OOIR: Observatory of International Research

Papers

(The TQCC of IUCrJ is 8. 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 2022-05-01 to 2026-05-01.)

Article	Citations
Enhancing hydrogen positions in X-ray structures of transition metal hydride complexes with dynamic quantum crystallography	54
A new approach for serial electron diffraction data collection	50
Characterizing self-assembled structures made with magnetic Janus nanoparticles	45
AutoLEI : A step towards automatic 3D ED data processing	40
AI-enhanced X-ray diffraction analysis: towards real-time mineral phase identification and quantification	38
Community recommendations on cryoEM data archiving and validation	38
CSD Communications of the Cambridge Structural Database	32
Towards improved accuracy of Hirshfeld atom refinement with an alternative electron density partition	32
Nanostructure and dynamics of N-truncated copper amyloid-β peptides from advanced X-ray absorption fine structure	29
Many locks to one key: N-acetylneuraminic acid binding to proteins	25
In situ serial crystallography facilitates 96-well plate structural analysis at low symmetry	25
3D-printed sheet jet for stable megahertz liquid sample delivery at X-ray free-electron lasers	23
Accurate crystal structure of ice VI from X-ray diffraction with Hirshfeld atom refinement	22
Micro-structured polymer fixed targets for serial crystallography at synchrotrons and XFELs	22
JINXED: just in time crystallization for easy structure determination of biological macromolecules	22
Exploring serial crystallography for drug discovery	22
Evaluating the Volta phase plate for improved tomogram alignment in cryo-electron tomography	21
Waterless structures in the Protein Data Bank	21
Unravelling the components of diffuse scattering using deep learning	21
Peptide bonds revisited	21
Ambiguous structure determination from powder data: four different structural models of 4,11-difluoroquinacridone with similar X-ray powder patterns, fit to the PDF, SSNMR and DFT-D	20
A new statistical metric for robust target detection in cryo-EM using 2D template matching	20
The effect of polymorphism on polymer properties: crystal structure, stability and polymerization of the short-chain bio-based nylon 52 monomer 1,5-pentanediamine oxalate	20
Development of a scalar-based geometric parameterization approach for the crystal structure landscape of dithienylethene-based crystalline solids	19
Structure–property relations of a unique and systematic dataset of 19 isostructural multicomponent apremilast forms	18

Conformation–aggregation interplay in the simplest aliphatic ethers probed under high pressure	18
FLEXR-MSA: electron-density map comparisons of sequence-diverse structures	17
Instrumentation and methods for efficient time-resolved X-ray crystallography of biomolecular systems with sub-10 ms time resolution	17
Unity gives strength: combining Bertaut's and Belov's concepts and the formalism of aperiodic crystals to solve magnetic structures of unprecedented complexity	15
Data reduction in protein serial crystallography	15
The structure of Chlamydomonas LOV1 as revealed by time-resolved serial synchrotron crystallography	15
Structure of the bacteriophage PhiKZ non-virion RNA polymerase bound to a p119L open promoter analogue	15
Towards a new level of quantitative treatment of 3D electron diffraction data – in-pattern optical distortions	15
Design and implementation of suspended drop crystallization	15
Using high pressure to understand the behavior of organic molecular crystals	14
Towards the extraction of the crystal cell parameters from pair distribution function profiles	14
The dominant component of strong π-hole interactions: electrostatic attraction versus charge transfer	14
A step towards 6D WAXD tensor tomography	14
A predicted model-aided reconstruction algorithm for X-ray free-electron laser single-particle imaging	14
Photoinduced bidirectional mesophase transition in vesicles containing azobenzene amphiphiles	14
Bone mineral properties and 3D orientation of human lamellar bone around cement lines and the Haversian system	14
Structural dissection of two redox proteins from the shipworm symbiont Teredinibacter turnerae	13
Accurate temperature dependence of structure factors of L-alanine and taurine for quantum crystallography	13
Further adventures of the perovskite family	13
Exploring fibers with X-ray eyes	12
Structural characterization of TIR-domain signalosomes through a combination of structural biology approaches	12
Low-energy tetrahedral networks for carbon and silicon from (2+1)-regular bipartite-like graphs	12
A novel X-ray diffraction approach to assess the crystallinity of regenerated cellulose fibers	12
Additive-driven microwave crystallization of tyramine polymorphs and salts: a quantum crystallography perspective	12
Complementarity of neutron, XFEL and synchrotron crystallography for defining the structures of metalloenzymes at room temperature	12
Stereochemical aspects of the nucleophilic attack in different classes of L -asparaginases	12
Going beyond ensemble average angular cross-correlation analysis	12
Structure–property relationship of a complex photoluminescent arylacetylide-gold(I) compound. I: a pressure-induced phase transformation caught in the act	12
Real-space texture and pole-figure analysis using the 3D pair distribution function on a platinum thin film	11
Discovery of an energy-dependent many-body process in the Kβ spectrum of manganese metal using extended-range high-energy-resolution fluorescence detection with advanced structural insights fro	11
Using multiple computer-predicted structures as molecular replacement models: application to the antiviral mini-protein LCB2	11
Linking solid-state phenomena via energy differences in `archetype crystal structures'	11
Using deep-learning predictions reveals a large number of register errors in PDB depositions	11
Crystal structure of a bacterial photoactivated adenylate cyclase determined by serial femtosecond and serial synchrotron crystallography	11
Advancing dynamic quantum crystallography: enhanced models for accurate structures and thermodynamic properties	11
3D electron diffraction goes multipolar	10
Cocrystals of a coumarin derivative: an efficient approach towards anti-leishmanial cocrystals against MIL-resistant Leishmania tropica	10
Understanding structural distortions in hybrid layered perovskites with the n = 1 Ruddlesden–Popper structure	10
Metal-free enantiomorphic perovskite [dabcoH₂]²⁺[H₃O]⁺Br⁻ ₃ and its one-dimensional polar polymorph	10
Hirshfeld atom refinement and dynamical refinement of hexagonal ice structure from electron diffraction data	10
Sometimes Mother Nature only whispers	10
IUCrJ in 2025 – welcomes, farewells and special issues	9
Commentary on `Facing the phase problem' by Wayne Hendrickson	9
STEM SerialED: achieving high-resolution data for ab initio structure determination of beam-sensitive nanocrystalline materials	9
Managing negative linear compressibility and thermal expansion through steric hindrance: a case study of 1,2-bis(4′-pyridyl)ethane cocrystals	9
True molecular conformation and structure determination by three-dimensional electron diffraction of PAH by-products potentially useful for electronic applications	9
Dynamic X-ray speckle-tracking imaging with high-accuracy phase retrieval based on deep learning	9
High-throughput automated molecular replacement for small-molecule MicroED data	9
SpeckleNN: a unified embedding for real-time speckle pattern classification in X-ray single-particle imaging with limited labeled examples	9
The nature of halogen bonding: insights from interacting quantum atoms and source function studies	9

Structural insights into the antiviral efficacy of AG7404 against human rhinovirus 3C proteases	8
Accounting for electron-beam-induced warping of molecular nanocrystals in MicroED structure determination	8
Functional materials design: octahedral tilts in hybrid n = 1 Ruddlesden–Popper phases	8
Modelling fine-sliced three dimensional electron diffraction data with dynamical Bloch-wave simulations	8
The curious case of proton migration under pressure in the malonic acid and 4,4′-bipyridine cocrystal	8
Magellon – an extensible platform for cryo-EM data visualization, management and processing	8
Low-density preference of the ambient and high-pressure polymorphs of DL-menthol	8
Making ripples in the comparison of calculated and experimental maps for real-space refinement and assessment by analytic modelling of local resolution	8
Structural transformations and stability of benzo[a]pyrene under high pressure	8
Towards automating single-particle cryo-EM data acquisition	8
Obtaining single crystals containing cationic porphyrins from aqueous solutions: a systematic approach including nano-crystallization, organic modifiers and gel crystallization	8
Fourth-generation light sources	8
Orientational ordering and assembly of silica–nickel Janus particles in a magnetic field	8
Combining experiment and prediction to explore surface chemistry and dissolution	8
Benchmarking predictive methods for small-angle X-ray scattering from atomic coordinates of proteins using maximum likelihood consensus data	8