OOIR: Observatory of International Research

Papers

(The TQCC of IUCrJ is 6. 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 2021-05-01 to 2025-05-01.)

Article	Citations
Characterizing self-assembled structures made with magnetic Janus nanoparticles	70
AI-enhanced X-ray diffraction analysis: towards real-time mineral phase identification and quantification	52
Many locks to one key: N-acetylneuraminic acid binding to proteins	42
Enhancing hydrogen positions in X-ray structures of transition metal hydride complexes with dynamic quantum crystallography	41
In situ serial crystallography facilitates 96-well plate structural analysis at low symmetry	33
An advanced workflow for single-particle imaging with the limited data at an X-ray free-electron laser. Corrigendum	32
Spatiotemporal control of L-phenylalanine crystallization in microemulsion: the role of water in mediating molecular self-assembly	32
A new approach for serial electron diffraction data collection	30
Nanostructure and dynamics of N-truncated copper amyloid-β peptides from advanced X-ray absorption fine structure	27
Maximizing completeness in single-crystal high-pressure diffraction experiments: phase transitions in 2°AP	27
Fixed-target serial femtosecond crystallography using in cellulo grown microcrystals	26
CSD Communications of the Cambridge Structural Database	25
Community recommendations on cryoEM data archiving and validation	24
Waterless structures in the Protein Data Bank	21
Towards improved accuracy of Hirshfeld atom refinement with an alternative electron density partition	21
Exploring serial crystallography for drug discovery	21
JINXED: just in time crystallization for easy structure determination of biological macromolecules	20
Locating hydrogen positions in the autunite mineral metatorbernite [Cu(UO₂)₂(PO₄)₂·8H₂O]: a combined approach using neutron powder diffraction an	20
3D-printed sheet jet for stable megahertz liquid sample delivery at X-ray free-electron lasers	19
Accurate crystal structure of ice VI from X-ray diffraction with Hirshfeld atom refinement	19
Micro-structured polymer fixed targets for serial crystallography at synchrotrons and XFELs	18
Peptide bonds revisited	18
Discerning best practices in XFEL-based biological crystallography – standards for nonstandard experiments	17
Structure–property relations of a unique and systematic dataset of 19 isostructural multicomponent apremilast forms	17
UnitCell Tools, a package to determine unit-cell parameters from a single electron diffraction pattern	17

Development of a scalar-based geometric parameterization approach for the crystal structure landscape of dithienylethene-based crystalline solids	17
X-ray crystallographic studies of RoAb13 bound to PIYDIN, a part of the N-terminal domain of C-C chemokine receptor 5	17
Conformation–aggregation interplay in the simplest aliphatic ethers probed under high pressure	17
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	16
A new statistical metric for robust target detection in cryo-EM using 2D template matching	15
Insights into molecular recognition from the crystal structures of p-tert-butylcalix[6]arene complexed with different solvents	15
Instrumentation and methods for efficient time-resolved X-ray crystallography of biomolecular systems with sub-10 ms time resolution	14
Orientational mapping of minerals in Pierre shale using X-ray diffraction tensor tomography	14
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	14
Differences in thermal expansion and motion ability for herringbone and face-to-face π-stacked solids	14
Unravelling the components of diffuse scattering using deep learning	14
The structure of Chlamydomonas LOV1 as revealed by time-resolved serial synchrotron crystallography	13
Towards a new level of quantitative treatment of 3D electron diffraction data – in-pattern optical distortions	13
Decellularized pericardium tissues at increasing glucose, galactose and ribose concentrations and at different time points studied using scanning X-ray microscopy	13
Data reduction in protein serial crystallography	13
FLEXR-MSA: electron-density map comparisons of sequence-diverse structures	13
Design and implementation of suspended drop crystallization	12
Bone mineral properties and 3D orientation of human lamellar bone around cement lines and the Haversian system	12
Photoinduced bidirectional mesophase transition in vesicles containing azobenzene amphiphiles	12
Unity gives strength: combining Bertaut's and Belov's concepts and the formalism of aperiodic crystals to solve magnetic structures of unprecedented complexity	12
Towards the extraction of the crystal cell parameters from pair distribution function profiles	11
Lipid transport across the mycobacterial cell envelope	11
A predicted model-aided reconstruction algorithm for X-ray free-electron laser single-particle imaging	11
A step towards 6D WAXD tensor tomography	11
Using high pressure to understand the behavior of organic molecular crystals	11
Structural dissection of two redox proteins from the shipworm symbiont Teredinibacter turnerae	11
The dominant component of strong π-hole interactions: electrostatic attraction versus charge transfer	11
Revealing the early stages of carbamazepine crystallization by cryoTEM and 3D electron diffraction	11
Structure–property relationship of a complex photoluminescent arylacetylide-gold(I) compound. I: a pressure-induced phase transformation caught in the act	11
A novel X-ray diffraction approach to assess the crystallinity of regenerated cellulose fibers	10
High-resolution single-particle cryo-EM of samples vitrified in boiling nitrogen	10
Further adventures of the perovskite family	10
Crystal structure of a bacterial photoactivated adenylate cyclase determined by serial femtosecond and serial synchrotron crystallography	10
Additive-driven microwave crystallization of tyramine polymorphs and salts: a quantum crystallography perspective	10
Structural characterization of TIR-domain signalosomes through a combination of structural biology approaches	10
Accurate temperature dependence of structure factors of L-alanine and taurine for quantum crystallography	10
Complementarity of neutron, XFEL and synchrotron crystallography for defining the structures of metalloenzymes at room temperature	10
Crystal engineering in IUCrJ 2021: interactions, structures, properties	9
Linking solid-state phenomena via energy differences in `archetype crystal structures'	9
Real-space texture and pole-figure analysis using the 3D pair distribution function on a platinum thin film	9
New ligand-binding sites identified in the crystal structures of β-lactoglobulin complexes with desipramine	9
Using deep-learning predictions reveals a large number of register errors in PDB depositions	9
Going beyond ensemble average angular cross-correlation analysis	9
Advancing dynamic quantum crystallography: enhanced models for accurate structures and thermodynamic properties	9
Understanding structural distortions in hybrid layered perovskites with the n = 1 Ruddlesden–Popper structure	9
IUCrJ launches electron crystallography section	8
3D electron diffraction goes multipolar	8
Accelerating the discovery of new materials with deep learning	8
Cocrystals of a coumarin derivative: an efficient approach towards anti-leishmanial cocrystals against MIL-resistant Leishmania tropica	8
Metal-free enantiomorphic perovskite [dabcoH₂]²⁺[H₃O]⁺Br⁻ ₃ and its one-dimensional polar polymorph	8

Charge density studies of multicentre two-electron bonding of an anion radical at non-ambient temperature and pressure	8
Molecular basis of dimerization of lytic transglycosylase revealed by the crystal structure of MltA from Acinetobacter baumannii	8
Managing negative linear compressibility and thermal expansion through steric hindrance: a case study of 1,2-bis(4′-pyridyl)ethane cocrystals	8
Detection and characterization of folded-chain clusters in the structured melt of isotactic polypropylene	7
SpeckleNN: a unified embedding for real-time speckle pattern classification in X-ray single-particle imaging with limited labeled examples	7
The nature of halogen bonding: insights from interacting quantum atoms and source function studies	7
Deep learning for improving non-destructive grain mapping in 3D	7
Commentary on `Facing the phase problem' by Wayne Hendrickson	7
Hirshfeld atom refinement and dynamical refinement of hexagonal ice structure from electron diffraction data	7
Accounting for electron-beam-induced warping of molecular nanocrystals in MicroED structure determination	7
The curious case of proton migration under pressure in the malonic acid and 4,4′-bipyridine cocrystal	7
Prism-based scanning X-ray microscopy	6
STEM SerialED: achieving high-resolution data for ab initio structure determination of beam-sensitive nanocrystalline materials	6
Fourth-generation light sources	6
Coarse snapshots of oxygen-dissociation intermediates of a giant hemoglobin elucidated by determining the oxygen saturation in individual subunits in the crystalline state	6
Functional materials design: octahedral tilts in hybrid n = 1 Ruddlesden–Popper phases	6
Pink beam crystallography demonstrated in SFX	6
Low-density preference of the ambient and high-pressure polymorphs of DL-menthol	6
Dynamic X-ray speckle-tracking imaging with high-accuracy phase retrieval based on deep learning	6
True molecular conformation and structure determination by three-dimensional electron diffraction of PAH by-products potentially useful for electronic applications	6
Making ripples in the comparison of calculated and experimental maps for real-space refinement and assessment by analytic modelling of local resolution	6
Orientational ordering and assembly of silica–nickel Janus particles in a magnetic field	6
Comparison of side-chain dispersion in protein structures determined by cryo-EM and X-ray crystallography	6
Relativistic Hirshfeld atom refinement of an organo-gold(I) compound	6
Benchmarking predictive methods for small-angle X-ray scattering from atomic coordinates of proteins using maximum likelihood consensus data	6
Combining experiment and prediction to explore surface chemistry and dissolution	6