OOIR: Observatory of International Research

Papers

(The median citation count of Journal of Applied Crystallography is 2. 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 2021-11-01 to 2025-11-01.)

Article	Citations
Energy-dispersive Laue diffraction analysis of the influence of statherin and histatin on the crystallographic texture during human dental enamel demineralization	232
From solution to structure: empowering inclusive cryo-EM with a pre-characterization pipeline for biological samples	152
Strain-induced density fluctuations in linear low-density polyethylene	148
Pydidas: a tool for automated X-ray diffraction data analysis	127
Chemical units of binary solid-solution alloys directly derived from short-range-order parameters	115
WinXPRO, 3DPlot and TrajPlot computer software: new options for orbital-free quantum crystallography studies	89
Patching-based deep-learning model for the inpainting of Bragg coherent diffraction patterns affected by detector gaps	84
Radial spin echo small-angle neutron scattering method: concept and performance	72
EDP2PDF: a computer program for extracting a pair distribution function from an electron diffraction pattern for the structural analysis of materials	59
Form factor of helical structures and twisted fibres	57
Automated pipeline processing X-ray diffraction data from dynamic compression experiments on the Extreme Conditions Beamline of PETRA III	51
Free tools for crystallographic symmetry handling and visualization	50
X-ray scattering study of GaN nanowires grown on Ti/Al₂O₃ by molecular beam epitaxy	40
Indium Kα radiation from a MetalJet X-ray source: the long way to a successful charge-density investigation	38
Solving disorder in (3D) real space: a comparative study of the three-dimensional difference pair distribution function and atomic resolution holography reconstructions	33
Niggli reduction and Bravais lattice determination	31
X-ray tensor tomography for small-grained polycrystals with strong texture	29
Structural characteristics of Bi₂O₂CO₃ nanosheets synthesized by nano-pulsed discharges in water	26
Structural and electronic properties of Mo-decorated graphene, reduced graphene and reduced graphene oxide: a DFT calculation	25
Measurement of the spin-wave stiffness and energy gap in the magnon spectrum of amorphous ferromagnets by small-angle scattering of polarized neutrons	24
HTD2: a single-crystal X-ray diffractometer for combined high-pressure/low-temperature experiments at laboratory scale	23
Electron diffraction characterization of nanocrystalline materials using a Rietveld-based approach. Part II. Application to microstructural analysis	22
Experimental setup for high-resolution characterization of crystal optics for coherent X-ray beam applications	22
Program VUE: analysing distributions of cryo-EM projections using uniform spherical grids	22
Multifitting 2: software for reflectometric, off-specular and grazing-incidence small-angle scattering analysis of multilayer nanofilms	21

Hidden and apparent twins in uranyl-oxide minerals agrinierite and rameauite: a demonstration of metric and reticular merohedry	21
A spherical harmonics method for processing anisotropic X-ray atomic pair distribution functions	20
Combination of an inject-and-transfer system for serial femtosecond crystallography	20
Dehydroxylation and structural transition in α-GaOOH investigated by in situ X-ray diffraction	19
Refinements for Bragg coherent X-ray diffraction imaging: electron backscatter diffraction alignment and strain field computation	19
Rocking-curve imaging of high-quality protein crystals by non-dispersive X-ray optics in the double-crystal configuration	18
Absolute scattering length density profile of liposome bilayers obtained by SAXS combined with GIXOS: a tool to determine model biomembrane structure	18
A simple solution to the Rietveld refinement recipe problem	18
Phase retrieval based on a total-variation-regularized Poisson model for X-ray ptychographic imaging of low-contrast objects	17
PRINSAS 2.0: a Python-based graphical user interface tool for fitting polydisperse spherical pore models in small-angle scattering analysis of porous materials	17
ProLEED Studio: software for modeling low-energy electron diffraction patterns	17
Fast Radon transforms for high-precision EBSD orientation determination using PyEBSDIndex	17
Classification and statistical analysis of structural disorder in crystalline materials	16
Thermal expansion of LaB₆ from 298 to 998 K	16
Brittle fracture studied by ultra-high-speed synchrotron X-ray diffraction imaging	16
Twinning and homoepitaxy cooperation in the already rich growth morphology of CaCO₃ polymorphs. I. Aragonite	16
Simulation and modelling of the detergent corona around the membrane protein MhsT based on SAXS data	16
Texture-based residual stress analysis of laser powder bed fused Inconel 718 parts	16
When the difference between incommensurate and commensurate structures becomes elusive: the case of Bi₄BO₇ X (X = Cl, Br) oxyhalides	15
A comparison of deep-learning-based inpainting techniques for experimental X-ray scattering	15
Inferring effective electrostatic interaction of charge-stabilized colloids from scattering using deep learning	15
Probing the out-of-equilibrium dynamics of driven colloids by X-ray photon correlation spectroscopy	15
LaueNN: neural-network-based hkl recognition of Laue spots and its application to polycrystalline materials	15
DLSIA: Deep Learning for Scientific Image Analysis	15
Solid–solid phase transformation of aspirin at high pressures and room temperatures	15
A double-walled sapphire single-crystal gas-pressure cell (type III) for in situ neutron diffraction	14
Efficient solution of particle shape functions for the analysis of powder total scattering data	14
Phase-contrast neutron imaging compared with wave propagation and McStas simulations	14
X-ray free-electron laser based dark-field X-ray microscopy: a simulation-based study	14
Overview of ParaCell package for indexing in powder diffraction	13
Low-dose electron microscopy imaging for beam-sensitive metal–organic frameworks	13
Line profile analysis of energy-scanned Laue microdiffraction peaks using the modified Williamson–Hall and modified Warren–Averbach methods	12
The linear phase correction of modulation of intensity emerging from zero effort (MIEZE) with magnetic Wollaston prisms	12
Model for small-angle scattering analysis of membranes with protein-like inclusions	12
Two-step GISAXS characterization of NiSi₂ nanoplates and Ni nanocrystals embedded in a silicon wafer covered with a silica thin film	12
pdCIFplotter: visualizing powder diffraction data in pdCIF format	12
Flow-Xl: a new facility for the analysis of crystallization in flow systems	12
Finite-element simulation for crystals with surface undulations based on Takagi–Taupin theory	12
Observation of in-plane shear stress fields in off-axis SiC wafers by birefringence imaging	12
Classification of diffraction patterns using a convolutional neural network in single-particle-imaging experiments performed at X-ray free-electron lasers	12
Co-flow injection for serial crystallography at X-ray free-electron lasers	11
Optimization strategies and artifacts of time-involved small-angle neutron scattering experiments	11
On the dependence of creep-induced dislocation configurations on crystallographic orientation in pure Al and Al–Mg	11
Effect of the crystallographic orientation of the surface of single-crystal Si wafers on the endotaxial growth of NiSi₂ nanoplates	11
CRISTAL-ITE: a single-crystal X-ray diffractometer scale model for scientific dissemination	11
Tangible symmetry elements and space-group models to guide from molecular to solid-state composition	11
Electronic angle focusing for neutron time-of-flight powder diffractometers	10
Optimizing experimental design in neutron reflectometry	10
Quantitative texture analysis at the WAND² and HIDRA diffractometers	10
Resonant neutron scattering lengths	10

Reconstruction algorithms for grain mapping by laboratory X-ray diffraction contrast tomography	10
(U)SAXS characterization of porous microstructure of chert: insights into organic matter preservation	10
Microstructural changes in building materials after various consolidation treatments studied by small-angle neutron scattering, mercury intrusion porosimetry and scanning electron microscopy	10
Olga Kennard OBE FRS (1924–2023)	10
Optimization of highly oriented pyrolytic graphite applied to neutron crystal optics	10
Quantifying dispersity in size and shape of nanoparticles from small-angle scattering data using machine learning based CREASE	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
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
An extended thermal pressure equation of state for sodium fluoride	10
Structure evolution of nanodiamond aggregates: a SANS and USANS study	10
Reflectivity spectra as absorption resonant spectra: is it correct?	10
Ray-tracing analytical absorption correction for X-ray crystallography based on tomographic reconstructions	10
Kinetics of light-induced mesophase transitions in azobenzene amphiphiles containing lyotropic liquid crystals	10
Principal component analysis luminescence thermometry of Ce³⁺ – case study of BaF₂:Ce³⁺ single crystals	10
Coherent X-ray diffraction imaging of single particles: background impact on 3D reconstruction	10
Novel methodology to determine thermal properties of nanoparticles exclusively based on SAXS measurements applied to Bi nanocrystals and nanodroplets in a glass matrix	9
Insights into the mechanism of high lipid–detergent crystallization of membrane proteins	9
Designing a dataset for convolutional neural networks to predict space groups consistent with extinction laws	9
Performance of the new biological small- and wide-angle X-ray scattering beamline 13A at the Taiwan Photon Source	9
In situ counter-diffusion crystallization and long-term crystal preservation in microfluidic fixed targets for serial crystallography	9
An inclined detector geometry for improved X-ray total scattering measurements	9
AlphaFold, small-angle X-ray scattering and ensemble modelling: a winning combination for intrinsically disordered proteins	9
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	9
Uniaxial polarization analysis of bulk ferromagnets: theory and first experimental results	9
In situ biaxial loading and multi-scale deformation measurements of nanostructured materials at the CoSAXS beamline at MAX IV Laboratory	9
Three-point bending behavior of individual ZnO nanowires studied by in situ Laue microdiffraction	9
Dislocation substructures in pure aluminium after creep deformation as studied by electron backscatter diffraction	9
Experimental and simulation study on hydrogen-bond-induced crystallization of spherical ammonium dinitramide	9
Pair distribution function analysis of nano-object assemblies	8
A correction procedure for secondary scattering contributions from windows in small-angle X-ray scattering and ultra-small-angle X-ray scattering	8
Effect of the nitrogen content of sputtering gas during Ni deposition on Ni/Ti periodic multilayers and neutron supermirror performance	8
Representative volume elements of strain/stress fields measured by diffraction techniques	8
Sub-second pair distribution function using a broad bandwidth monochromator	8
Analysis of time-of-flight small-angle neutron scattering data on mesoscopic crystals such as magnetic vortex lattices	8
Energy-dispersive X-ray stress analysis under geometric constraints: exploiting the material's inherent anisotropy	8
Robust phase determination in complex solid solutions using diffuse multiple scattering	8
Combining synchrotron X-ray diffraction, mechanistic modeling and machine learning for in situ subsurface temperature quantification during laser melting	8
Intensity corrections for grazing-incidence X-ray diffraction of thin films using static area detectors	8
Linearization routines for the parameter space concept to determine crystal structures without Fourier inversion	8
Insights into the precipitation kinetics of CaCO₃ particles in the presence of polystyrene sulfonate using in situ small-angle X-ray scattering	8
Thickness independence of antiferroelectric domain characteristic sizes in epitaxial PbZrO₃/SrRuO₃/SrTiO₃ films	8
OPUS: an easy way to push the limits of SANS instruments towards USANS	8
xrd_simulator: 3D X-ray diffraction simulation software supporting 3D polycrystalline microstructure morphology descriptions	8
Determination of the degree of crystallinity of polyphenylene sulfide composited with crystalline and non-crystalline fillers by applying the direct derivation method	8
Symmetry groups of the Batak basketweave patterns	8
Site dependence of the magnetocaloric effect in Mn_5−xFe_xSi₃	7
Accessing self-diffusion on nanosecond time and nanometre length scales with minute kinetic resolution	7
Generating random unit cells	7
Determination of the average crystallite size and the crystallite size distribution: the envelope function approach EnvACS	7
Thermal behavior of römerite over a Mars surface relevant temperature range: single-crystal and powder X-ray crystallography and magnetic properties	7
PYXIS: an integrated software package for synchrotron micro/nanodiffraction data analysis	7
Duality of spaces and the origin of integral reflection conditions	7
Physics-informed machine learning analysis for nanoscale grain mapping by synchrotron Laue microdiffraction	7
Domain Auto Finder (DAFi) program: the analysis of single-crystal X-ray diffraction data from polycrystalline samples	7
CX-ASAP: a high-throughput tool for the serial refinement and analysis of crystallographic data collected under varying conditions	7
Powder-diffraction-based structural comparison for crystal structure prediction without prior indexing	7
Neutron diffraction investigation of copper tellurite glasses with high real-space resolution	7
A new technical solution to the problem of increasing the resolution of X-ray diffraction methods	7
Local orthorhombic phase in zirconium oxide nanocrystals: insights from X-ray pair distribution function analysis	7
Determining lattice parameters from two electron diffraction patterns	7
Multilevel atomic structural model for interstratified opal materials	7
Bias caused by a popular weighting scheme	7
Escape our Lab: creating an escape room game in the field of materials science and crystallography	7
ReciPro: free and open-source multipurpose crystallographic software integrating a crystal model database and viewer, diffraction and microscopy simulators, and diffraction data analysis tools	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 9780141981260.	7
Efficient data reduction for time-of-flight neutron scattering experiments on single crystals	7
Form factor of prismatic particles for small-angle scattering analysis	7
Quantitative selection of sample structures in small-angle scattering using Bayesian methods	7
Specimen-displacement correction for powder X-ray diffraction in Debye–Scherrer geometry with a flat area detector. Erratum	7
Determination of the specific surface of a granular porous material by the USAXS–SAXS intensity of a loosely packed powder sample	7
Velocity gradient dependent structures of 12–2–12 wormlike micelles: insights from small-angle neutron scattering in the 1–2 shear plane	7
Reconstructing the reflectivity of liquid surfaces from grazing incidence X-ray off-specular scattering data	7
Two metrics for quantifying systematic errors in diffraction experiments: systematic errors in the variance of the observed intensities and agreement factor gap	6
Insights into the structural symmetry of YCrO₃ from synchrotron X-ray diffraction	6
Maximally efficient exchange in thin flow cells using density gradients	6
Optimized signal deduction procedure for the MIEZE spectroscopy technique	6
101 contact twins in gypsum experimentally obtained from calcium carbonate enriched solutions: mineralogical implications for natural gypsum deposits	6
Coordinate-based simulation of pair distance distribution functions for small and large molecular assemblies: implementation and applications	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

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.	6
Small-angle X-ray scattering profile calculation for high-resolution models of biomacromolecules	6
Residual stress depth profiling based on a triaxial stress model: the principal stress gradients in magnetron-sputtered molybdenum films	6
Carles Miravitlles (1942–2023)	6
Derivation of the small-angle scattering profile of a target biomacromolecule from a profile deteriorated by aggregates. AUC–SAS	6
Benchmarking a modern laboratory-based powder diffraction instrument for in situ studies in transmission geometry	6
Dynamic catcher for stabilization of high-viscosity extrusion jets	6
Aspherical atom refinements on X-ray data of diverse structures including disordered and covalent organic framework systems: a time–accuracy trade-off	6
A machine-learning-driven data labeling pipeline for scientific analysis in MLExchange	6
Growing a thriving international community for small-angle scattering through collaboration. Corrigendum	6
DISEMM: a tool for the investigation of elasto-plastic behaviour on polycrystalline samples using X-ray and neutron diffraction	6
CyRSoXS: a GPU-accelerated virtual instrument for polarized resonant soft X-ray scattering	6
The effect of transverse wavefront width on specular neutron reflection	5
Exploiting Friedel pairs to interpret scanning 3DXRD data from complex geological materials	5
Extracting the morphology of gold bipyramids from small-angle X-ray scattering experiments via form factor modelling	5
The Radon transform as a tool for 3D reciprocal-space mapping of epitaxial microcrystals	5
Hydrostatic behaviour of highly inert Fomblin and Halocarbon fluids as pressure-transmitting media in high-pressure experiments	5
Simulation of bent Laue crystals for a high-energy X-ray monochromator with heat load consideration	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 College London Press, 2022	5
Exploring a nanostructured X-ray optical device for improved spatial resolution in laboratory X-ray diffraction imaging	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
Use of electron backscatter diffraction patterns to determine the crystal lattice. Part 1. Where is the Bragg angle?	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
Spatz: the time-of-flight neutron reflectometer with vertical sample geometry at the OPAL research reactor	5
DXRD: a user-friendly suite of two- and multiple-beam dynamical X-ray diffraction programs	5
Simultaneous SANS/FTIR measurement system incorporating the ATR sampling method	5
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	5
On the magnitude of error in the determination of rotation axes	5
Synthesizing pseudo-Kossel lines from neutron transmission data. I. An analytical approach for recovering single-crystal orientation	5
X-ray diffraction imaging of fully packaged n–p–n transistors under accelerated ageing conditions	5
A method for pole figure measurements via a dynamic segmented spiral scheme	5
Scientific Testimony. By Mikkel Gerken. Oxford University Press, 2022. Pp. 320. GBP 65. ISBN 9780198857273.	5
Extended Q-range small-angle neutron scattering to understand the morphology of proton-exchange membranes: the case of the functionalized syndiotactic-polystyrene model system	5
Design of multi-shell nested fully annular quasi-ellipsoidal focusing mirrors for small-angle neutron scattering	5
Refinement of the uranium dispersion corrections from anomalous diffraction	5
Integrating machine learning interatomic potentials with hybrid reverse Monte Carlo structure refinements in RMCProfile	5
Time-resolved high-energy X-ray diffraction studies of ultrathin Ni ferrite films on MgO(001)	5
Effective structural unit analysis in hexagonal close-packed alloys – reconstruction of parent β microstructures and crystal orientation post-processing analysis	5
Extending the depth range in energy-dispersive X-ray stress analysis by simultaneous multi-detector data acquisition in equatorial scattering geometry	5
Highly effective removal of formaldehyde from aqueous solution using mesoporous ɛ-MnO₂ crystals at room temperature	5
Pushing the limits of accessible length scales via a modified Porod analysis in small-angle neutron scattering on ordered systems	5
Towards real-time analysis of liquid jet alignment in serial femtosecond crystallography	5
Noise reduction and mask removal neural network for X-ray single-particle imaging	5
Characterization of sub-micrometre-sized voids in fixed human brain tissue using scanning X-ray microdiffraction	5
Synthesizing pseudo-Kossel lines from neutron transmission data. II. Validation with neutron diffraction data	5
DFT2FEFFIT: a density-functional-theory-based structural toolkit to analyze EXAFS spectra	5
Local variations of the piezoelectric properties of an LiNb_(1−x)Ta_xO₃ crystal	5
Elastic behaviour of orientation-correlated grains in multiphase aggregates	5
Structure modeling and quantitative X-ray diffraction of C-(A)-S-H	5
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	5
crystchemlib: a Python library and GUI for analysis of crystal structure datasets	5
3D-printed equipment to decouple (powder) X-ray diffraction sample preparation and measurement	5
Absolute intensity normalization of powder neutron scattering data	4
Refinement of X-ray and electron diffraction crystal structures using analytical Fourier transforms of Slater-type atomic wavefunctions in Olex2	4
Stabilizing ferroelectricity in alkaline-earth-metal-based perovskites (ABO₃) via A- (Ca²⁺/Sr²⁺/Ba²⁺) and B-site (Ti⁴⁺) cati	4
FLEXR GUI: a graphical user interface for multi-conformer modeling of proteins	4
Progressive alignment of crystals: reproducible and efficient assessment of crystal structure similarity	4
A multipurpose laboratory diffractometer for operando powder X-ray diffraction investigations of energy materials	4
Magnetic contrast layers with functional SiO₂ coatings for soft-matter studies with polarized neutron reflectometry	4
In situ neutron diffraction to investigate the solid-state synthesis of Ni-rich cathode materials	4
Structure refinement, microstrains and crystallite sizes of Mg-Ni-phyllosilicate nanoscroll powders	4
High-pressure intrusion of double salt aqueous solution in pure silica chabazite: searching for cation selectivity	4
hkl-based calculation of total scattering patterns from discrete and low-dimensional structure models using TOPAS	4
Laboratory X-ray powder micro-diffraction in the research of painted artworks	4
Crystals in the community and the classroom	4
X-Ray Calc 3: improved software for simulation and inverse problem solving for X-ray reflectivity	4
Deconvoluting Patterson	4
Preparation of pyrite concentrate powder from the Thackaringa mine for quantitative phase analysis using X-ray diffraction	4
Determination of α lamellae orientation in a β-Ti alloy using electron backscatter diffraction	4
Denoising an X-ray image by exploring the power of its physical symmetry	4
Ptychographic phase retrieval via a deep-learning-assisted iterative algorithm	4
Subperiodic groups, line groups and their applications	4
Progress in detection of and correction for low-energy contamination	4
Non-destructive texture characterization by a robot-arm-driven X-ray diffractometer	4
Use of a confocal optical device for centring a diamond anvil cell in single-crystal X-ray diffraction experiments	4
Towards dynamically configured databases for CIFs: the new modulated structures open database at the Bilbao Crystallographic Server	4
Low-background neutron reflectometry from solid/liquid interfaces	4
Operando anomalous X-ray powder diffraction interleaved with X-ray absorption spectroscopy using a scanning 2D imaging detector on the XMaS beamline: design, implementation and performance	4
The RAPTR furnace: a rapid heating and cooling sample furnace for in situ X-ray scattering studies of temperature-induced reactions	4
Individual dislocation identification in dark-field X-ray microscopy	4
What has scripting ever done for us? The CSD Python application programming interface (API)	4
Incorporating the direct derivation method and molecular scattering power method into the Rietveld quantitative phase analysis routine in TOPAS	4
Optimizing crucible geometry to improve the quality of AlN crystals by the physical vapor transport method	4
Design and performance of the high-resolution stress and texture neutron diffractometer HETU	4
propSym: a tool to establish relationships between property constants for material property tensors of any order	4
High-resolution 3D grain orientation mapping by inclined scanning 3D X-ray diffraction microscopy	4
The FALCON double-detector Laue diffractometer add-on for grain mapping at POLDI	4
Implications of size dispersion on X-ray scattering of crystalline nanoparticles: CeO₂ as a case study	4
Calculating temperature-dependent X-ray structure factors of α-quartz with an extensible Python 3 package	4
Using 2D integral breadth to study plastic relaxation in a quasi-lattice-matched HgCdTe/CdZnTe heterostructure	4
MuMag2022: a software tool for analyzing magnetic field dependent unpolarized small-angle neutron scattering data of bulk ferromagnets	4
MoloVol: an easy-to-use program for analyzing cavities, volumes and surface areas of chemical structures	4
Pair distribution function analysis of discrete nanomaterials in PDFgui	4
Design research with the use of visual and symmetry analysis in indigenous woven textiles	4