most read articles
These are the most read articles in the last six months.
The structure of sodium thymonucleate fibres. I. The influence of water content. (1953). Acta Cryst. 6, 673-677.
The structure of sodium thymonucleate fibres. II. The cylindrically symmetrical Patterson function. (1953). Acta Cryst. 6, 678-685.
The scattering of electrons by atoms and crystals. I. A new theoretical approach. (1957). Acta Cryst. 10, 609-619.
Angle calculations for 3- and 4-circle X-ray and neutron diffractometers. (1967). Acta Cryst. 22, 457-464.
Polymorphism in potassium niobate, sodium niobate, and other ABO3 compounds. (1951). Acta Cryst. 4, 353-362.
The structure of synthetic polypeptides. I. The transform of atoms on a helix. (1952). Acta Cryst. 5, 581-586.
Rotatory power and other optical properties of certain liquid crystals. (1951). Acta Cryst. 4, 219-226.
Complex alloy structures regarded as sphere packings. I. Definitions and basic principles. (1958). Acta Cryst. 11, 184-190.
Machine learning for classifying narrow-beam electron diffraction data. (2023). Acta Cryst. A79, 360-368.
Fourier-synthesis approach for static charge-density reconstruction from theoretical structure factors of CaB6. (2023). Acta Cryst. A79, 246-272.
Efficient structure-factor modeling for crystals with multiple components. (2023). Acta Cryst. A79, 345-352.
On the combinatorics of crystal structures. II. Number of Wyckoff sequences of a given subdivision complexity. (2023). Acta Cryst. A79, 280-294.
Crystal diffraction prediction and partiality estimation using Gaussian basis functions. (2023). Acta Cryst. A79, 145-162.
Optimal estimated standard uncertainties of reflection intensities for kinematical refinement from 3D electron diffraction data. (2023). Acta Cryst. A79, 427-439.
Crystallography of homophase twisted bilayers: coincidence, union lattices and space groups. (2023). Acta Cryst. A79, 301-317.
Crystal search – feasibility study of a real-time deep learning process for crystallization well images. (2023). Acta Cryst. A79, 331-338.
Identification of a coherent twin relationship from high-resolution reciprocal-space maps. (2022). Acta Cryst. A78, 158-171.
Towards a machine-readable literature: finding relevant papers based on an uploaded powder diffraction pattern. (2022). Acta Cryst. A78, 386-394.
Dynamical diffraction of high-energy electrons by light-atom structures: a multiple forward scattering interpretation. (2023). Acta Cryst. A79, 180-191.
Analysis of diffuse scattering in electron diffraction data for the crystal structure determination of Pigment Orange 13, C32H24Cl2N8O2. (2023). Acta Cryst. B79, 122-137.
Exploring the thermal behaviour of the solvated structures of nifedipine. (2023). Acta Cryst. B79, 164-175.
Incommensurate structures and radiation damage in Rb2V3O8 and K2V3O8 mixed-valence vanadate fresnoites. (2023). Acta Cryst. B79, 104-113.
Role of lone-pair electron localization in temperature-induced phase transitions in mimetite. (2022). Acta Cryst. B78, 618-626.
A fresh view on the structure and twinning of owyheeite, a rod-polytype and twofold superstructure. (2023). Acta Cryst. B79, 271-280.
Asymmetric rotations and dimerization driven by normal to modulated phase transition in 4-biphenylcarboxy coupled L-phenylalaninate. (2023). Acta Cryst. B79, 148-156.
Structure correlation and dynamics in crystals – a tribute to Hans-Beat Bürgi. (2022). Acta Cryst. B78, 281-282.
Design of a series of cocrystals featuring isoniazid modified with diacetone alcohol. (2022). Acta Cryst. B78, 857-867.
Psilocybin: crystal structure solutions enable phase analysis of prior art and recently patented examples. (2022). Acta Cryst. C78, 36-55.
Halogen bonds, chalcogen bonds, pnictogen bonds, tetrel bonds and other σ-hole interactions: a snapshot of current progress. (2023). Acta Cryst. C79, 204-216.
Geometric isomers of dichloridoiron(III) complexes of CTMC (5,7,12,14-tetramethyl-1,4,8,11-tetraazacyclotetradecane). (2022). Acta Cryst. C78, 507-514.
Pyridine-4-thiol as halogen-bond (HaB) acceptor: influence of the noncovalent interaction in its reactivity. (2023). Acta Cryst. C79, 112-117.
Chalcogen bonding in the solid-state structures of 1,3-bis(benzimidazoliumyl)benzene-based chalcogen-bonding donors. (2023). Acta Cryst. C79, 26-35.
Crystal structure and characterization of the sulfamethazine–piperidine salt. (2023). Acta Cryst. C79, 71-76.
Synthesis and crystal structures of new chiral 3-amino-2H-azirines and the Pd complex of one of them. (2023). Acta Cryst. C79, 104-111.
Clarifying the structures of imidines: using crystallographic characterization to identify tautomers and localized systems of π-bonding. (2023). Acta Cryst. C79, 133-141.
Complexes of 2,4,6-trihydroxybenzoic acid: effects of intramolecular hydrogen bonding on ligand geometry and metal binding modes. (2022). Acta Cryst. C78, 653-670.
The heterometallic one-dimensional solvated coordination polymer [NiPt2Cl6(TRIP-Py)4]n. (2023). Acta Cryst. C79, 118-124.
High-resolution structural study on pyridin-3-yl ebselen and its N-methylated tosylate and iodide derivatives. (2023). Acta Cryst. C79, 43-51.
Crystal structure of potassium chloride monohydrate: water intercalation into the B1 structure of KCl under high pressure. (2022). Acta Cryst. C78, 749-754.
more ...
The CCP4 suite: integrative software for macromolecular crystallography. (2023). Acta Cryst. D79, 449-461.
Structural basis of regioselective tryptophan dibromination by the single-component flavin-dependent halogenase AetF. (2023). Acta Cryst. D79, 596-609.
FLEXR: automated multi-conformer model building using electron-density map sampling. (2023). Acta Cryst. D79, 354-367.
Structural and functional characterization of a multi-domain GH92 α-1,2-mannosidase from Neobacillus novalis. (2023). Acta Cryst. D79, 387-400.
Near-atomic resolution reconstructions from in situ revitrified cryo samples. (2023). Acta Cryst. D79, 473-478.
LifeSoaks: a tool for analyzing solvent channels in protein crystals and obstacles for soaking experiments. (2023). Acta Cryst. D79, 837-856.
Structural insight into an anti-BRIL Fab as a G-protein-coupled receptor crystallization chaperone. (2023). Acta Cryst. D79, 435-441.
Conformation-dependent ligand hot spots in the spliceosomal RNA helicase BRR2. (2023). Acta Cryst. D79, 304-317.
Cryo-EM single-particle structure refinement and map calculation using Servalcat. (2021). Acta Cryst. D77, 1282-1291.
Golden oldies: ten crystallography articles that we think must be read. (2023). Acta Cryst. E79, 580-591.
Electron crystallography and dedicated electron-diffraction instrumentation. (2023). Acta Cryst. E79, 410-422.
Crystal and molecular structure of 4-fluoro-1H-pyrazole at 150 K. (2023). Acta Cryst. E79, 428-431.
A mixed phosphine sulfide/selenide structure as an instructional example for how to evaluate the quality of a model. (2023). Acta Cryst. E79, 246-253.
Syntheses, crystal structures and Hirshfeld surface analyses of four molecular salts of amitriptynol. (2023). Acta Cryst. E79, 451-457.
Synthesis and structure of 4-hydroxy-N-isopropyltryptamine (4-HO-NiPT) and its precursors. (2023). Acta Cryst. E79, 280-286.
Syntheses and crystal structures of three salts of 1-(4-nitrophenyl)piperazine. (2023). Acta Cryst. E79, 423-427.
Classroom experiments with artificial sweeteners: growing single crystals and simple calorimetry. (2022). Acta Cryst. E78, 874-879.
Foreword to the special virtual issue in tribute to Jerry P. Jasinski. (2022). Acta Cryst. E78, 1143-1144.
Syntheses, crystal structures and Hirshfeld surface analysis of three salts of 1-(4-nitrophenyl)piperazine. (2023). Acta Cryst. E79, 373-379.
more ...
Structure of the imine reductase from Ajellomyces dermatitidis in three crystal forms. (2023). Acta Cryst. F79, 224-230.
Crystal structure of MbnF: an NADPH-dependent flavin monooxygenase from Methylocystis strain SB2. (2023). Acta Cryst. F79, 111-118.
Monomeric crystal structure of the vaccine carrier protein CRM197 and implications for vaccine development. (2023). Acta Cryst. F79, 82-86.
Crystal structure of an inorganic pyrophosphatase from Chlamydia trachomatis D/UW-3/Cx. (2022). Acta Cryst. F78, 135-142.
Structural and biophysical characterization of the Borna disease virus 1 phosphoprotein. (2023). Acta Cryst. F79, 51-60.
The catalytic domains of Streptococcus mutans glucosyltransferases: a structural analysis. (2023). Acta Cryst. F79, 119-127.
Introduction to the virtual thematic issue on room-temperature biological crystallography. (2023). Acta Cryst. F79, 79-81.
Structure of the Monkeypox virus profilin-like protein A42R reveals potential functional differences from cellular profilins. (2022). Acta Cryst. F78, 371-377.
Room-temperature serial synchrotron crystallography of the human phosphatase PTP1B. (2023). Acta Cryst. F79, 23-30.
Crystal structure of the Rho-associated coiled-coil kinase 2 inhibitor belumosudil bound to CK2α. (2022). Acta Cryst. F78, 348-353.
Tetracycline-modifying enzyme SmTetX from Stenotrophomonas maltophilia. (2023). Acta Cryst. F79, 180-192.
Erwinia tasmaniensis levansucrase shows enantiomer selection for (S)-1,2,4-butanetriol. (2022). Acta Cryst. F78, 289-296.
The structure of a tautomerase superfamily member linked to the type VI secretion system of Acinetobacter baumannii. (2023). Acta Cryst. F79, 8-16.
Classification of perovskite structural types with dynamical octahedral tilting. (2023). IUCrJ 10, 309-320.
Fast extraction of three-dimensional nanofiber orientation from WAXD patterns using machine learning. (2023). IUCrJ 10, 297-308.
`Cryo-EM': electron cryomicroscopy, cryo electron microscopy or something else?. (2023). IUCrJ 10, 519-520.
The crystal structure of the killer fibre erionite from Tuzköy (Cappadocia, Turkey). (2023). IUCrJ 10, 397-410.
Protein-to-structure pipeline for ambient-temperature in situ crystallography at VMXi. (2023). IUCrJ 10, 420-429.
JINXED: just in time crystallization for easy structure determination of biological macromolecules. (2023). IUCrJ 10, 253-260.
Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions. (2022). IUCrJ 9, 286-297.
Low-density preference of the ambient and high-pressure polymorphs of DL-menthol. (2023). IUCrJ 10, 341-351.
more ...
An inclined detector geometry for improved X-ray total scattering measurements. (2023). J. Appl. Cryst. 56, 510-518.
Janus structures of SMoSe and SVSe compositions with low enthalpy and unusual crystal chemistry. (2022). J. Appl. Cryst. 55, 1324-1335.
X-ray powder diffraction in education. Part II. Intensity of a powder pattern. (2023). J. Appl. Cryst. 56, 834-853.
A reactor for time-resolved X-ray studies of nucleation and growth during solvothermal synthesis. (2023). J. Appl. Cryst. 56, 581-588.
In situ neutron diffraction to investigate the solid-state synthesis of Ni-rich cathode materials. (2023). J. Appl. Cryst. 56, 1066-1075.
Modelling the structural disorder in trigonal-prismatic coordinated transition metal dichalcogenides. (2023). J. Appl. Cryst. 56, 502-509.
Energy-dispersive X-ray stress analysis under geometric constraints: exploiting the material's inherent anisotropy. (2023). J. Appl. Cryst. 56, 526-538.
Crystal bending in triple-Laue X-ray interferometry. Part I. Theory. (2023). J. Appl. Cryst. 56, 707-715.
CrystalMELA: a new crystallographic machine learning platform for crystal system determination. (2023). J. Appl. Cryst. 56, 409-419.
A simple goniometer-compatible flow cell for serial synchrotron X-ray crystallography. (2023). J. Appl. Cryst. 56, 449-460.
Small-angle X-ray microdiffraction from fibrils embedded in tissue thin sections. (2022). J. Appl. Cryst. 55, 1562-1571.
Specimen-displacement correction for powder X-ray diffraction in Debye–Scherrer geometry with a flat area detector. (2023). J. Appl. Cryst. 56, 160-166.
Bragg coherent diffraction imaging with the CITIUS charge-integrating detector. (2023). J. Appl. Cryst. 56, 1032-1037.
Machine learning for scattering data: strategies, perspectives and applications to surface scattering. (2023). J. Appl. Cryst. 56, 3-11.
FlexPES: a versatile soft X-ray beamline at MAX IV Laboratory. (2023). J. Synchrotron Rad. 30, 831-840.
Counting on the future: fast charge-integrating detectors for X-ray nanoimaging. (2023). J. Synchrotron Rad. 30, 859-860.
Assessing an aqueous flow cell designed for in situ crystal growth under X-ray nanotomography and effects of radiolysis products. (2023). J. Synchrotron Rad. 30, 634-642.
Fast, automated, continuous energy scans for experimental phasing at the BioMAX beamline. (2023). J. Synchrotron Rad. 30, 885-894.
SDU – software for high-throughput automated data collection at the Swiss Light Source. (2023). J. Synchrotron Rad. 30, 538-545.
High-pressure single-crystal diffraction at the Australian Synchrotron. (2023). J. Synchrotron Rad. 30, 841-846.
A small-angle X-ray scattering study of red blood cells in continuous flow. (2023). J. Synchrotron Rad. 30, 582-590.
A MHz X-ray diffraction set-up for dynamic compression experiments in the diamond anvil cell. (2023). J. Synchrotron Rad. 30, 671-685.
EIGER2 hybrid-photon-counting X-ray detectors for advanced synchrotron diffraction experiments. (2023). J. Synchrotron Rad. 30, 723-738.
Photon-shot-noise-limited transient absorption soft X-ray spectroscopy at the European XFEL. (2023). J. Synchrotron Rad. 30, 284-300.
Soft X-ray spectro-ptychography of boron nitride nanobamboos, carbon nanotubes and permalloy nanorods. (2023). J. Synchrotron Rad. 30, 746-757.
Average and statistical properties of coherent radiation from steady-state microbunching. (2023). J. Synchrotron Rad. 30, 35-50.
A new satellite of manganese revealed by extended-range high-energy-resolution fluorescence detection. (2023). J. Synchrotron Rad. 30, 605-612.
Single-pulse characterization of the focal spot size of X-ray free-electron lasers using coherent diffraction imaging. (2023). J. Synchrotron Rad. 30, 505-513.
[3-Methoxy-5-(methoxycarbonyl)isoxazol-4-yl](4-methoxyphenyl)iodonium 2,2,2-trifluoroacetate. (2023). IUCrData 8, x230300.
Cyclohexane plastic phase I: single-crystal diffraction images and new structural model. (2023). IUCrData 8, x230114.
Synthesis and crystal structure of a PdII complex of ortho-xylylenebis(pyridyltriazole). (2023). IUCrData 8, x230362.
Tetrakis(triethylenediamin-1-ium) dodeca-μ2-chlorido-hexakis(thiocyanato-κN)hexa-octahedro-niobate. (2023). IUCrData 8, x230398.