most read articles
These are the most read articles in the last six months.
Diffraction effects observed in diamond in the vicinity of the collimated incident beam. (1952). Acta Cryst. 5, 146-147.
The structure of sodium dithionite and the nature of the dithionite ion. (1956). Acta Cryst. 9, 579-586.
The integral transformations of atomic scattering factors and their applications. (1957). Acta Cryst. 10, 291-303.
The crystal structure of mercury tetrathiocyanate-copper diethylenediamine, [Hg(SCN)4][Cu(en)2]. (1953). Acta Cryst. 6, 651-657.
Crystal structures with a chabazite framework. I. Dehydrated Ca-chabazite. (1962). Acta Cryst. 15, 835-845.
The structure of the centrosymmetric isomer of 1:2:3:4-tetraphenylcyclobutane. (1949). Acta Cryst. 2, 1-13.
Unit cell and space group of uranyl acetate dihydrate, UO2(CH3COO)2.2H2O. (1959). Acta Cryst. 12, 821-822.
Etude par diffraction de rayons X de complexes d'halogénures alcalins et de molécules organiques. IV. Structure de NaBr.2CH3CONH2. (1966). Acta Cryst. 20, 482-489.
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The single-atom R1: a new optimization method to solve crystal structures. (2024). Acta Cryst. A80, 237-248.
Machine learning for the classification of serial electron diffraction patterns: synthetic data. (2025). Acta Cryst. A81, 397-400.
Atomic pair distribution functions from textured polycrystalline samples: fundamentals. (2025). Acta Cryst. A81, 412-418.
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.
Crystallography of quasiperiodic moiré patterns in homophase twisted bilayers. (2025). Acta Cryst. A81, 94-106.
Instrumental broadening and the radial pair distribution function with 2D detectors. (2024). Acta Cryst. A80, 358-366.
ClusterFinder: a fast tool to find cluster structures from pair distribution function data. (2024). Acta Cryst. A80, 213-220.
Can Z, the number of formula units per unit cell, be a fraction? A report of the IUCr Commission on Crystallographic Nomenclature. (2025). Acta Cryst. A81, 405-408.
The phase-seeding method for solving non-centrosymmetric crystal structures: a challenge for artificial intelligence. (2025). Acta Cryst. A81, 188-201.
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.
A linear/quadratic order parameter coupling description of the Verwey transition in magnetite, Fe3O4. (2025). Acta Cryst. B81, 427-436.
The varying temperature- and pressure-induced phase transition pathways in hybrid improper ferroelectric Sr3Sn2O7. (2025). Acta Cryst. B81, 318-324.
Structures of phosphonitrides in light of the extended Zintl–Klemm concept. (2025). Acta Cryst. B81, 378-394.
EuPdSn2: magnetic structures in view of resonant X-ray Bragg diffraction. (2025). Acta Cryst. B81, 440-444.
Electric charge and salting in/out effects on glucagon's dipole moments and polarizabilities using the GruPol database. (2025). Acta Cryst. B81, 192-201.
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How to use DIALS to process chemical crystallography 3D ED rotation data from pixel array detectors. (2025). Acta Cryst. C81, 1-13.
Fast event-based electron counting for small-molecule structure determination by MicroED. (2025). Acta Cryst. C81, 116-130.
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.
Synthesis, structure and blue-light emission of a zero-dimensional zinc halide with the 4-(4-chlorophenyl)pyridinium cation. (2025). Acta Cryst. C81, 462-466.
The cleavage of indinavir sulfate: synthesis and characterization of a cis-1-amino-2-indanol salt. (2025). Acta Cryst. C81, 497-503.
Concomitant colour polymorphs of (Z)-N-(4-fluorophenyl)-2-oxopropanehydrazonoyl chloride. (2025). Acta Cryst. C81, 481-487.
Structure of L-arginine and detection of trace DL-arginine by 3D ED. (2025). Acta Cryst. C81, 391-396.
The disordered structure of sparsentan: energy calculations for competing chain conformations. (2025). Acta Cryst. C81, 530-538.
Probabilistic single-particle cryo-EM ab initio 3D reconstruction in SIMPLE. (2025). Acta Cryst. D81, 396-409.
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. III. Unexpectedly high occurrence of wrong ligands. (2025). Acta Cryst. D81, 451-464.
Structural dynamics of IDR interactions in human SFPQ and implications for liquid–liquid phase separation. (2025). Acta Cryst. D81, 357-379.
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.
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.
A high-resolution data set of fatty acid-binding protein structures. I. Dynamics of FABP4 and ligand binding. (2025). Acta Cryst. D81, 423-435.
Off-target structural insights: ArnA and AcrB in bacterial membrane-protein cryo-EM analysis. (2025). Acta Cryst. D81, 545-557.
STOPGAP: an open-source package for template matching, subtomogram alignment and classification. (2024). Acta Cryst. D80, 336-349.
Enhanced capabilities for multi-crystal data collection based on double mesh scans. (2025). Acta Cryst. D81, 344-356.
Understanding domain swapping in the c-Src SH3 domain through hinge-loop mutagenesis. (2025). Acta Cryst. D81, 492-510.
Structure of the Fab fragment of a humanized 5E5 antibody to a cancer-specific Tn-MUC1 epitope. (2025). Acta Cryst. D81, 223-233.
Getting crystals your crystallographer will treasure: a beginner's guide. (2025). Acta Cryst. E81, 895-905.
Crystal structures of zinc(II) coordination complexes with isoquinoline N-oxide. (2025). Acta Cryst. E81, 132-139.
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, crystal structure and Hirshfeld surface analysis of 2-azido-N-(2,6-dimethylphenyl)acetamide. (2025). Acta Cryst. E81, 627-631.
Synthesis and crystal structure analysis of substituted bicyclo[3.3.1]nonanones. (2025). Acta Cryst. E81, 405-411.
Synthesis and crystal structures of five fluorinated diphenidine derivatives. (2025). Acta Cryst. E81, 229-234.
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.
Syntheses and crystal structures of three triphenylsulfonium halometallate salts of zinc, cadmium and mercury. (2025). Acta Cryst. E81, 358-363.
Crystal structures of ten phosphane chalcogenide complexes of gold(III) chloride and bromide. (2024). Acta Cryst. E80, 355-369.
Synthesis, crystal structure and Hirshfeld surface analysis of 5-methyl-2-[(1,3-thiazol-2-yl)sulfanyl]-1,3,4-thiadiazole. (2025). Acta Cryst. E81, 569-572.
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Nucleotide-bound crystal structures of the SARS-CoV-2 helicase NSP13. (2025). Acta Cryst. F81, 338-347.
Crystal structures of Escherichia coli glucokinase and insights into phosphate binding. (2025). Acta Cryst. F81, 332-337.
Structures of Listeria monocytogenes MenD in ThDP-bound and in-crystallo captured intermediate I-bound forms. (2025). Acta Cryst. F81, 348-357.
Off-target binding of the histone deacetylase inhibitor vorinostat to carbonic anhydrase II and IX. (2025). Acta Cryst. F81, 388-397.
The structure of a family 168 glycoside hydrolase from the marine bacterium Muricauda eckloniae. (2025). Acta Cryst. F81, 281-286.
Crystal structure of the sucrose phosphorylase from Alteromonas mediterranea shows a loop transition in the active site. (2025). Acta Cryst. F81, 306-310.
Triosephosphate isomerase from Fasciola hepatica: high-resolution crystal structure as a drug target. (2025). Acta Cryst. F81, 381-387.
Crystal structure of the folded domains of Xrs2 from Saccharomyces cerevisiae. (2025). Acta Cryst. F81, 365-373.
Structural insights into full-length human fascin1: a target for cancer treatment. (2025). Acta Cryst. F81, 319-331.
PERC: a suite of software tools for the curation of cryoEM data with application to simulation, modeling and machine learning. (2025). Acta Cryst. F81, 441-450.
Crystal structure of a seven-substitution mutant of hydroxynitrile lyase from rubber tree. (2025). Acta Cryst. F81, 398-405.
CryoSift: an accessible and automated CNN-driven tool for cryo-EM 2D class selection. (2025). Acta Cryst. F81, 517-526.
Bridging length scales in hard materials with ultra-small angle X-ray scattering – a critical review. (2024). IUCrJ 11, 675-694.
Benchmarking quantum chemical methods with X-ray structures via structure-specific restraints. (2025). IUCrJ 12, 472-487.
Phase quantification using deep neural network processing of XRD patterns. (2024). IUCrJ 11, 859-870.
Prospects for coherent X-ray diffraction imaging at fourth-generation synchrotron sources. (2025). IUCrJ 12, 280-287.
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The master key: structural science in unlocking functional materials advancements. (2024). J. Appl. Cryst. 57, 606-622.
Powder diffraction data beyond the pattern: a practical review. (2025). J. Appl. Cryst. 58, 1085-1105.
Free tools for crystallographic symmetry handling and visualization. (2024). J. Appl. Cryst. 57, 1618-1639.
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.
Determination of the average crystallite size and the crystallite size distribution: the envelope function approach EnvACS. (2024). J. Appl. Cryst. 57, 1466-1476.
A reference material for X-ray diffraction line profile analysis. (2025). J. Appl. Cryst. 58, 1764-1777.
Pydidas: a tool for automated X-ray diffraction data analysis. (2025). J. Appl. Cryst. 58, 1476-1485.
On the use of beam precession for serial electron crystallography. (2025). J. Appl. Cryst. 58, 1249-1260.
A model for out-of-phase boundary induced X-ray diffraction peak profile changes in Aurivillius oxide thin films. (2025). J. Appl. Cryst. 58, 1191-1204.
A comparison of microcrystal electron diffraction and X-ray powder diffraction for the structural analysis of metal–organic frameworks. (2025). J. Appl. Cryst. 58, 398-411.
Small-angle scattering studies on diverse peptide-based nanotube and helical ribbon structures reveal distinct form and structure factors. (2025). J. Appl. Cryst. 58, 1311-1321.
Accounting for instrument resolution in the pair distribution functions obtained from total scattering data using Hermite functions. (2025). J. Appl. Cryst. 58, 1269-1287.
Coherent multiple scattering in small-angle scattering experiments: modeling approximations based on the Born expansion. (2025). J. Appl. Cryst. 58, 1553-1570.
A SAXS/WAXD beamline with laboratory SAXS apparatus at NanoTerasu. (2025). J. Appl. Cryst. 58, 927-933.
Differentiating the solution structures and stability of transthyretin tetramer complexed with tolcapone and tafamidis using SEC-SWAXS and NMR. (2025). J. Appl. Cryst. 58, 1373-1383.
Perspectives for infrared beamlines in fourth-generation synchrotron facilities. (2024). J. Synchrotron Rad. 31, 430-431.
Evolution of macromolecular crystallography beamlines at the Swiss Light Source and SwissFEL. (2025). J. Synchrotron Rad. 32, 1162-1183.
Green upgrading of SPring-8 to produce stable, ultrabrilliant hard X-ray beams. (2024). J. Synchrotron Rad. 31, 1420-1437.
Dispersive X-ray absorption spectroscopy using independent grazing-incidence focusing and convexly bent Bragg-crystal dispersing optics. (2025). J. Synchrotron Rad. 32, 1068-1084.
A new framework for X-ray absorption spectroscopy data analysis based on machine learning: XASDAML. (2025). J. Synchrotron Rad. 32, 1244-1256.
Measurements of source emittance and beam coherence properties of the upgraded Advanced Photon Source. (2025). J. Synchrotron Rad. 32, 1152-1161.
Achieving nanosecond time resolution with a two-dimensional X-ray detector. (2025). J. Synchrotron Rad. 32, 1220-1227.
The 10 m collimated Rowland spectrometer at the MAX IV Veritas beamline. (2025). J. Synchrotron Rad. 32, 1328-1345.
Design and application of an electrochemical cell for operando X-ray diffraction and absorption studies for electrocatalysts. (2025). J. Synchrotron Rad. 32, 1272-1281.
XASDB: a new database of experimental interactive X-ray absorption spectra. (2025). J. Synchrotron Rad. 32, 1265-1271.
ALS-ENABLE: creating synergy and opportunity at the Advanced Light Source synchrotron structural biology beamlines. (2025). J. Synchrotron Rad. 32, 1059-1067.
Conceptual design of the energy-switchable storage ring as a high-brilliance light source over a wide wavelength range. (2025). J. Synchrotron Rad. 32, 1143-1151.
Eikonal Phase Retrieval: unleashing the potential of fourth-generation sources for enhanced propagation-based tomography on biological samples. (2025). J. Synchrotron Rad. 32, 1291-1301.
X-ray fluorescence holography under high-pressure conditions. (2025). J. Synchrotron Rad. 32, 1302-1309.
Dichlorido{(E)-N,N-dimethyl-2-[phenyl(pyridin-2-yl)methylidene]hydrazine-1-carbothioamide}cadmium(II). (2025). IUCrData 10, x250464.
tert-Butyl [(4-fluoro-3-isopropoxyisoxazol-5-yl)methyl](phenylsulfonyl)carbamate. (2025). IUCrData 10, x250385.
2-{[(1S,2S)-1-Hydroxy-1-phenylpropan-2-yl](methyl)amino}-N-(3-methylphenyl)acetamide. (2025). IUCrData 10, x250578.
(Nitrito-κO)(nitro-κN)(nitrosyl-κN)bis(triphenylphosphane-κP)rhodium(III). (2025). IUCrData 10, x250598.
Tris(2,2′-bipyridine)iron(II) tris(dicyanomethylidene)methanediide. (2025). IUCrData 10, x250503.
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