Journal of Applied Crystallography

Article	Citations
GPU-accelerated multitiered iterative phasing algorithm for fluctuation X-ray scattering	196
Operando structural investigations of thermoelectric materials	114
Energy-dispersive Laue diffraction analysis of the influence of statherin and histatin on the crystallographic texture during human dental enamel demineralization	109
Automated pipeline processing X-ray diffraction data from dynamic compression experiments on the Extreme Conditions Beamline of PETRA III	99
Niggli reduction and Bravais lattice determination	90
WinXPRO, 3DPlot and TrajPlot computer software: new options for orbital-free quantum crystallography studies	80
From solution to structure: empowering inclusive cryo-EM with a pre-characterization pipeline for biological samples	48
X-ray scattering study of GaN nanowires grown on Ti/Al2O3 by molecular beam epitaxy	46
EDP2PDF: a computer program for extracting a pair distribution function from an electron diffraction pattern for the structural analysis of materials	44
Radial spin echo small-angle neutron scattering method: concept and performance	43
X-ray tensor tomography for small-grained polycrystals with strong texture	39
Chemical units of binary solid-solution alloys directly derived from short-range-order parameters	36
Form factor of helical structures and twisted fibres	35
Free tools for crystallographic symmetry handling and visualization	31
Strain-induced density fluctuations in linear low-density polyethylene	25
Patching-based deep-learning model for the inpainting of Bragg coherent diffraction patterns affected by detector gaps	25
IndiumKα radiation from a MetalJet X-ray source: the long way to a successful charge-density investigation	25
ProLEED Studio: software for modeling low-energy electron diffraction patterns	24
Structural characteristics of Bi2O2CO3 nanosheets synthesized by nano-pulsed discharges in water	24
Dehydroxylation and structural transition in α-GaOOH investigated by in situ X-ray diffraction	23
Program VUE: analysing distributions of cryo-EM projections using uniform spherical grids	20
Structural and electronic properties of Mo-decorated graphene, reduced graphene and reduced graphene oxide: a DFT calculation	19
Texture-based residual stress analysis of laser powder bed fused Inconel 718 parts	18
Texture of NiGe(Sn) on Ge(100) and its evolution with Sn content	18
Measurement of the spin-wave stiffness and energy gap in the magnon spectrum of amorphous ferromagnets by small-angle scattering of polarized neutrons	18

Multifitting 2: software for reflectometric, off-specular and grazing-incidence small-angle scattering analysis of multilayer nanofilms	18
Twinning and homoepitaxy cooperation in the already rich growth morphology of CaCO3 polymorphs. I. Aragonite	17
HTD2: a single-crystal X-ray diffractometer for combined high-pressure/low-temperature experiments at laboratory scale	16
Electron diffraction characterization of nanocrystalline materials using a Rietveld-based approach. Part II. Application to microstructural analysis	16
Experimental setup for high-resolution characterization of crystal optics for coherent X-ray beam applications	16
Refinements for Bragg coherent X-ray diffraction imaging: electron backscatter diffraction alignment and strain field computation	16
Absolute scattering length density profile of liposome bilayers obtained by SAXS combined with GIXOS: a tool to determine model biomembrane structure	16
Phase retrieval based on a total-variation-regularized Poisson model for X-ray ptychographic imaging of low-contrast objects	16
A simple solution to the Rietveld refinement recipe problem	16
Fast Radon transforms for high-precision EBSD orientation determination using PyEBSDIndex	15
Hidden and apparent twins in uranyl-oxide minerals agrinierite and rameauite: a demonstration of metric and reticular merohedry	15
Rocking-curve imaging of high-quality protein crystals by non-dispersive X-ray optics in the double-crystal configuration	15
Ekkehart Tillmanns (1941–2020)	15
Flow-Xl: a new facility for the analysis of crystallization in flow systems	14
A spherical harmonics method for processing anisotropic X-ray atomic pair distribution functions	14
Combination of an inject-and-transfer system for serial femtosecond crystallography	14
Brittle fracture studied by ultra-high-speed synchrotron X-ray diffraction imaging	14
Probing the out-of-equilibrium dynamics of driven colloids by X-ray photon correlation spectroscopy	13
Inferring effective electrostatic interaction of charge-stabilized colloids from scattering using deep learning	13
Observation of in-plane shear stress fields in off-axis SiC wafers by birefringence imaging	13
Simulation and modelling of the detergent corona around the membrane protein MhsT based on SAXS data	13
X-ray free-electron laser based dark-field X-ray microscopy: a simulation-based study	13
A comparison of deep-learning-based inpainting techniques for experimental X-ray scattering	13
Grazing-incidence X-ray scattering of lamellar thin films. Erratum	12
A double-walled sapphire single-crystal gas-pressure cell (type III) for in situ neutron diffraction	12
Low-dose electron microscopy imaging for beam-sensitive metal–organic frameworks	12
DLSIA: Deep Learning for Scientific Image Analysis	12
Efficient solution of particle shape functions for the analysis of powder total scattering data	12
Phase-contrast neutron imaging compared with wave propagation and McStas simulations	12
pdCIFplotter: visualizing powder diffraction data in pdCIF format	12
When the difference between incommensurate and commensurate structures becomes elusive: the case of Bi4BO7 X (X = Cl, Br) oxyhalides	11
Two-step GISAXS characterization of NiSi2 nanoplates and Ni nanocrystals embedded in a silicon wafer covered with a silica thin film	11
Overview of ParaCell package for indexing in powder diffraction	11
Solid–solid phase transformation of aspirin at high pressures and room temperatures	11
The linear phase correction of modulation of intensity emerging from zero effort (MIEZE) with magnetic Wollaston prisms	11
Finite-element simulation for crystals with surface undulations based on Takagi–Taupin theory	11
Classification of diffraction patterns using a convolutional neural network in single-particle-imaging experiments performed at X-ray free-electron lasers	11
On the dependence of creep-induced dislocation configurations on crystallographic orientation in pure Al and Al–Mg	10
Combining a multi-analyzer stage with a two-dimensional detector for high-resolution powder X-ray diffraction: correcting the angular scale	10
Ray-tracing analytical absorption correction for X-ray crystallography based on tomographic reconstructions	10
Experimental noise in small-angle scattering can be assessed using the Bayesian indirect Fourier transformation	10
CRISTAL-ITE: a single-crystal X-ray diffractometer scale model for scientific dissemination	10
LaueNN: neural-network-based hkl recognition of Laue spots and its application to polycrystalline materials	10
Co-flow injection for serial crystallography at X-ray free-electron lasers	10
Tangible symmetry elements and space-group models to guide from molecular to solid-state composition	10
Resonant neutron scattering lengths	9
Optimization strategies and artifacts of time-involved small-angle neutron scattering experiments	9
Characterization of the CaCO3 calcination process by the Porod invariant behaviour	9
(U)SAXS characterization of porous microstructure of chert: insights into organic matter preservation	9
Effect of the crystallographic orientation of the surface of single-crystal Si wafers on the endotaxial growth of NiSi2 nanoplates	9

Structure evolution of nanodiamond aggregates: a SANS and USANS study	9
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	9
Optimizing experimental design in neutron reflectometry	9
Non-destructive characterization of the spatial variation of γ/γ′ lattice misfit in a single-crystal Ni-based superalloy by energy-resolved neutron imaging	9
An inclined detector geometry for improved X-ray total scattering measurements	8
Optimization of highly oriented pyrolytic graphite applied to neutron crystal optics	8
Coherent X-ray diffraction imaging of single particles: background impact on 3D reconstruction	8
Reflectivity spectra as absorption resonant spectra: is it correct?	8
Reconstruction algorithms for grain mapping by laboratory X-ray diffraction contrast tomography	8
Novel methodology to determine thermal properties of nanoparticles exclusively based on SAXS measurements applied to Bi nanocrystals and nanodroplets in a glass matrix	8
Microstructural changes in building materials after various consolidation treatments studied by small-angle neutron scattering, mercury intrusion porosimetry and scanning electron microscopy	8
Quantitative texture analysis at the WAND2 and HIDRA diffractometers	8
Electronic angle focusing for neutron time-of-flight powder diffractometers	8
Olga Kennard OBE FRS (1924–2023)	8
Dislocation substructures in pure aluminium after creep deformation as studied by electron backscatter diffraction	8
In situ counter-diffusion crystallization and long-term crystal preservation in microfluidic fixed targets for serial crystallography	8
In-plane crystalline anisotropy of bulk β-Ga2O3	8
Energy-dispersive X-ray stress analysis under geometric constraints: exploiting the material's inherent anisotropy	7
Intensity corrections for grazing-incidence X-ray diffraction of thin films using static area detectors	7
Insights into the mechanism of high lipid–detergent crystallization of membrane proteins	7
Sub-second pair distribution function using a broad bandwidth monochromator	7
AlphaFold, small-angle X-ray scattering and ensemble modelling: a winning combination for intrinsically disordered proteins	7
Combining synchrotron X-ray diffraction, mechanistic modeling and machine learning for in situ subsurface temperature quantification during laser melting	7
Thickness independence of antiferroelectric domain characteristic sizes in epitaxial PbZrO3/SrRuO3/SrTiO3 films	7
Analysis of time-of-flight small-angle neutron scattering data on mesoscopic crystals such as magnetic vortex lattices	7
A correction procedure for secondary scattering contributions from windows in small-angle X-ray scattering and ultra-small-angle X-ray scattering	7
Designing a dataset for convolutional neural networks to predict space groups consistent with extinction laws	7
An extended thermal pressure equation of state for sodium fluoride	7
Performance of the new biological small- and wide-angle X-ray scattering beamline 13A at the Taiwan Photon Source	7
Uniaxial polarization analysis of bulk ferromagnets: theory and first experimental results	7
Effect of the nitrogen content of sputtering gas during Ni deposition on Ni/Ti periodic multilayers and neutron supermirror performance	7
Representative volume elements of strain/stress fields measured by diffraction techniques	7
Determination of the degree of crystallinity of polyphenylene sulfide composited with crystalline and non-crystalline fillers by applying the direct derivation method	7
Symmetry groups of the Batak basketweave patterns	7
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	7
In situ biaxial loading and multi-scale deformation measurements of nanostructured materials at the CoSAXS beamline at MAX IV Laboratory	7
Experimental and simulation study on hydrogen-bond-induced crystallization of spherical ammonium dinitramide	7
Insights into the precipitation kinetics of CaCO3 particles in the presence of polystyrene sulfonate using in situ small-angle X-ray scattering	7
Robust phase determination in complex solid solutions using diffuse multiple scattering	7
Pair distribution function analysis of nano-object assemblies	7
Determining lattice parameters from two electron diffraction patterns	6
PYXIS: an integrated software package for synchrotron micro/nanodiffraction data analysis	6
Determination of the specific surface of a granular porous material by the USAXS–SAXS intensity of a loosely packed powder sample	6
A simple gas introduction system for cryogenic powder X-ray diffraction	6
Reconstructing the reflectivity of liquid surfaces from grazing incidence X-ray off-specular scattering data	6
OPUS: an easy way to push the limits of SANS instruments towards USANS	6
Form factor of prismatic particles for small-angle scattering analysis	6
Neutron diffraction investigation of copper tellurite glasses with high real-space resolution	6
Generating random unit cells	6
A new technical solution to the problem of increasing the resolution of X-ray diffraction methods	6
Site dependence of the magnetocaloric effect in Mn5−x Fe x Si3	6
Geometrical-optics formalism to model contrast in dark-field X-ray microscopy	6
xrd_simulator: 3D X-ray diffraction simulation software supporting 3D polycrystalline microstructure morphology descriptions	6
Accessing self-diffusion on nanosecond time and nanometre length scales with minute kinetic resolution	6
Bias caused by a popular weighting scheme	6
Specimen-displacement correction for powder X-ray diffraction in Debye–Scherrer geometry with a flat area detector. Erratum	6
Efficient data reduction for time-of-flight neutron scattering experiments on single crystals	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
Quantitative selection of sample structures in small-angle scattering using Bayesian methods	6
Local orthorhombic phase in zirconium oxide nanocrystals: insights from X-ray pair distribution function analysis	6
Determination of the average crystallite size and the crystallite size distribution: the envelope function approach EnvACS	6
A novel method to obtain integral parameters of the orientation distribution function of textured polycrystals from wavelength-resolved neutron transmission spectra	6
Multilevel atomic structural model for interstratified opal materials	5
CX-ASAP: a high-throughput tool for the serial refinement and analysis of crystallographic data collected under varying conditions	5
Robust surface structure analysis with reliable uncertainty estimation using the exchange Monte Carlo method. Corrigendum	5
Residual stress depth profiling based on a triaxial stress model: the principal stress gradients in magnetron-sputtered molybdenum films	5
Novel study on the electron density distribution projection maps calculated via the discrete cosine transform	5
101 contact twins in gypsum experimentally obtained from calcium carbonate enriched solutions: mineralogical implications for natural gypsum deposits	5
Derivation of the small-angle scattering profile of a target biomacromolecule from a profile deteriorated by aggregates. AUC–SAS	5
Domain Auto Finder (DAFi) program: the analysis of single-crystal X-ray diffraction data from polycrystalline samples	5
Powder-diffraction-based structural comparison for crystal structure prediction without prior indexing	5
ReciPro: free and open-source multipurpose crystallographic software integrating a crystal model database and viewer, diffraction and microscopy simulators, and diffraction data analysis tools	5
DISEMM: a tool for the investigation of elasto-plastic behaviour on polycrystalline samples using X-ray and neutron diffraction	5
Growing a thriving international community for small-angle scattering through collaboration. Corrigendum	5
Carles Miravitlles (1942–2023)	5
Maximally efficient exchange in thin flow cells using density gradients	5
Dislocation contrast on X-ray topographs under weak diffraction conditions	5
Duality of spaces and the origin of integral reflection conditions	5
Escape our Lab: creating an escape room game in the field of materials science and crystallography	5
Coordinate-based simulation of pair distance distribution functions for small and large molecular assemblies: implementation and applications	5

Small-angle neutron scattering from CuCrZr coupons and components	5
Optimized signal deduction procedure for the MIEZE spectroscopy technique	5
Time-resolved high-energy X-ray diffraction studies of ultrathin Ni ferrite films on MgO(001)	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
Exploiting Friedel pairs to interpret scanning 3DXRD data from complex geological materials	4
CyRSoXS: a GPU-accelerated virtual instrument for polarized resonant soft X-ray scattering	4
Effective structural unit analysis in hexagonal close-packed alloys – reconstruction of parent β microstructures and crystal orientation post-processing analysis	4
The effect of transverse wavefront width on specular neutron reflection	4
Towards real-time analysis of liquid jet alignment in serial femtosecond crystallography	4
Use of electron backscatter diffraction patterns to determine the crystal lattice. Part 1. Where is the Bragg angle?	4
A method for pole figure measurements via a dynamic segmented spiral scheme	4
crystchemlib: a Python library and GUI for analysis of crystal structure datasets	4
Simultaneous SANS/FTIR measurement system incorporating the ATR sampling method	4
3D-printed equipment to decouple (powder) X-ray diffraction sample preparation and measurement	4
Extracting the morphology of gold bipyramids from small-angle X-ray scattering experiments via form factor modelling	4
Hydrostatic behaviour of highly inert Fomblin and Halocarbon fluids as pressure-transmitting media in high-pressure experiments	4
Rheo-SAXS study on electrically responsive hydrogels with shear-induced conductive micellar networks for on-demand drug release	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
Small-angle X-ray scattering in the era of fourth-generation light sources	4
Highly effective removal of formaldehyde from aqueous solution using mesoporous ɛ-MnO2 crystals at room temperature	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
Synthesizing pseudo-Kossel lines from neutron transmission data. I. An analytical approach for recovering single-crystal orientation	4
In situ small-angle X-ray scattering measurement at the Very Small Angle Neutron Scattering Instrument at the China Spallation Neutron Source	4
High-accuracy polarimetric studies on lead germanate single crystals	4
Long- and short-range order in the Ni52Co2Fe20Ga26 ferromagnetic Heusler alloy	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
On the magnitude of error in the determination of rotation axes	4
Characterization of sub-micrometre-sized voids in fixed human brain tissue using scanning X-ray microdiffraction	4
Pushing the limits of accessible length scales via a modified Porod analysis in small-angle neutron scattering on ordered systems	4
Aspherical atom refinements on X-ray data of diverse structures including disordered and covalent organic framework systems: a time–accuracy trade-off	4
Insights into the structural symmetry of YCrO3 from synchrotron X-ray diffraction	4
Dynamic catcher for stabilization of high-viscosity extrusion jets	4
The Radon transform as a tool for 3D reciprocal-space mapping of epitaxial microcrystals	4
Synthesizing pseudo-Kossel lines from neutron transmission data. II. Validation with neutron diffraction data	4
Simulation of bent Laue crystals for a high-energy X-ray monochromator with heat load consideration	4
Spatz: the time-of-flight neutron reflectometer with vertical sample geometry at the OPAL research reactor	4
Investigation of precision, accuracy and confidence of X-ray diffraction for determining crystallite size in nanopowders	4