein MhsT based on SAXS data	14
Probing the out-of-equilibrium dynamics of driven colloids by X-ray photon correlation spectroscopy	14
A comparison of deep-learning-based inpainting techniques for experimental X-ray scattering	14
Co-flow injection for serial crystallography at X-ray free-electron lasers	14
X-ray free-electron laser based dark-field X-ray microscopy: a simulation-based study	14
Phase-contrast neutron imaging compared with wave propagation and McStas simulations	13
Solid–solid phase transformation of aspirin at high pressures and room temperatures	13
Low-dose electron microscopy imaging for beam-sensitive metal–organic frameworks	13
Efficient solution of particle shape functions for the analysis of powder total scattering data	13
A double-walled sapphire single-crystal gas-pressure cell (type III) for in situ neutron diffraction	13
When the difference between incommensurate and commensurate structures becomes elusive: the case of Bi4BO7 X (X = Cl, Br) oxyhalides	12
Two-step GISAXS characterization of NiSi2 nanoplates and Ni nanocrystals embedded in a silicon wafer covered with a silica thin film	12
Finite-element simulation for crystals with surface undulations based on Takagi–Taupin theory	12
The linear phase correction of modulation of intensity emerging from zero effort (MIEZE) with magnetic Wollaston prisms	12
Overview of ParaCell package for indexing in powder diffraction	12
Combining a multi-analyzer stage with a two-dimensional detector for high-resolution powder X-ray diffraction: correcting the angular scale	11
pdCIFplotter: visualizing powder diffraction data in pdCIF format	11
Experimental noise in small-angle scattering can be assessed using the Bayesian indirect Fourier transformation	11
On the dependence of creep-induced dislocation configurations on crystallographic orientation in pure Al and Al–Mg	11
Observation of in-plane shear stress fields in off-axis SiC wafers by birefringence imaging	11
LaueNN: neural-network-based hkl recognition of Laue spots and its application to polycrystalline materials	11
Inferring effective electrostatic interaction of charge-stabilized colloids from scattering using deep learning	11
Classification of diffraction patterns using a convolutional neural network in single-particle-imaging experiments performed at X-ray free-electron lasers	11
Reconstruction algorithms for grain mapping by laboratory X-ray diffraction contrast tomography	10
CRISTAL-ITE: a single-crystal X-ray diffractometer scale model for scientific dissemination	10
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	10
Structure evolution of nanodiamond aggregates: a SANS and USANS study	10
Optimization strategies and artifacts of time-involved small-angle neutron scattering experiments	10
Tangible symmetry elements and space-group models to guide from molecular to solid-state composition	10
Effect of the crystallographic orientation of the surface of single-crystal Si wafers on the endotaxial growth of NiSi2 nanoplates	10
Non-destructive characterization of the spatial variation of γ/γ′ lattice misfit in a single-crystal Ni-based superalloy by energy-resolved neutron imaging	10
DLSIA: Deep Learning for Scientific Image Analysis	10
(U)SAXS characterization of porous microstructure of chert: insights into organic matter preservation	10

Characterization of the CaCO3 calcination process by the Porod invariant behaviour	10
Optimizing experimental design in neutron reflectometry	9
Microstructural changes in building materials after various consolidation treatments studied by small-angle neutron scattering, mercury intrusion porosimetry and scanning electron microscopy	9
Reflectivity spectra as absorption resonant spectra: is it correct?	9
Coherent X-ray diffraction imaging of single particles: background impact on 3D reconstruction	9
Olga Kennard OBE FRS (1924–2023)	9
Optimization of highly oriented pyrolytic graphite applied to neutron crystal optics	9
Quantitative texture analysis at the WAND2 and HIDRA diffractometers	9
Electronic angle focusing for neutron time-of-flight powder diffractometers	9
Ray-tracing analytical absorption correction for X-ray crystallography based on tomographic reconstructions	9
Resonant neutron scattering lengths	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
Dislocation substructures in pure aluminium after creep deformation as studied by electron backscatter diffraction	9
In situ counter-diffusion crystallization and long-term crystal preservation in microfluidic fixed targets for serial crystallography	9
In situ biaxial loading and multi-scale deformation measurements of nanostructured materials at the CoSAXS beamline at MAX IV Laboratory	8
Quality assessment of the wide-angle detection option planned at the high-intensity/extended Q-range SANS diffractometer KWS-2 combining experiments and McStas simulations	8
Symmetry groups of the Batak basketweave patterns	8
An inclined detector geometry for improved X-ray total scattering measurements	8
Performance of the new biological small- and wide-angle X-ray scattering beamline 13A at the Taiwan Photon Source	8
In-plane crystalline anisotropy of bulk β-Ga2O3	8
An extended thermal pressure equation of state for sodium fluoride	8
Sub-second pair distribution function using a broad bandwidth monochromator	8
Insights into the mechanism of high lipid–detergent crystallization of membrane proteins	8
AlphaFold, small-angle X-ray scattering and ensemble modelling: a winning combination for intrinsically disordered proteins	8
Designing a dataset for convolutional neural networks to predict space groups consistent with extinction laws	8
Experimental and simulation study on hydrogen-bond-induced crystallization of spherical ammonium dinitramide	8
Analysis of time-of-flight small-angle neutron scattering data on mesoscopic crystals such as magnetic vortex lattices	7
Thickness independence of antiferroelectric domain characteristic sizes in epitaxial PbZrO3/SrRuO3/SrTiO3 films	7
OPUS: an easy way to push the limits of SANS instruments towards USANS	7
A correction procedure for secondary scattering contributions from windows in small-angle X-ray scattering and ultra-small-angle X-ray scattering	7
Effect of the nitrogen content of sputtering gas during Ni deposition on Ni/Ti periodic multilayers and neutron supermirror performance	7
xrd_simulator: 3D X-ray diffraction simulation software supporting 3D polycrystalline microstructure morphology descriptions	7
Insights into the precipitation kinetics of CaCO3 particles in the presence of polystyrene sulfonate using in situ small-angle X-ray scattering	7
Pair distribution function analysis of nano-object assemblies	7
Robust phase determination in complex solid solutions using diffuse multiple scattering	7
Intensity corrections for grazing-incidence X-ray diffraction of thin films using static area detectors	7
Determination of the average crystallite size and the crystallite size distribution: the envelope function approach EnvACS	7
Geometrical-optics formalism to model contrast in dark-field X-ray microscopy	7
Determination of the degree of crystallinity of polyphenylene sulfide composited with crystalline and non-crystalline fillers by applying the direct derivation method	7
Energy-dispersive X-ray stress analysis under geometric constraints: exploiting the material's inherent anisotropy	7
Representative volume elements of strain/stress fields measured by diffraction techniques	7
Form factor of prismatic particles for small-angle scattering analysis	7
Combining synchrotron X-ray diffraction, mechanistic modeling and machine learning for in situ subsurface temperature quantification during laser melting	7
Local orthorhombic phase in zirconium oxide nanocrystals: insights from X-ray pair distribution function analysis	7
Uniaxial polarization analysis of bulk ferromagnets: theory and first experimental results	7
Determination of the specific surface of a granular porous material by the USAXS–SAXS intensity of a loosely packed powder sample	6
Efficient data reduction for time-of-flight neutron scattering experiments on single crystals	6
Neutron diffraction investigation of copper tellurite glasses with high real-space resolution	6
Quantitative selection of sample structures in small-angle scattering using Bayesian methods	6
Generating random unit cells	6
Escape our Lab: creating an escape room game in the field of materials science and crystallography	6
Novel study on the electron density distribution projection maps calculated via the discrete cosine transform	6
Domain Auto Finder (DAFi) program: the analysis of single-crystal X-ray diffraction data from polycrystalline samples	6
CX-ASAP: a high-throughput tool for the serial refinement and analysis of crystallographic data collected under varying conditions	6
Dislocation contrast on X-ray topographs under weak diffraction conditions	6
Bias caused by a popular weighting scheme	6
PYXIS: an integrated software package for synchrotron micro/nanodiffraction data analysis	6
Determining lattice parameters from two electron diffraction patterns	6
Linearization routines for the parameter space concept to determine crystal structures without Fourier inversion	6
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.	6
Powder-diffraction-based structural comparison for crystal structure prediction without prior indexing	6
Maximally efficient exchange in thin flow cells using density gradients	6
Reconstructing the reflectivity of liquid surfaces from grazing incidence X-ray off-specular scattering data	6
Accessing self-diffusion on nanosecond time and nanometre length scales with minute kinetic resolution	6
ReciPro: free and open-source multipurpose crystallographic software integrating a crystal model database and viewer, diffraction and microscopy simulators, and diffraction data analysis tools	6
Site dependence of the magnetocaloric effect in Mn5−x Fe x Si3	6
A new technical solution to the problem of increasing the resolution of X-ray diffraction methods	6
Specimen-displacement correction for powder X-ray diffraction in Debye–Scherrer geometry with a flat area detector. Erratum	6
A simple gas introduction system for cryogenic powder X-ray diffraction	6
Thermal behavior of römerite over a Mars surface relevant temperature range: single-crystal and powder X-ray crystallography and magnetic properties	6
Duality of spaces and the origin of integral reflection conditions	6
DISEMM: a tool for the investigation of elasto-plastic behaviour on polycrystalline samples using X-ray and neutron diffraction	6
Residual stress depth profiling based on a triaxial stress model: the principal stress gradients in magnetron-sputtered molybdenum films	6
Coordinate-based simulation of pair distance distribution functions for small and large molecular assemblies: implementation and applications	6
Multilevel atomic structural model for interstratified opal materials	6
Derivation of the small-angle scattering profile of a target biomacromolecule from a profile deteriorated by aggregates. AUC–SAS	5
Growing a thriving international community for small-angle scattering through collaboration. Corrigendum	5
101 contact twins in gypsum experimentally obtained from calcium carbonate enriched solutions: mineralogical implications for natural gypsum deposits	5
Pushing the limits of accessible length scales via a modified Porod analysis in small-angle neutron scattering on ordered systems	5
Extracting the morphology of gold bipyramids from small-angle X-ray scattering experiments via form factor modelling	5

Rheo-SAXS study on electrically responsive hydrogels with shear-induced conductive micellar networks for on-demand drug release	5
Optimized signal deduction procedure for the MIEZE spectroscopy technique	5
Small-angle neutron scattering from CuCrZr coupons and components	5
Aspherical atom refinements on X-ray data of diverse structures including disordered and covalent organic framework systems: a time–accuracy trade-off	5
Dynamic catcher for stabilization of high-viscosity extrusion jets	5
On the magnitude of error in the determination of rotation axes	5
Small-angle X-ray scattering in the era of fourth-generation light sources	5
Carles Miravitlles (1942–2023)	5
CyRSoXS: a GPU-accelerated virtual instrument for polarized resonant soft X-ray scattering	5
A machine-learning-driven data labeling pipeline for scientific analysis in MLExchange	5
Characterization of sub-micrometre-sized voids in fixed human brain tissue using scanning X-ray microdiffraction	5
Insights into the structural symmetry of YCrO3 from synchrotron X-ray diffraction	5
3D-printed equipment to decouple (powder) X-ray diffraction sample preparation and measurement	4
Simulation of bent Laue crystals for a high-energy X-ray monochromator with heat load consideration	4
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	4
Laboratory X-ray powder micro-diffraction in the research of painted artworks	4
The effect of transverse wavefront width on specular neutron reflection	4
Integrating machine learning interatomic potentials with hybrid reverse Monte Carlo structure refinements in RMCProfile	4
Long- and short-range order in the Ni52Co2Fe20Ga26 ferromagnetic Heusler alloy	4
The Radon transform as a tool for 3D reciprocal-space mapping of epitaxial microcrystals	4
High-accuracy polarimetric studies on lead germanate single crystals	4
Towards real-time analysis of liquid jet alignment in serial femtosecond crystallography	4
DFT2FEFFIT: a density-functional-theory-based structural toolkit to analyze EXAFS spectra	4
Upgraded LauePt4 for rapid recognition and fitting of Laue patterns from crystals with unknown orientations	4
Spatz: the time-of-flight neutron reflectometer with vertical sample geometry at the OPAL research reactor	4
Use of electron backscatter diffraction patterns to determine the crystal lattice. Part 1. Where is the Bragg angle?	4
Exploiting Friedel pairs to interpret scanning 3DXRD data from complex geological materials	4
Highly effective removal of formaldehyde from aqueous solution using mesoporous ɛ-MnO2 crystals at room temperature	4
Design of multi-shell nested fully annular quasi-ellipsoidal focusing mirrors for small-angle neutron scattering	4
Magnetic Small-Angle Neutron Scattering. A Probe for Mesoscale Magnetism Analysis. By Andreas Michels. Oxford University Press, 2021. Pp. 384. Price (hardback) GBP 80.00. ISBN 9780198855170.	4
Scientific Testimony. By Mikkel Gerken. Oxford University Press, 2022. Pp. 320. GBP 65. ISBN 9780198857273.	4
Time-resolved high-energy X-ray diffraction studies of ultrathin Ni ferrite films on MgO(001)	4
Exploring a nanostructured X-ray optical device for improved spatial resolution in laboratory X-ray diffraction imaging	4
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	4
A method for pole figure measurements via a dynamic segmented spiral scheme	4
Synthesizing pseudo-Kossel lines from neutron transmission data. I. An analytical approach for recovering single-crystal orientation	4
Elastic behaviour of orientation-correlated grains in multiphase aggregates	4
Hydrostatic behaviour of highly inert Fomblin and Halocarbon fluids as pressure-transmitting media in high-pressure experiments	4
Extended Q-range small-angle neutron scattering to understand the morphology of proton-exchange membranes: the case of the functionalized syndiotactic-polystyrene model system	4
In situ small-angle X-ray scattering measurement at the Very Small Angle Neutron Scattering Instrument at the China Spallation Neutron Source	4
MoloVol: an easy-to-use program for analyzing cavities, volumes and surface areas of chemical structures	4
Simultaneous SANS/FTIR measurement system incorporating the ATR sampling method	4
Visualizing lithium ions in the crystal structure of Li3PO4 by in situ neutron diffraction	4
Effective structural unit analysis in hexagonal close-packed alloys – reconstruction of parent β microstructures and crystal orientation post-processing analysis	4
X-ray diffraction imaging of fully packaged n–p–n transistors under accelerated ageing conditions	4
Synthesizing pseudo-Kossel lines from neutron transmission data. II. Validation with neutron diffraction data	4
crystchemlib: a Python library and GUI for analysis of crystal structure datasets	4
Refinement of the uranium dispersion corrections from anomalous diffraction	4
A computational approach to predict and enhance the sensitivity of X-ray resonant magnetic reflectometry to the magnetic behavior of deeply buried interfaces	4
Structure modeling and quantitative X-ray diffraction of C-(A)-S-H	4
Progress in detection of and correction for low-energy contamination	3
Local variations of the piezoelectric properties of an LiNb(1−x)Ta x O3 crystal	3
Use of a confocal optical device for centring a diamond anvil cell in single-crystal X-ray diffraction experiments	3
Polar orientation and extension in a novel crystallographic model for PbTiO3-based perovskites explaining the experimental ferroelectric thermal anomalies	3
propSym: a tool to establish relationships between property constants for material property tensors of any order	3
Stabilizing ferroelectricity in alkaline-earth-metal-based perovskites (ABO3) via A- (Ca2+/Sr2+/Ba2+) and B-site (Ti4+) cati	3
High-resolution 3D grain orientation mapping by inclined scanning 3D X-ray diffraction microscopy	3
Individual dislocation identification in dark-field X-ray microscopy	3
Position-independent product increase rate in a shaker mill revealed by position-resolved in situ synchrotron powder X-ray diffraction	3
Non-invasive nanoscale imaging of protein micro- and nanocrystals for screening crystallization conditions	3
Determination of crystallographic texture in polycrystalline materials from wavelength-resolved neutron transmission experiments: application to high-symmetry crystals	3
The FALCON double-detector Laue diffractometer add-on for grain mapping at POLDI	3
Defocused travelling fringes in a scanning triple-Laue X-ray interferometry setup	3
Measurable structure factors of dense dispersions containing polydisperse optically inhomogeneous particles	3
Gwaihir: Jupyter Notebook graphical user interface for Bragg coherent diffraction imaging	3
Using 2D integral breadth to study plastic relaxation in a quasi-lattice-matched HgCdTe/CdZnTe heterostructure	3
Design research with the use of visual and symmetry analysis in indigenous woven textiles	3
Structure refinement, microstrains and crystallite sizes of Mg-Ni-phyllosilicate nanoscroll powders	3
The RAPTR furnace: a rapid heating and cooling sample furnace for in situ X-ray scattering studies of temperature-induced reactions	3
Non-ambient X-ray and neutron diffraction of novel relaxor ferroelectricxBi2(Zn2/3,Nb1/3)O3–(1 –x)BaTiO3	3
MuMag2022: a software tool for analyzing magnetic field dependent unpolarized small-angle neutron scattering data of bulk ferromagnets	3
Journal of Applied Crystallography welcomes eight new Co-editors	3
Magnetic contrast layers with functional SiO2 coatings for soft-matter studies with polarized neutron reflectometry	3
Implications of size dispersion on X-ray scattering of crystalline nanoparticles: CeO2 as a case study	3
Subperiodic groups, line groups and their applications	3
A multipurpose laboratory diffractometer for operando powder X-ray diffraction investigations of energy materials	3
Fourier modal method for calculating neutron scattering from surface-relief and bulk diffraction gratings	3
Low-background neutron reflectometry from solid/liquid interfaces	3
Evolution of elliptical SAXS patterns in aligned systems	3
In situ neutron diffraction to investigate the solid-state synthesis of Ni-rich cathode materials	3
diffpy.mpdf: open-source software for magnetic pair distribution function analysis	3
Noise reduction and mask removal neural network for X-ray single-particle imaging	3
Calculating temperature-dependent X-ray structure factors of α-quartz with an extensible Python 3 package	3
Preparation of pyrite concentrate powder from the Thackaringa mine for quantitative phase analysis using X-ray diffraction	3
Towards dynamically configured databases for CIFs: the new modulated structures open database at the Bilbao Crystallographic Server	3
Absolute intensity normalization of powder neutron scattering data	3
Pair distribution function analysis of discrete nanomaterials in PDFgui	3
Progressive alignment of crystals: reproducible and efficient assessment of crystal structure similarity	3
High-pressure intrusion of double salt aqueous solution in pure silica chabazite: searching for cation selectivity	3
Crystals in the community and the classroom	3
ConFlat cell foroperandoelectrochemical X-ray studies of lithium-ion battery materials in commercially relevant conditions	3
Non-destructive texture characterization by a robot-arm-driven X-ray diffractometer	3
Ptychographic phase retrieval via a deep-learning-assisted iterative algorithm	3
Unbiased particle conformation extraction from scattering spectra using orthonormal basis expansions	3
SGTools: a suite of tools for processing and analyzing large data sets from in situ X-ray scattering experiments	2