most read articles
These are the most read articles in the last six months.
Simplified formula for calculating interplanar spacings in the rhombohedral system. (1954). Acta Cryst. 7, 782.
The structure of sodium thymonucleate fibres. I. The influence of water content. (1953). Acta Cryst. 6, 673-677.
Syntheses for the deconvolution of the Patterson function. I. General principles. (1959). Acta Cryst. 12, 957-964.
Line profiles of neutron powder-diffraction peaks for structure refinement. (1967). Acta Cryst. 22, 151-152.
A possible explanation of the
c separation in intermediate plagioclase. (1958). Acta Cryst. 11, 323-324.
c separation in intermediate plagioclase. (1958). Acta Cryst. 11, 323-324. Atomic pair distribution functions from textured polycrystalline samples: fundamentals. (2025). Acta Cryst. A81, 412-418.
Instrumental broadening and the radial pair distribution function with 2D detectors. (2024). Acta Cryst. A80, 358-366.
Topological coordination numbers and coordination reciprocity from electron-density distributions. (2025). Acta Cryst. A81, 221-244.
On artificial crystal structure generation for solving the phase problem with deep learning. (2026). Acta Cryst. A82, 32-40.
Artificial intelligence in action: building simulation and analysis tools for powder diffraction. (2025). Acta Cryst. A81, 401-404.
Refuting `a new theory for X-ray diffraction' – a reciprocal-space approach. (2025). Acta Cryst. A81, 306-316.
Lattice symmetry relaxation as a cause for anisotropic line broadening and peak shift in powder diffraction. (2024). Acta Cryst. A80, 439-445.
Crystallography of quasiperiodic moiré patterns in homophase twisted bilayers. (2025). Acta Cryst. A81, 94-106.
Structure of face-centred icosahedral quasicrystals with cluster close packing. (2024). Acta Cryst. A80, 422-438.
Periodic diffraction from an aperiodic monohedral tiling – the Spectre tiling. Addendum. (2024). Acta Cryst. A80, 460-463.
Crystal structures of two new high-pressure oxynitrides with composition SnGe4N4O4, from single-crystal electron diffraction. (2024). Acta Cryst. B80, 182-192.
New ion radii for oxides and oxysalts, fluorides, chlorides and nitrides. (2024). Acta Cryst. B80, 326-339.
The seventh blind test of crystal structure prediction: structure generation methods. (2024). Acta Cryst. B80, 517-547.
The seventh blind test of crystal structure prediction: structure ranking methods. (2024). Acta Cryst. B80, 548-574.
Following the guidelines for communicating commensurate magnetic structures: real case examples. (2024). Acta Cryst. B80, 235-248.
Crystal structure analysis of van der Waals layered phosphorus chalcogenide CuVP2S6. (2025). Acta Cryst. B81, 565-571.
Prediction and analysis of symmetry-raising transitions in anilinium tetrafluoroborate. (2025). Acta Cryst. B81, 587-594.
The varying temperature- and pressure-induced phase transition pathways in hybrid improper ferroelectric Sr3Sn2O7. (2025). Acta Cryst. B81, 318-324.
OD (order–disorder) interpretation and diffuse scattering analysis of an organic polytype with allotwin character: a detailed how-to. (2025). Acta Cryst. B81, 550-564.
DMSO solvates of tert-butylcalix[6]arene and related multisolvent structures. (2025). Acta Cryst. B81, 517-527.
A case for resonant X-ray Bragg diffraction by a collinear antiferromagnet Li2Ni3P4O14. (2025). Acta Cryst. B81, 582-586.
Probing the local structure of Bi2O3 chemical derivatives: the neglected cation sublattice. (2025). Acta Cryst. B81, 595-604.
How to use DIALS to process chemical crystallography 3D ED rotation data from pixel array detectors. (2025). Acta Cryst. C81, 1-13.
Crystal structure of the cytotoxic macrocyclic trichothecene Isororidin A. (2024). Acta Cryst. C80, 407-411.
Synthesis and characterization of coumarin-derived sulfur analogues using Lawesson's reagent. (2025). Acta Cryst. C81, 170-180.
A good-practice guide to solving and refining molecular organic crystal structures from laboratory powder X-ray diffraction data. (2025). Acta Cryst. C81, 559-569.
Crystallographic and physicochemical characterization of salcaprozoic acid: a structural basis for SNAC-enabled drug delivery systems. (2025). Acta Cryst. C81, 607-613.
Fast event-based electron counting for small-molecule structure determination by MicroED. (2025). Acta Cryst. C81, 116-130.
On the importance of crystal structures for organic thin film transistors. (2024). Acta Cryst. C80, 601-611.
Structural adaptability and hydrogen bonding in a dissymmetric pyrimidine thioether ligand. (2025). Acta Cryst. C81, 598-606.
Charge-enhanced pyridyl trifluoroborate organocatalysts: crystal structures and reactivity. (2026). Acta Cryst. C82, 8-26.
Cryo-EM single-particle analysis expanding towards increasingly native samples. (2025). Acta Cryst. D81, 587-597.
Categorizing prediction modes within low-pLDDT regions of AlphaFold2 structures: near-predictive, pseudostructure and barbed wire. (2025). Acta Cryst. D81, 558-572.
Off-target structural insights: ArnA and AcrB in bacterial membrane-protein cryo-EM analysis. (2025). Acta Cryst. D81, 545-557.
Q-score as a reliability measure for protein, nucleic acid and small-molecule atomic coordinate models derived from 3DEM maps. (2025). Acta Cryst. D81, 410-422.
A high-resolution data set of fatty acid-binding protein structures. II. Crystallographic overview, ligand classes and binding pose. (2025). Acta Cryst. D81, 436-450.
Structure of the Fab fragment of a humanized 5E5 antibody to a cancer-specific Tn-MUC1 epitope. (2025). Acta Cryst. D81, 223-233.
Leopard-EM: an extensible 2D template-matching package to accelerate in situ structural biology. (2026). Acta Cryst. D82, 30-42.
Likelihood-based interactive local docking into cryo-EM maps in ChimeraX. (2024). Acta Cryst. D80, 588-598.
A high-resolution data set of fatty acid-binding protein structures. I. Dynamics of FABP4 and ligand binding. (2025). Acta Cryst. D81, 423-435.
Structures of α-galactosaminidases from the CAZy GH114 family and homologs defining a new GH191 family of glycosidases. (2025). Acta Cryst. D81, 234-251.
Duplicate entries in the Protein Data Bank: how to detect and handle them. (2025). Acta Cryst. D81, 170-180.
Getting crystals your crystallographer will treasure: a beginner's guide. (2025). Acta Cryst. E81, 895-905.
Practical aspects of teaching a graduate-level small-molecule chemical crystallography course. (2026). Acta Cryst. E82, 107-120.
From crystal structure to 3D printing to virtual reality in the classroom. (2025). Acta Cryst. E81, 889-894.
Syntheses and crystal structures of three triphenylsulfonium halometallate salts of zinc, cadmium and mercury. (2025). Acta Cryst. E81, 358-363.
Synthesis and crystal structure of N-phenyl-2-(phenylsulfanyl)acetamide. (2024). Acta Cryst. E80, 392-395.
Crystal structure of the 1:1 co-crystal 4-(dimethylamino)pyridin-1-ium 8-hydroxyquinoline-5-sulfonate–N,N-dimethylpyridin-4-amine. (2024). Acta Cryst. E80, 840-844.
Crystal structure and Hirshfeld surface analysis of 4-bromo-6-(4-chlorophenyl)-6,7-dihydro-5H-furo[2,3-f]isoindol-5-one. (2025). Acta Cryst. E81, 996-999.
Crystal structures of zinc(II) coordination complexes with isoquinoline N-oxide. (2025). Acta Cryst. E81, 132-139.
Synthesis and crystal structure analysis of substituted bicyclo[3.3.1]nonanones. (2025). Acta Cryst. E81, 405-411.
Syntheses and structures of dinuclear zinc(II) acetate-bridged coordination compounds with the aromatic Schiff base chelators N,N-dimethyl-2-[phenyl(pyridin-2-yl)methylidene]hydrazine-1-carbothioamide and N-ethyl-2-[phenyl(pyridin-2-yl)methylidene]hydrazine-1-carbothioamide. (2025). Acta Cryst. E81, 636-641.
Synthesis, characterization and supramolecular analysis for (E)-3-(pyridin-4-yl)acrylic acid. (2024). Acta Cryst. E80, 388-391.
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Crystal structure of Methanococcus jannaschii dihydroorotase with substrate bound. (2026). Acta Cryst. F82, 23-31.
Triosephosphate isomerase from Fasciola hepatica: high-resolution crystal structure as a drug target. (2025). Acta Cryst. F81, 381-387.
Crystal structure of a short-chain dehydrogenase from Brucella ovis with apo and coenzyme NAD+-bound protomer chains. (2025). Acta Cryst. F81, 487-494.
Structure of the imine reductase from Ajellomyces dermatitidis in three crystal forms. Corrigendum. (2026). Acta Cryst. F82, 41.
The first report of structural analysis of a nucleic acid using crystals grown in space. (2025). Acta Cryst. F81, 95-100.
CryoSift: an accessible and automated CNN-driven tool for cryo-EM 2D class selection. (2025). Acta Cryst. F81, 517-526.
Potential 14-3-3 binding sites in sirtuins reveal extended phosphosite-recognition modes. (2026). Acta Cryst. F82, 32-40.
Structural insights into full-length human fascin1: a target for cancer treatment. (2025). Acta Cryst. F81, 319-331.
LOPAC library screening identifies suramin as a TRIM21 binder with a unique binding mode revealed by crystal structure. (2025). Acta Cryst. F81, 101-107.
Off-target binding of the histone deacetylase inhibitor vorinostat to carbonic anhydrase II and IX. (2025). Acta Cryst. F81, 388-397.
Crystal structure of ATP-dependent DNA ligase from Rhizobium phage vB_RleM_P10VF. (2025). Acta Cryst. F81, 249-254.
High-resolution X-ray structure of Gln143Asn manganese superoxide dismutase captures multiple hydrogen peroxide-binding sites. (2025). Acta Cryst. F81, 467-477.
Bridging length scales in hard materials with ultra-small angle X-ray scattering – a critical review. (2024). IUCrJ 11, 675-694.
X-ray electron density analysis of chemical bonding in permanent magnet Nd2Fe14B. (2025). IUCrJ 12, 658-669.
Phase quantification using deep neural network processing of XRD patterns. (2024). IUCrJ 11, 859-870.
`Mix-it-up': accessible time-resolved cryo-EM on the millisecond timescale. (2025). IUCrJ 12, 710-724.
Testing the limits: serial crystallography using unpatterned fixed targets. (2025). IUCrJ 12, 692-709.
Broadband high-resolution X-ray ptychography system spanning tender to hard X-ray regimes. (2026). IUCrJ 13, 11-18.
Benchmarking quantum chemical methods with X-ray structures via structure-specific restraints. (2025). IUCrJ 12, 472-487.
A survey of crystallographic quality metrics from CIFs in the Cambridge Structural Database. (2025). IUCrJ 12, 647-657.
The master key: structural science in unlocking functional materials advancements. (2024). J. Appl. Cryst. 57, 606-622.
Coherent multiple scattering in small-angle scattering experiments: modeling approximations based on the Born expansion. (2025). J. Appl. Cryst. 58, 1553-1570.
Free tools for crystallographic symmetry handling and visualization. (2024). J. Appl. Cryst. 57, 1618-1639.
The multi-slit very small angle neutron scattering instrument at the China Spallation Neutron Source. (2024). J. Appl. Cryst. 57, 380-391.
RAPID: an ImageJ macro for indexing electron diffraction zone axis spot patterns of cubic materials. (2024). J. Appl. Cryst. 57, 2017-2029.
A reference material for X-ray diffraction line profile analysis. (2025). J. Appl. Cryst. 58, 1764-1777.
Powder diffraction data beyond the pattern: a practical review. (2025). J. Appl. Cryst. 58, 1085-1105.
Determination of the average crystallite size and the crystallite size distribution: the envelope function approach EnvACS. (2024). J. Appl. Cryst. 57, 1466-1476.
Intensity corrections for grazing-incidence X-ray diffraction of thin films using static area detectors. (2025). J. Appl. Cryst. 58, 96-106.
A simple protocol for determining the zone axis direction from selected-area electron diffraction spot patterns of cubic materials. (2024). J. Appl. Cryst. 57, 1263-1269.
XRDlicious: an interactive web-based platform for online calculation of diffraction patterns and radial distribution functions from crystal structures. (2025). J. Appl. Cryst. 58, 1810-1816.
Accounting for instrument resolution in the pair distribution functions obtained from total scattering data using Hermite functions. (2025). J. Appl. Cryst. 58, 1269-1287.
The crystal structure of dypingite: understanding the long-range disorder. (2025). J. Appl. Cryst. 58, 1908-1919.
Exploring humidity effects on polycrystalline human insulin–ligand complexes: preliminary crystallographic insights. (2025). J. Appl. Cryst. 58, 1920-1935.
SUBGROUPS: a computer tool at the Bilbao Crystallographic Server for the study of pseudo-symmetric or distorted structures. (2024). J. Appl. Cryst. 57, 1650-1666.
Optimal ratio or historical convention: the use of methanol–ethanol mixtures as pressure-transmitting mediums. (2025). J. Appl. Cryst. 58, 1967-1977.
Perspectives for infrared beamlines in fourth-generation synchrotron facilities. (2024). J. Synchrotron Rad. 31, 430-431.
Upgrade of the Coherent X-ray Scattering beamline at Pohang Light Source II. (2026). J. Synchrotron Rad. 33, 227-234.
Green upgrading of SPring-8 to produce stable, ultrabrilliant hard X-ray beams. (2024). J. Synchrotron Rad. 31, 1420-1437.
Evolution of macromolecular crystallography beamlines at the Swiss Light Source and SwissFEL. (2025). J. Synchrotron Rad. 32, 1162-1183.
Ion beam figuring for X-ray mirrors: history, state-of-the-art and future prospects. (2024). J. Synchrotron Rad. 31, 655-669.
X-ray absorption spectroscopy of lanmodulin-derived peptides bound to rare earth elements. (2025). J. Synchrotron Rad. 32, 1421-1430.
Synchrotron structural biology at SSRL, the beginning and beyond. (2026). J. Synchrotron Rad. 33, 7-17.
50th anniversary of the Stanford SSRL synchrotron radiation and protein crystallography initiative. (2026). J. Synchrotron Rad. 33, 1-6.
Design and application of an electrochemical cell for operando X-ray diffraction and absorption studies for electrocatalysts. (2025). J. Synchrotron Rad. 32, 1272-1281.
Status of macromolecular crystallography beamlines at SSRF. (2025). J. Synchrotron Rad. 32, 234-245.
Signal-to-noise and spatial resolution in in-line imaging. 2. Phase-contrast tomography. (2025). J. Synchrotron Rad. 32, 1463-1478.
A new framework for X-ray absorption spectroscopy data analysis based on machine learning: XASDAML. (2025). J. Synchrotron Rad. 32, 1244-1256.
Methodological insights into the dip-and-pull X-ray photoelectron spectroscopy technique: analysing electrochemical interfaces under in situ/operando conditions. (2026). J. Synchrotron Rad. 33, 130-141.
Measurements of source emittance and beam coherence properties of the upgraded Advanced Photon Source. (2025). J. Synchrotron Rad. 32, 1152-1161.
2-{[(1S,2S)-1-Hydroxy-1-phenylpropan-2-yl](methyl)amino}-N-(3-methylphenyl)acetamide. (2025). IUCrData 10, x250578.
Dichlorido{(E)-N,N-dimethyl-2-[phenyl(pyridin-2-yl)methylidene]hydrazine-1-carbothioamide}cadmium(II). (2025). IUCrData 10, x250464.
Synchrotron powder X-ray diffraction of a refractory high entropy alloy, Mo0.20Nb0.21Ta0.19V0.20W0.20. (2025). IUCrData 10, x251109.
4-Methyl-N-[2-(2-phenylethynyl)phenyl]-N-(prop-2-yn-1-yl)benzene-1-sulfonamide. (2025). IUCrData 10, x250943.
Foreword to the CommDat special virtual issue on the raw diffraction data workshop and microsymposia at IUCr2023. (2025). IUCrData 10, x250709.
2-Fluorobenzyl (Z)-2-(5-chloro-2-oxoindolin-3-ylidene)hydrazine-1-carbodithioate dimethyl sulfoxide monosolvate. (2025). IUCrData 10, x250849.
Tris(2,2′-bipyridine)iron(II) tris(dicyanomethylidene)methanediide. (2025). IUCrData 10, x250503.
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