Journal of Applied Crystallography

(The TQCC of Journal of Applied Crystallography is 5. The table below lists those papers that are above that threshold based on CrossRef citation counts [max. 250 papers]. The publications cover those that have been published in the past four years, i.e., from 2020-07-01 to 2024-07-01.)
CrystalExplorer: a program for Hirshfeld surface analysis, visualization and quantitative analysis of molecular crystals2003
ATSAS 3.0: expanded functionality and new tools for small-angle scattering data analysis589
Validation of the Crystallography Open Database using the Crystallographic Information Framework211
Parent grain reconstruction from partially or fully transformed microstructures in MTEX133
GenX 3: the latest generation of an established tool62
BioSAXS on the SWING beamline at Synchrotron SOLEIL56
ReciPro: free and open-source multipurpose crystallographic software integrating a crystal model database and viewer, diffraction and microscopy simulators, and diffraction data analysis tools56
MoloVol: an easy-to-use program for analyzing cavities, volumes and surface areas of chemical structures55
Performance of the time-resolved ultra-small-angle X-ray scattering beamline with the Extremely Brilliant Source54
PyNX: high-performance computing toolkit for coherent X-ray imaging based on operators40
PyCrystalField: software for calculation, analysis and fitting of crystal electric field Hamiltonians37
Assessment of structure factors for analysis of small-angle scattering data from desired or undesired aggregates31
The very small angle neutron scattering instrument at the National Institute of Standards and Technology31
A high-flux automated laboratory small-angle X-ray scattering instrument optimized for solution scattering31
PtyNAMi: ptychographic nano-analytical microscope29
Domain Auto Finder (DAFi) program: the analysis of single-crystal X-ray diffraction data from polycrystalline samples28
Small-angle scattering for beginners27
The XBI BioLab for life science experiments at the European XFEL26
High-pressure small-angle X-ray scattering cell for biological solutions and soft materials26
Illustrated formalisms for total scattering data: a guide for new practitioners25
crystIT: complexity and configurational entropy of crystal structures via information theory25
Viscous-medium-based crystal support in a sample holder for fixed-target serial femtosecond crystallography23
Rapid screening of in cellulo grown protein crystals via a small-angle X-ray scattering/X-ray powder diffraction synergistic approach23
MrPIXEL: automated execution of Pixel calculations via the Mercury interface22
Updates in SASfit for fitting analytical expressions and numerical models to small-angle scattering patterns22
Symmetry and chirality in crystals22
Validation of non-negative matrix factorization for rapid assessment of large sets of atomic pair distribution function data22
Restoring structural parameters of lipid mixtures from small-angle X-ray scattering data21
Performance of the new biological small- and wide-angle X-ray scattering beamline 13A at the Taiwan Photon Source20
Graphical reduction and analysis small-angle neutron scattering program: GRASP18
Density-based clustering of crystal (mis)orientations and the orix Python library18
Demonstration of electron diffraction from membrane protein crystals grown in a lipidic mesophase after lamella preparation by focused ion beam milling at cryogenic temperatures18
On the structural formula of smectites: a review and new data on the influence of exchangeable cations18
Characterizing dislocation loops in irradiated polycrystalline Zr alloys by X-ray line profile analysis of powder diffraction patterns with satellites18
Quantifying the robustness of the neutron reflectometry technique for structural characterization of polymer brushes18
Experimental noise in small-angle scattering can be assessed using the Bayesian indirect Fourier transformation17
Instrumentation and experimental procedures for robust collection of X-ray diffraction data from protein crystals across physiological temperatures16
InsteaDMatic: towards cross-platform automated continuous rotation electron diffraction16
reciprocalspaceship: a Python library for crystallographic data analysis16
Upscaling X-ray nanoimaging to macroscopic specimens16
Automated prediction of lattice parameters from X-ray powder diffraction patterns15
New capabilities for enhancement of RMCProfile: instrumental profiles with arbitrary peak shapes for structural refinements using the reverse Monte Carlo method15
SGTools: a suite of tools for processing and analyzing large data sets from in situ X-ray scattering experiments15
µDrop: a system for high-throughput small-angle X-ray scattering measurements of microlitre samples15
SAXSDOG: open software for real-time azimuthal integration of 2D scattering images15
DLSR: a solution to the parallax artefact in X-ray diffraction computed tomography data15
Automated reconstruction of parent austenite phase based on the optimum orientation relationship14
Co-flow injection for serial crystallography at X-ray free-electron lasers14
Implementation of a self-consistent slab model of bilayer structure in the SasView suite14
Combining a multi-analyzer stage with a two-dimensional detector for high-resolution powder X-ray diffraction: correcting the angular scale14
Pulse-to-pulse wavefront sensing at free-electron lasers using ptychography14
Ptychographic X-ray speckle tracking with multi-layer Laue lens systems14
Data reduction for serial crystallography using a robust peak finder13
Stable sample delivery in a viscous medium via a polyimide-based single-channel microfluidic chip for serial crystallography13
Structure determination of organic compounds by a fit to the pair distribution function from scratch without prior indexing12
The advanced treatment of hydrogen bonding in quantum crystallography12
Crystallographic analysis of the lattice metric (CALM) from single electron backscatter diffraction or transmission Kikuchi diffraction patterns12
Intragranular strain estimation in far-field scanning X-ray diffraction using a Gaussian process12
Geometrical-optics formalism to model contrast in dark-field X-ray microscopy12
Optimizing laboratory X-ray diffraction contrast tomography for grain structure characterization of pure iron12
Combination of an inject-and-transfer system for serial femtosecond crystallography12
WinXPRO, 3DPlot and TrajPlot computer software: new options for orbital-free quantum crystallography studies11
Temperature evolution of Fe–27Ga structure: comparison of in situ X-ray and neutron diffraction studies11
MATSAS: a small-angle scattering computing tool for porous systems11
Efficiency enhancement in scintillation detectors by changing the valence-band electron density and crystal structure of the scintillation material11
Dislocation contrast on X-ray topographs under weak diffraction conditions11
New sample stage for characterizing radioactive materials by X-ray powder diffraction: application on five actinide dioxides ThO2, UO2, NpO2, PuO2 and AmO11
Neutron diffraction measurements of weld residual stresses in three-pass slot weld (Alloy 600/82) and assessment of the measurement uncertainty11
New method to measure domain-wall motion contribution to piezoelectricity: the case of PbZr0.65Ti0.35O3 ferroelectric11
GIDInd: an automated indexing software for grazing-incidence X-ray diffraction data11
Polynator: a tool to identify and quantitatively evaluate polyhedra and other shapes in crystal structures11
Combined specular and off-specular reflectometry: elucidating the complex structure of soft buried interfaces11
Multiple epitaxial lateral overgrowth of GaN thin films using a patterned graphene mask by metal organic chemical vapor deposition10
ipyChord: a package for evaluating small-angle X-ray scattering data of fiber symmetry10
lamaGOET: an interface for quantum crystallography10
Spatz: the time-of-flight neutron reflectometer with vertical sample geometry at the OPAL research reactor10
Resolving pseudosymmetry in tetragonal ZrO2 using electron backscatter diffraction with a modified dictionary indexing approach10
Neural network analysis of neutron and X-ray reflectivity data: automated analysis using mlreflect, experimental errors and feature engineering10
Effect of 2,4-dinitrophenol dye doping on tristhioureazinc(II) sulfate single crystals: a potential nonlinear optical material10
Signature of antiphase boundaries in iron oxide nanoparticles10
Multiple scattering and resolution effects in small-angle neutron scattering experiments calculated and corrected by the software package MuScatt10
Comparison and evaluation of pair distribution functions, using a similarity measure based on cross-correlation functions9
Percus–Yevick structure factors made simple9
XtalCAMP: a comprehensive program for the analysis and visualization of scanning Laue X-ray micro-/nanodiffraction data9
Machine learning for scattering data: strategies, perspectives and applications to surface scattering9
The effect of polydispersity, shape fluctuations and curvature on small unilamellar vesicle small-angle X-ray scattering curves9
Data reduction for X-ray serial crystallography using machine learning9
Design and use of a sapphire single-crystal gas-pressure cell forin situneutron powder diffraction9
High-resolution 3D X-ray diffraction microscopy: 3D mapping of deformed metal microstructures9
Upgrade of the small-angle neutron scattering diffractometer SANS-J at JRR-39
Localization and steric effect of the lone electron pair of the tellurium Te4+cation and other cations of thep-block elements. A systematic study9
Quick and robust PDF data acquisition using a laboratory single-crystal X-ray diffractometer for study of polynuclear lanthanide complexes in solid form and in solution9
On the determination of residual stresses in additively manufactured lattice structures9
LaueNN: neural-network-based hkl recognition of Laue spots and its application to polycrystalline materials9
Refinements on electron diffraction data of β-glycine in MoPro: a quest for an improved structure model9
First ptychographic X-ray computed tomography experiment on the NanoMAX beamline9
Stochastic atomic modeling and optimization with fullrmc9
Small-angle X-ray scattering as a multifaceted tool for structural characterization of covalent organic frameworks9
Dislocation substructures in pure aluminium after creep deformation as studied by electron backscatter diffraction8
Predicting the available work from deformation-induced α′′ martensite formation in metastable β Ti alloys8
The anisotropy in the optical constants of quartz crystals for soft X-rays8
Symmetry-adapted pair distribution function analysis (SAPA): a novel approach to evaluating lattice dynamics and local distortions from total scattering data8
The effect of data quality and model parameters on the quantitative phase analysis of X-ray diffraction data by the Rietveld method8
In situ growth of an ethyl p-hydroxybenzoate single crystal by the vertical Bridgman technique: a potential nonlinear optical material for third-harmonic generation8
pyRS: a user-friendly package for the reduction and analysis of neutron diffraction data measured at the High Intensity Diffractometer for Residual Stress Analysis8
A comparison of deep-learning-based inpainting techniques for experimental X-ray scattering8
Polarization analysis for small-angle neutron scattering with a 3He spin filter at a pulsed neutron source8
Nanoscale twinning in Fe–Mn–Al–Ni martensite: a backscatter Kikuchi diffraction study8
BFIP: an online tool to calculate the best fitted idealized polyhedron8
pdCIFplotter: visualizing powder diffraction data in pdCIF format8
Euphonic: inelastic neutron scattering simulations from force constants and visualization tools for phonon properties8
Insights into a dual-phase steel microstructure using EBSD and image-processing-based workflow8
Polymorphism and structure formation in copper phthalocyanine thin films7
Advice on describing Bayesian analysis of neutron and X-ray reflectometry7
High-pressure sapphire capillary cell for synchrotron single-crystal X-ray diffraction measurements to 1500 bar7
Improving data quality for three-dimensional electron diffraction by a post-column energy filter and a new crystal tracking method7
A multivariate grain size and orientation distribution function: derivation from electron backscatter diffraction data and applications7
`Pink'-beam X-ray powder diffraction profile and its use in Rietveld refinement7
Morphology control of laser-induced dandelion-like crystals of sodium acetate through the addition of acidic polymers7
A capillary-based microfluidic device enables primary high-throughput room-temperature crystallographic screening7
Classification of diffraction patterns using a convolutional neural network in single-particle-imaging experiments performed at X-ray free-electron lasers7
Anisotropic thermal expansion of the acetylene–ammonia co-crystal under Titan's conditions7
Strain relaxation in InGaN/GaN epilayers by formation of V-pit defects studied by SEM, XRD and numerical simulations7
Specimen-displacement correction for powder X-ray diffraction in Debye–Scherrer geometry with a flat area detector7
Expanding the family of mineral-like anhydrous alkali copper sulfate framework structures: new phases, topological analysis and evaluation of ion migration potentialities7
Identification of grown-in dislocations in protein crystals by digital X-ray topography7
Noise reduction and mask removal neural network for X-ray single-particle imaging7
Observation of in-plane shear stress fields in off-axis SiC wafers by birefringence imaging7
Nanoscale imaging of shale fragments with coherent X-ray diffraction7
Determining the maximum information gain and optimizing experimental design in neutron reflectometry using the Fisher information7
X-ray methods for strain energy evaluation of dislocated crystals7
Evolution of the analytical scattering model of live Escherichia coli7
A novel method to obtain integral parameters of the orientation distribution function of textured polycrystals from wavelength-resolved neutron transmission spectra7
Small-angle neutron scattering by spatially inhomogeneous ferromagnets with a nonzero average uniaxial anisotropy7
Fast reconstruction tools for ptychography at Sirius, the fourth-generation Brazilian synchrotron6
QUANTAS: a Python software for the analysis of thermodynamics and elastic behavior of solids fromab initioquantum mechanical simulations and experimental data6
Structure modeling and quantitative X-ray diffraction of C-(A)-S-H6
rmc-discord: reverse Monte Carlo refinement of diffuse scattering and correlated disorder from single crystals6
Quantitative powder diffraction using a (2 + 3) surface diffractometer and an area detector6
Diffusion-controlled and `diffusionless' crystal growth: relation between liquid dynamics and growth kinetics of griseofulvin6
Tomographic X-ray scattering based on invariant reconstruction: analysis of the 3D nanostructure of bovine bone6
Pressure cells for in situ neutron total scattering: time and real-space resolution during deuterium absorption6
Faster and lower-dose X-ray reflectivity measurements enabled by physics-informed modeling and artificial intelligence co-refinement6
Automated matching of two-time X-ray photon correlation maps from phase-separating proteins with Cahn–Hilliard-type simulations using auto-encoder networks6
ASAXS measurements on ferritin and apoferritin at the bioSAXS beamline P12 (PETRA III, DESY)6
Influence of surface relaxation on the contrast of threading edge dislocations in synchrotron X-ray topographs under the condition of g · b = 0 and g · b × l = 06
A reactor for time-resolved X-ray studies of nucleation and growth during solvothermal synthesis6
A mixing-flow reactor for time-resolved reaction measurements distributed in space6
Machine-learning-assisted automation of single-crystal neutron diffraction6
A simulational study of the indirect-geometry neutron spectrometer BIFROST at the European Spallation Source, from neutron source position to detector position6
In situ wide-angle X-ray scattering study on the change of microcrystalline structure in Jincheng anthracite during high-temperature carbonization6
Aspherical atom refinements on X-ray data of diverse structures including disordered and covalent organic framework systems: a time–accuracy trade-off6
Bragg coherent diffraction imaging with the CITIUS charge-integrating detector6
Comment on the article Symmetry and chirality in crystals6
Structure refinement, microstrains and crystallite sizes of Mg-Ni-phyllosilicate nanoscroll powders6
Teaching periodicity and aperiodicity using 3D-printed tiles and polyhedra6
anaklasis: a compact software package for model-based analysis of specular neutron and X-ray reflectometry data sets6
Numerically stable form factor of any polygon and polyhedron6
An electric field cell for performing in situ single-crystal synchrotron X-ray diffraction6
Effective structural unit analysis in hexagonal close-packed alloys – reconstruction of parent β microstructures and crystal orientation post-processing analysis6
X-ray free-electron laser based dark-field X-ray microscopy: a simulation-based study6
Application of precise neutron focusing mirrors for neutron reflectometry: latest results and future prospects6
Probabilistic parameter estimation using a Gaussian mixture density network: application to X-ray reflectivity data curve fitting6
In situ study of the preoxidation of polyacrylonitrile fibers6
Operando structural investigations of thermoelectric materials6
AlphaFold-predicted protein structures and small-angle X-ray scattering: insights from an extended examination of selected data in the Small-Angle Scattering Biological Data Bank6
A new model to describe small-angle neutron scattering from foams6
Refinements in phase fraction determination of textured alloys from transmission diffraction data5
Grazing-incidence X-ray diffraction tomography for characterizing organic thin films5
Experimental and simulation study on hydrogen-bond-induced crystallization of spherical ammonium dinitramide5
Small-angle X-ray scattering in the era of fourth-generation light sources5
Small-angle X-ray scattering: characterization of cubic Au nanoparticles using Debye's scattering formula5
Mitigating background caused by extraneous scattering in small-angle neutron scattering instrument design5
Neutron interference from a split-crystal interferometer5
Temperature dependence in Bragg edge neutron transmission measurements5
Evaluation of sample cell materials for aqueous solutions used in quasi-elastic neutron scattering measurements5
Visualizing lithium ions in the crystal structure of Li3PO4 by in situ neutron diffraction5
Concepts for nondestructive and depth-resolved X-ray residual stress analysis in the near-surface region of nearly single crystalline materials with mosaic structure5
Revisiting the structures and phase transitions of Ba2NaNb5O155
Small-angle neutron scattering study of mesoscale magnetic disordering and skyrmion phase suppression in the frustrated chiral magnet Co6.75Zn6.75Mn6.55
Recovering local structure information from high-pressure total scattering experiments5
Combined angular and energy dispersive diffraction: optimized data acquisition, normalization and reduction5
Laboratory time-resolved X-ray diffractometry for in situ studies of crystalline materials under uniaxial compression and vibration5
X-ray characterization of physical-vapor-transport-grown bulk AlN single crystals5
Mix-and-extrude: high-viscosity sample injection towards time-resolved protein crystallography5
A multipurpose laboratory diffractometer for operando powder X-ray diffraction investigations of energy materials5
Laue X-ray diffraction studies of the structural perfection of Al-doped thermomigration channels in silicon5
Multiscale magnetization in cobalt-doped ferrite nanocubes5
Describing small-angle scattering profiles by a limited set of intensities5
speckle-tracking: a software suite for ptychographic X-ray speckle tracking5
Energy-dispersive X-ray micro Laue diffraction on a bent gold nanowire5
The effect of transverse wavefront width on specular neutron reflection5
Hierarchical synchrotron diffraction and imaging study of the calcium sulfate hemihydrate–gypsum transformation5
Ce-exchange capacity of zeolite L in different cationic forms: a structural investigation5
Ptychography at the Linac Coherent Light Source in a parasitic geometry5
Experimental setup for high-resolution characterization of crystal optics for coherent X-ray beam applications5
An inclined detector geometry for improved X-ray total scattering measurements5
Computational diffraction reveals long-range strains, distortions and disorder in molecular dynamics simulations of irradiated single crystals5
The Scatman: an approximate method for fast wide-angle scattering simulations5
Bragg coherent diffraction imaging of single 20 nm Pt particles at the ID01-EBS beamline of ESRF5
Quantitative analysis of dislocations in 4H-SiC wafers using synchrotron X-ray topography with ultra-high angular resolution5
The crystal structure and temperature dependence of the elpasolite Tl2LiYCl65
Anisotropy factors in small-angle scattering for dilute rigid-rod suspensions5