OOIR: Observatory of International Research

Papers

(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 2022-01-01 to 2026-01-01.)

Article	Citations
From solution to structure: empowering inclusive cryo-EM with a pre-characterization pipeline for biological samples	248
Chemical units of binary solid-solution alloys directly derived from short-range-order parameters	163
Solving disorder in (3D) real space: a comparative study of the three-dimensional difference pair distribution function and atomic resolution holography reconstructions	163
Radial spin echo small-angle neutron scattering method: concept and performance	134
EDP2PDF: a computer program for extracting a pair distribution function from an electron diffraction pattern for the structural analysis of materials	119
Form factor of helical structures and twisted fibres	101
X-ray scattering study of GaN nanowires grown on Ti/Al₂O₃ by molecular beam epitaxy	78
Indium Kα radiation from a MetalJet X-ray source: the long way to a successful charge-density investigation	58
Energy-dispersive Laue diffraction analysis of the influence of statherin and histatin on the crystallographic texture during human dental enamel demineralization	53
Free tools for crystallographic symmetry handling and visualization	52
Automated pipeline processing X-ray diffraction data from dynamic compression experiments on the Extreme Conditions Beamline of PETRA III	47
Patching-based deep-learning model for the inpainting of Bragg coherent diffraction patterns affected by detector gaps	39
Pydidas: a tool for automated X-ray diffraction data analysis	38
Strain-induced density fluctuations in linear low-density polyethylene	33
Niggli reduction and Bravais lattice determination	28
WinXPRO, 3DPlot and TrajPlot computer software: new options for orbital-free quantum crystallography studies	27
X-ray tensor tomography for small-grained polycrystals with strong texture	26
Structural characteristics of Bi₂O₂CO₃ nanosheets synthesized by nano-pulsed discharges in water	26
Electron diffraction characterization of nanocrystalline materials using a Rietveld-based approach. Part II. Application to microstructural analysis	23
Measurement of the spin-wave stiffness and energy gap in the magnon spectrum of amorphous ferromagnets by small-angle scattering of polarized neutrons	23
Structural and electronic properties of Mo-decorated graphene, reduced graphene and reduced graphene oxide: a DFT calculation	23
Program VUE: analysing distributions of cryo-EM projections using uniform spherical grids	23
HTD2: a single-crystal X-ray diffractometer for combined high-pressure/low-temperature experiments at laboratory scale	22
Thermal expansion of LaB₆ from 298 to 998 K	21
Brittle fracture studied by ultra-high-speed synchrotron X-ray diffraction imaging	21

Dehydroxylation and structural transition in α-GaOOH investigated by in situ X-ray diffraction	21
Refinements for Bragg coherent X-ray diffraction imaging: electron backscatter diffraction alignment and strain field computation	20
Twinning and homoepitaxy cooperation in the already rich growth morphology of CaCO₃ polymorphs. I. Aragonite	20
Multifitting 2: software for reflectometric, off-specular and grazing-incidence small-angle scattering analysis of multilayer nanofilms	20
Combination of an inject-and-transfer system for serial femtosecond crystallography	19
Phase retrieval based on a total-variation-regularized Poisson model for X-ray ptychographic imaging of low-contrast objects	19
PRINSAS 2.0: a Python-based graphical user interface tool for fitting polydisperse spherical pore models in small-angle scattering analysis of porous materials	19
Rocking-curve imaging of high-quality protein crystals by non-dispersive X-ray optics in the double-crystal configuration	19
Experimental setup for high-resolution characterization of crystal optics for coherent X-ray beam applications	19
A spherical harmonics method for processing anisotropic X-ray atomic pair distribution functions	18
Texture-based residual stress analysis of laser powder bed fused Inconel 718 parts	18
Classification and statistical analysis of structural disorder in crystalline materials	18
Absolute scattering length density profile of liposome bilayers obtained by SAXS combined with GIXOS: a tool to determine model biomembrane structure	18
Fast Radon transforms for high-precision EBSD orientation determination using PyEBSDIndex	17
Simulation and modelling of the detergent corona around the membrane protein MhsT based on SAXS data	17
ProLEED Studio: software for modeling low-energy electron diffraction patterns	17
A simple solution to the Rietveld refinement recipe problem	17
X-ray free-electron laser based dark-field X-ray microscopy: a simulation-based study	16
Solid–solid phase transformation of aspirin at high pressures and room temperatures	16
LaueNN: neural-network-based hkl recognition of Laue spots and its application to polycrystalline materials	16
When the difference between incommensurate and commensurate structures becomes elusive: the case of Bi₄BO₇ X (X = Cl, Br) oxyhalides	16
Probing the out-of-equilibrium dynamics of driven colloids by X-ray photon correlation spectroscopy	16
A comparison of deep-learning-based inpainting techniques for experimental X-ray scattering	16
Phase-contrast neutron imaging compared with wave propagation and McStas simulations	15
Efficient solution of particle shape functions for the analysis of powder total scattering data	15
A double-walled sapphire single-crystal gas-pressure cell (type III) for in situ neutron diffraction	15
Two-step GISAXS characterization of NiSi₂ nanoplates and Ni nanocrystals embedded in a silicon wafer covered with a silica thin film	14
Low-dose electron microscopy imaging for beam-sensitive metal–organic frameworks	14
Finite-element simulation for crystals with surface undulations based on Takagi–Taupin theory	14
The linear phase correction of modulation of intensity emerging from zero effort (MIEZE) with magnetic Wollaston prisms	14
Overview of ParaCell package for indexing in powder diffraction	14
DLSIA: Deep Learning for Scientific Image Analysis	13
Model for small-angle scattering analysis of membranes with protein-like inclusions	13
Observation of in-plane shear stress fields in off-axis SiC wafers by birefringence imaging	13
Classification of diffraction patterns using a convolutional neural network in single-particle-imaging experiments performed at X-ray free-electron lasers	13
Line profile analysis of energy-scanned Laue microdiffraction peaks using the modified Williamson–Hall and modified Warren–Averbach methods	12
Co-flow injection for serial crystallography at X-ray free-electron lasers	12
Inferring effective electrostatic interaction of charge-stabilized colloids from scattering using deep learning	12
CRISTAL-ITE: a single-crystal X-ray diffractometer scale model for scientific dissemination	12
Flow-Xl: a new facility for the analysis of crystallization in flow systems	12
On the dependence of creep-induced dislocation configurations on crystallographic orientation in pure Al and Al–Mg	12
pdCIFplotter: visualizing powder diffraction data in pdCIF format	12
Tangible symmetry elements and space-group models to guide from molecular to solid-state composition	11
Optimizing experimental design in neutron reflectometry	11
Kinetics of light-induced mesophase transitions in azobenzene amphiphiles containing lyotropic liquid crystals	11
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	11
Effect of the crystallographic orientation of the surface of single-crystal Si wafers on the endotaxial growth of NiSi₂ nanoplates	11
(U)SAXS characterization of porous microstructure of chert: insights into organic matter preservation	11
Quantifying dispersity in size and shape of nanoparticles from small-angle scattering data using machine learning based CREASE	11
Optimization strategies and artifacts of time-involved small-angle neutron scattering experiments	11

Structure evolution of nanodiamond aggregates: a SANS and USANS study	11
Principal component analysis luminescence thermometry of Ce³⁺ – case study of BaF₂:Ce³⁺ single crystals	11
Ray-tracing analytical absorption correction for X-ray crystallography based on tomographic reconstructions	11
Microstructural changes in building materials after various consolidation treatments studied by small-angle neutron scattering, mercury intrusion porosimetry and scanning electron microscopy	10
Quantitative texture analysis at the WAND² and HIDRA diffractometers	10
Reflectivity spectra as absorption resonant spectra: is it correct?	10
Reconstruction algorithms for grain mapping by laboratory X-ray diffraction contrast tomography	10
Electronic angle focusing for neutron time-of-flight powder diffractometers	10
Optimization of highly oriented pyrolytic graphite applied to neutron crystal optics	10
Novel methodology to determine thermal properties of nanoparticles exclusively based on SAXS measurements applied to Bi nanocrystals and nanodroplets in a glass matrix	10
Resonant neutron scattering lengths	10
Coherent X-ray diffraction imaging of single particles: background impact on 3D reconstruction	10
An extended thermal pressure equation of state for sodium fluoride	10
An inclined detector geometry for improved X-ray total scattering measurements	10
Olga Kennard OBE FRS (1924–2023)	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
Dislocation substructures in pure aluminium after creep deformation as studied by electron backscatter diffraction	9
In situ biaxial loading and multi-scale deformation measurements of nanostructured materials at the CoSAXS beamline at MAX IV Laboratory	9
AlphaFold, small-angle X-ray scattering and ensemble modelling: a winning combination for intrinsically disordered proteins	9
Insights into the precipitation kinetics of CaCO₃ particles in the presence of polystyrene sulfonate using in situ small-angle X-ray scattering	9
Representative volume elements of strain/stress fields measured by diffraction techniques	9
Symmetry groups of the Batak basketweave patterns	9
Quality assessment of the wide-angle detection option planned at the high-intensity/extended Q -range SANS diffractometer KWS-2 combining experiments and	9
In situ counter-diffusion crystallization and long-term crystal preservation in microfluidic fixed targets for serial crystallography	9
Performance of the new biological small- and wide-angle X-ray scattering beamline 13A at the Taiwan Photon Source	9
Combining synchrotron X-ray diffraction, mechanistic modeling and machine learning for in situ subsurface temperature quantification during laser melting	9
Pair distribution function analysis of nano-object assemblies	9
Quantifying interflake ordering in graphene oxide films via wide-angle X-ray scattering analysis	9
Designing a dataset for convolutional neural networks to predict space groups consistent with extinction laws	9
Three-point bending behavior of individual ZnO nanowires studied by in situ Laue microdiffraction	9
Robust phase determination in complex solid solutions using diffuse multiple scattering	9
xrd_simulator: 3D X-ray diffraction simulation software supporting 3D polycrystalline microstructure morphology descriptions	9
Effect of the nitrogen content of sputtering gas during Ni deposition on Ni/Ti periodic multilayers and neutron supermirror performance	9
A new technical solution to the problem of increasing the resolution of X-ray diffraction methods	8
Powder-diffraction-based structural comparison for crystal structure prediction without prior indexing	8
Sub-second pair distribution function using a broad bandwidth monochromator	8
OPUS: an easy way to push the limits of SANS instruments towards USANS	8
A correction procedure for secondary scattering contributions from windows in small-angle X-ray scattering and ultra-small-angle X-ray scattering	8
Form factor of prismatic particles for small-angle scattering analysis	8
Thickness independence of antiferroelectric domain characteristic sizes in epitaxial PbZrO₃/SrRuO₃/SrTiO₃ films	8
Generating random unit cells	8
Thermal behavior of römerite over a Mars surface relevant temperature range: single-crystal and powder X-ray crystallography and magnetic properties	8
Analysis of time-of-flight small-angle neutron scattering data on mesoscopic crystals such as magnetic vortex lattices	8
Revisiting the structures and phase transitions of PrNiO ₃ nickelate using symmetry-mode analysis	8
Local orthorhombic phase in zirconium oxide nanocrystals: insights from X-ray pair distribution function analysis	8
Uniaxial polarization analysis of bulk ferromagnets: theory and first experimental results	8
Determination of the average crystallite size and the crystallite size distribution: the envelope function approach EnvACS	8
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.	8
Intensity corrections for grazing-incidence X-ray diffraction of thin films using static area detectors	8
Energy-dispersive X-ray stress analysis under geometric constraints: exploiting the material's inherent anisotropy	8
Determination of the degree of crystallinity of polyphenylene sulfide composited with crystalline and non-crystalline fillers by applying the direct derivation method	8
Linearization routines for the parameter space concept to determine crystal structures without Fourier inversion	8
Experimental and simulation study on hydrogen-bond-induced crystallization of spherical ammonium dinitramide	8
Escape our Lab: creating an escape room game in the field of materials science and crystallography	7
Determination of the specific surface of a granular porous material by the USAXS–SAXS intensity of a loosely packed powder sample	7
Rheo-SAXS study on electrically responsive hydrogels with shear-induced conductive micellar networks for on-demand drug release	7
Optimized signal deduction procedure for the MIEZE spectroscopy technique	7
Efficient data reduction for time-of-flight neutron scattering experiments on single crystals	7
Specimen-displacement correction for powder X-ray diffraction in Debye–Scherrer geometry with a flat area detector. Erratum	7
PYXIS: an integrated software package for synchrotron micro/nanodiffraction data analysis	7
Determining lattice parameters from two electron diffraction patterns	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
CX-ASAP : a high-throughput tool for the serial refinement and analysis of crystallographic data collected under varying conditions	7
Benchmarking a modern laboratory-based powder diffraction instrument for in situ studies in transmission geometry	7
Quantitative selection of sample structures in small-angle scattering using Bayesian methods	7
DISEMM: a tool for the investigation of elasto-plastic behaviour on polycrystalline samples using X-ray and neutron diffraction	7
Site dependence of the magnetocaloric effect in Mn_5−xFe_xSi₃	7
Residual stress depth profiling based on a triaxial stress model: the principal stress gradients in magnetron-sputtered molybdenum films	7
Reconstructing the reflectivity of liquid surfaces from grazing incidence X-ray off-specular scattering data	7
Physics-informed machine learning analysis for nanoscale grain mapping by synchrotron Laue microdiffraction	7
Velocity gradient dependent structures of 12–2–12 wormlike micelles: insights from small-angle neutron scattering in the 1–2 shear plane	7
Anomalous X-ray diffraction on hybrid perovskite thin films: results and challenges	7
Accessing self-diffusion on nanosecond time and nanometre length scales with minute kinetic resolution	7
Carles Miravitlles (1942–2023)	7
A machine-learning-driven data labeling pipeline for scientific analysis in MLExchange	7
Duality of spaces and the origin of integral reflection conditions	7
Bias caused by a popular weighting scheme	7
Multilevel atomic structural model for interstratified opal materials	7
Domain Auto Finder (DAFi) program: the analysis of single-crystal X-ray diffraction data from polycrystalline samples	7
101 contact twins in gypsum experimentally obtained from calcium carbonate enriched solutions: mineralogical implications for natural gypsum deposits	6

Extracting the morphology of gold bipyramids from small-angle X-ray scattering experiments via form factor modelling	6
The effect of transverse wavefront width on specular neutron reflection	6
Characterization of sub-micrometre-sized voids in fixed human brain tissue using scanning X-ray microdiffraction	6
Neutron absorption correction and mean path length calculations for multiple samples with arbitrary shapes: application to highly absorbing samples on the Multi-Axis Crystal Spectrometer at NIST	6
Insights into the structural symmetry of YCrO₃ from synchrotron X-ray diffraction	6
Exploiting Friedel pairs to interpret scanning 3DXRD data from complex geological materials	6
Time-resolved high-energy X-ray diffraction studies of ultrathin Ni ferrite films on MgO(001)	6
Aspherical atom refinements on X-ray data of diverse structures including disordered and covalent organic framework systems: a time–accuracy trade-off	6
Two metrics for quantifying systematic errors in diffraction experiments: systematic errors in the variance of the observed intensities and agreement factor gap	6
Derivation of the small-angle scattering profile of a target biomacromolecule from a profile deteriorated by aggregates. AUC–SAS	6
Maximally efficient exchange in thin flow cells using density gradients	6
CyRSoXS: a GPU-accelerated virtual instrument for polarized resonant soft X-ray scattering	6
On the magnitude of error in the determination of rotation axes	6
3D-printed equipment to decouple (powder) X-ray diffraction sample preparation and measurement	6
Extending the depth range in energy-dispersive X-ray stress analysis by simultaneous multi-detector data acquisition in equatorial scattering geometry	6
crystchemlib: a Python library and GUI for analysis of crystal structure datasets	6
Simultaneous SANS/FTIR measurement system incorporating the ATR sampling method	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
Angle- and energy-dispersive diffraction used to determine stress evolution in 17-4 PH stainless steel produced by ADAM and subjected to SMAT processing	6
Small-angle X-ray scattering in the era of fourth-generation light sources	6
Coordinate-based simulation of pair distance distribution functions for small and large molecular assemblies: implementation and applications	6
Pushing the limits of accessible length scales via a modified Porod analysis in small-angle neutron scattering on ordered systems	6
Effective structural unit analysis in hexagonal close-packed alloys – reconstruction of parent β microstructures and crystal orientation post-processing analysis	6
DXRD: a user-friendly suite of two- and multiple-beam dynamical X-ray diffraction programs	6
Highly effective removal of formaldehyde from aqueous solution using mesoporous ɛ-MnO₂ crystals at room temperature	6
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	6
Small-angle X-ray scattering profile calculation for high-resolution models of biomacromolecules	6
X-ray data reconstruction from incomplete data sampling	6
Integrating machine learning interatomic potentials with hybrid reverse Monte Carlo structure refinements in RMCProfile	5
Use of electron backscatter diffraction patterns to determine the crystal lattice. Part 1. Where is the Bragg angle?	5
High-resolution 3D grain orientation mapping by inclined scanning 3D X-ray diffraction microscopy	5
Position-independent product increase rate in a shaker mill revealed by position-resolved in situ synchrotron powder X-ray diffraction	5
Use of a confocal optical device for centring a diamond anvil cell in single-crystal X-ray diffraction experiments	5
In situ small-angle X-ray scattering measurement at the Very Small Angle Neutron Scattering Instrument at the China Spallation Neutron Source	5
High-pressure intrusion of double salt aqueous solution in pure silica chabazite: searching for cation selectivity	5
DFT2FEFFIT : a density-functional-theory-based structural toolkit to analyze EXAFS spectra	5
diffpy.mpdf: open-source software for magnetic pair distribution function analysis	5
Local variations of the piezoelectric properties of an LiNb_(1−x)Ta_xO₃ crystal	5
Exploring a nanostructured X-ray optical device for improved spatial resolution in laboratory X-ray diffraction imaging	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
Scientific Testimony. By Mikkel Gerken. Oxford University Press, 2022. Pp. 320. GBP 65. ISBN 9780198857273.	5
Hydrostatic behaviour of highly inert Fomblin and Halocarbon fluids as pressure-transmitting media in high-pressure experiments	5
A method for pole figure measurements via a dynamic segmented spiral scheme	5
Towards real-time analysis of liquid jet alignment in serial femtosecond crystallography	5
Automated and real-time structure solution using 3D electron diffraction	5
Progress in detection of and correction for low-energy contamination	5
Ptychographic phase retrieval via a deep-learning-assisted iterative algorithm	5
Design of multi-shell nested fully annular quasi-ellipsoidal focusing mirrors for small-angle neutron scattering	5
Low-background neutron reflectometry from solid/liquid interfaces	5
Refinement of the uranium dispersion corrections from anomalous diffraction	5
Structure modeling and quantitative X-ray diffraction of C-(A)-S-H	5
The Radon transform as a tool for 3D reciprocal-space mapping of epitaxial microcrystals	5
Synthesizing pseudo-Kossel lines from neutron transmission data. II. Validation with neutron diffraction data	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
X-ray diffraction imaging of fully packaged n–p–n transistors under accelerated ageing conditions	5
Dynamic catcher for stabilization of high-viscosity extrusion jets	5
Elastic behaviour of orientation-correlated grains in multiphase aggregates	5
Laboratory X-ray powder micro-diffraction in the research of painted artworks	5
In situ neutron diffraction to investigate the solid-state synthesis of Ni-rich cathode materials	5
Pair distribution function analysis of discrete nanomaterials in PDFgui	5
Noise reduction and mask removal neural network for X-ray single-particle imaging	5
A multipurpose laboratory diffractometer for operando powder X-ray diffraction investigations of energy materials	5
Upgraded LauePt4 for rapid recognition and fitting of Laue patterns from crystals with unknown orientations	5
MoloVol : an easy-to-use program for analyzing cavities, volumes and surface areas of chemical structures	5
Seismic noise in crystal neutron interferometry	5
Synthesizing pseudo-Kossel lines from neutron transmission data. I. An analytical approach for recovering single-crystal orientation	5
Simulation of bent Laue crystals for a high-energy X-ray monochromator with heat load consideration	5
Using 2D integral breadth to study plastic relaxation in a quasi-lattice-matched HgCdTe/CdZnTe heterostructure	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
Spatz: the time-of-flight neutron reflectometer with vertical sample geometry at the OPAL research reactor	5