most read articles

These are the most read articles in the last six months.

Deep learning applications in protein crystallography. S. Matinyan, P. Filipcik & J. P. Abrahams (2024). Acta Cryst. A80, 1-17. 
Electron density and thermal motion of diamond at elevated temperatures. J. Beyer, T. B. E. Grønbech, J. Zhang, K. Kato & B. Brummerstedt Iversen (2023). Acta Cryst. A79, 41-50. 
Instrumental broadening and the radial pair distribution function with 2D detectors. D. Chernyshov, K. P. Marshall, E. T. North, C. A. Fuller & D. S. Wragg (2024). Acta Cryst. A80, 358-366. 
A phase retrieval algorithm for triply periodic minimal surface like structures. T. Oka (2023). Acta Cryst. A79, 51-58. 
Machine learning in crystallography and structural science. S. J. L. Billinge & Th. Proffen (2024). Acta Cryst. A80, 139-145. 
Universal simulation of absorption effects for X-ray diffraction in reflection geometry. J. Dallmann, J. Graetz & R. Hock (2024). Acta Cryst. A80, 315-328. 
Bond topology of chain, ribbon and tube silicates. Part II. Geometrical analysis of infinite 1D arrangements of (TO4)n− tetrahedra. M. C. Day, F. C. Hawthorne & A. Rostami (2024). Acta Cryst. A80, 258-281. 
Crystallography of homophase twisted bilayers: coincidence, union lattices and space groups. D. Gratias & M. Quiquandon (2023). Acta Cryst. A79, 301-317. 
ClusterFinder: a fast tool to find cluster structures from pair distribution function data. A. S. Anker, U. Friis-Jensen, F. L. Johansen, S. J. L. Billinge & K. M. Ø. Jensen (2024). Acta Cryst. A80, 213-220. 
The single-atom R1: a new optimization method to solve crystal structures. X. Zhang & J. P. Donahue (2024). Acta Cryst. A80, 237-248. 
GraphT–T (V1.0Beta), a program for embedding and visualizing periodic graphs in 3D Euclidean space. M. C. Day, A. Rostami & F. C. Hawthorne (2024). Acta Cryst. A80, 282-292. 
Permissible domain walls in monoclinic ferroelectrics. Part II. The case of MC phases. I. Biran & S. Gorfman (2024). Acta Cryst. A80, 293-304. 
Parameterized absorptive electron scattering factors. M. Thomas, A. Cleverley & R. Beanland (2024). Acta Cryst. A80, 146-150. 
Dieter Schwarzenbach (1936–2024). G. Chapuis (2024). Acta Cryst. A80, 391-393. 
Automated selection of nanoparticle models for small-angle X-ray scattering data analysis using machine learning. N. Monge, A. Deschamps & M.-R. Amini (2024). Acta Cryst. A80, 202-212. 
Machine learning for classifying narrow-beam electron diffraction data. S. Matinyan, B. Demir, P. Filipcik, J. P. Abrahams & E. van Genderen (2023). Acta Cryst. A79, 360-368. 
Dynamic tilting in perovskites. C. M. Handley, R. E. Ward, C. L. Freeman, I. M. Reaney, D. C. Sinclair & J. H. Harding (2023). Acta Cryst. A79, 163-170. 
N-representable one-electron reduced density matrix reconstruction with frozen core electrons. S. Yu & J.-M. Gillet (2024). Acta Cryst. A80, 249-257. 
New benchmarks in the modelling of X-ray atomic form factors. G. Thorkildsen (2023). Acta Cryst. A79, 318-330. 
Molecular replacement for small-molecule crystal structure determination from X-ray and electron diffraction data with reduced resolution. T. E. Gorelik, P. Lukat, C. Kleeberg, W. Blankenfeldt & R. Mueller (2023). Acta Cryst. A79, 504-514. 
Small-angle scattering tensor tomography algorithm for robust reconstruction of complex textures. L. C. Nielsen, P. Erhart, M. Guizar-Sicairos & M. Liebi (2023). Acta Cryst. A79, 515-526. 
TERSE/PROLIX (TRPX) – a new algorithm for fast and lossless compression and decompression of diffraction and cryo-EM data. S. Matinyan & J. P. Abrahams (2023). Acta Cryst. A79, 536-541. 
Superstructure reflections in tilted perovskites. R. Beanland & R. Sjökvist (2024). Acta Cryst. A80, 387-390. 
Geographic style maps for two-dimensional lattices. M. Bright, A. I. Cooper & V. Kurlin (2023). Acta Cryst. A79, 1-13. 
Crystal search – feasibility study of a real-time deep learning process for crystallization well images. Y. Thielmann, T. Luft, N. Zint & J. Koepke (2023). Acta Cryst. A79, 331-338. 
Algorithms for magnetic symmetry operation search and identification of magnetic space group from magnetic crystal structure. K. Shinohara, A. Togo & I. Tanaka (2023). Acta Cryst. A79, 390-398. 
On the combinatorics of crystal structures. II. Number of Wyckoff sequences of a given subdivision complexity. W. Hornfeck & K. Červený (2023). Acta Cryst. A79, 280-294. 
Ideas of lattice-basis reduction theory for error-stable Bravais lattice determination and ab initio indexing. R. Oishi-Tomiyasu (2024). Acta Cryst. A80, 339-350. 
Modelling dynamical 3D electron diffraction intensities. I. A scattering cluster algorithm. B. Mendis (2024). Acta Cryst. A80, 167-177. 
Crystal diffraction prediction and partiality estimation using Gaussian basis functions. W. Brehm, T. White & H. N. Chapman (2023). Acta Cryst. A79, 145-162. 
Optimal estimated standard uncertainties of reflection intensities for kinematical refinement from 3D electron diffraction data. M. Khouchen, P. B. Klar, H. Chintakindi, A. Suresh & L. Palatinus (2023). Acta Cryst. A79, 427-439. 
Permissible domain walls in monoclinic MAB ferroelectric phases. I. Biran & S. Gorfman (2024). Acta Cryst. A80, 112-128. 
Development of an innovative diffraction scattering theory of X-rays and electrons in imperfect crystals. F. N. Chukhovskii (2024). Acta Cryst. A80, 305-314. 
Analytical models representing X-ray form factors of ions. G. Thorkildsen (2024). Acta Cryst. A80, 129-136. 
Modelling dynamical 3D electron diffraction intensities. II. The role of inelastic scattering. B. Mendis (2024). Acta Cryst. A80, 178-188. 
On uniform edge-n-colorings of tilings. A. K. Abila, M. L. A. De Las Peñas & M. Tomenes (2024). Acta Cryst. A80, 367-378. 
Efficient structure-factor modeling for crystals with multiple components. P. V. Afonine, P. D. Adams & A. G. Urzhumtsev (2023). Acta Cryst. A79, 345-352. 
Structure of face-centred icosahedral quasicrystals with cluster close packing. T. Yamada, H. Takakura & A. Yamamoto (2024). Acta Cryst. A80, https://doi.org/10.1107/S2053273324008568. 
Universal parameters of bulk-solvent masks. A. Urzhumtsev, P. Adams & P. Afonine (2024). Acta Cryst. A80, 194-201. 
Professor Dr Hendrik (Henk) Schenk (1939–2023). C. A. Reiss (2024). Acta Cryst. A80, 137-138. 
Periodic diffraction from an aperiodic monohedral tiling – the Spectre tiling. Addendum. C. S. Kaplan, M. O'Keeffe & M. M. J. Treacy (2024). Acta Cryst. A80, https://doi.org/10.1107/S2053273324008945. 
Patch frequencies in rhombic Penrose tilings. J. Mazáč (2023). Acta Cryst. A79, 399-411. 
Influence of device configuration and noise on a machine learning predictor for the selection of nanoparticle small-angle X-ray scattering models. N. Monge, M.-R. Amini & A. Deschamps (2024). Acta Cryst. A80, https://doi.org/10.1107/S2053273324007988. 
Indexing neutron transmission spectra of a rotating crystal. A. Morawiec (2024). Acta Cryst. A80, 379-386. 
Fourier-synthesis approach for static charge-density reconstruction from theoretical structure factors of CaB6. C. Bergner, Y. Grin & F. R. Wagner (2023). Acta Cryst. A79, 246-272. 
The description of octahedral crystals using five parameters. D. G. Stepenshchikov & A. D. Pavlushin (2024). Acta Cryst. A80, 351-354. 
Site-occupancy factors in the Debye scattering equation. A theoretical discussion on significance and correctness. F. Ferri, M. C. Bossuto, P. Anzini, A. Cervellino, A. Guagliardi, F. Bertolotti & N. Masciocchi (2023). Acta Cryst. A79, 587-596. 
Uri Shmueli (1928–2023). C. P. Brock (2023). Acta Cryst. A79, 387-389. 
André Authier (1932–2023). Y. Epelboin (2023). Acta Cryst. A79, 385-386. 
Lattice symmetry relaxation as a cause for anisotropic line broadening and peak shift in powder diffraction. M. Gregorkiewitz & A. Boschetti (2024). Acta Cryst. A80, https://doi.org/10.1107/S2053273324008799. 
Chiral spiral cyclic twins. II. A two-parameter family of cyclic twins composed of discrete circle involute spirals. W. Hornfeck (2023). Acta Cryst. A79, 570-586. 
An efficient system matrix factorization method for scanning diffraction based strain tensor tomography. A. Henningsson & S. A. Hall (2023). Acta Cryst. A79, 542-549. 
A new order parameter model for the improper ferroelastic phase transitions in KMnF3 single crystal. I.-H. Kim, I.-H. Kim, K.-O. Jang & S.-W. Kim (2024). Acta Cryst. A80, 329-338. 
Boris Gruber's contributions to mathematical crystallography. H. Grimmer (2023). Acta Cryst. A79, 295-300. 
Algorithm for spin symmetry operation search. K. Shinohara, A. Togo, H. Watanabe, T. Nomoto, I. Tanaka & R. Arita (2024). Acta Cryst. A80, 94-103. 
Dynamical diffraction of high-energy electrons by light-atom structures: a multiple forward scattering interpretation. T. R. Drevon, D. G. Waterman & E. Krissinel (2023). Acta Cryst. A79, 180-191. 
A note on the wedge reversion antisymmetry operation and 51 types of physical quantities in arbitrary dimensions. P. Fabrykiewicz (2023). Acta Cryst. A79, 381-384. 
Approximating lattice similarity. L. C. Andrews, H. J. Bernstein & N. K. Sauter (2023). Acta Cryst. A79, 480-484. 
A general force field by machine learning on experimental crystal structures. Calculations of intermolecular Gibbs energy with FlexCryst. D. W. M. Hofmann & L. N. Kuleshova (2023). Acta Cryst. A79, 132-144. 
Periodic diffraction from an aperiodic monohedral tiling. C. S. Kaplan, M. O'Keeffe & M. M. J. Treacy (2024). Acta Cryst. A80, 72-78. 
A digital distance on the kisrhombille tiling. F. Kablan, B. Vizvári & B. Nagy (2024). Acta Cryst. A80, 226-236. 
On single-crystal total scattering data reduction and correction protocols for analysis in direct space. Corrigendum. R. J. Koch, N. Roth, Y. Liu, O. Ivashko, A.-C. Dippel, C. Petrovic, B. B. Iversen, M. v. Zimmermann & E. S. Bozin (2022). Acta Cryst. A78, 515. 
Understanding extended homometry based on complementary crystallographic orbit sets. Z. Zhang, Y. Shen & J. Sun (2024). Acta Cryst. A80, 151-160. 
An alternative method to the Takagi–Taupin equations for studying dark-field X-ray microscopy of deformed crystals. K.-L. Wang, X. Kang & X.-Y. Li (2024). Acta Cryst. A80, https://doi.org/10.1107/S2053273324008295. 
Identification of Kikuchi lines in electron diffraction patterns collected in small-angle geometry. Z. Mitura, G. Szwachta, Ł. Kokosza & M. Przybylski (2024). Acta Cryst. A80, 104-111. 
Lorentz factor for time-of-flight neutron Bragg and total scattering. Y. Zhang, J. Liu & M. G. Tucker (2023). Acta Cryst. A79, 20-24. 
Hierarchical topological analysis of crystal structures: the skeletal net concept. O. A. Blatova & V. A. Blatov (2024). Acta Cryst. A80, 65-71. 
Symmetry groups of two-way twofold and three-way threefold fabrics. M. L. A. De Las Peñas, M. Tomenes & K. Liza (2024). Acta Cryst. A80, 33-51. 
An invertible seven-dimensional Dirichlet cell characterization of lattices. H. J. Bernstein, L. C. Andrews & M. Xerri (2023). Acta Cryst. A79, 369-380. 
Perfect precise colorings of plane semiregular tilings. M. J. C. Loquias & R. B. Santos (2023). Acta Cryst. A79, 440-451. 
Background optimization of powder electron diffraction for implementation of the e-PDF technique and study of the local structure of iron oxide nanocrystals. N. V. V. Mogili, N. C. Verissimo, A. M. M. Abeykoon, E. S. Bozin, J. Bettini, E. R. Leite & J. B. Souza Junior (2023). Acta Cryst. A79, 412-426. 
Colorings of patterns fixed by an arbitrary finite-index subgroup of the symmetry group. A. O. Junio (2023). Acta Cryst. A79, 550-559. 
Realizations of crystal nets. I. (Generalized) derived graphs. G. McColm (2024). Acta Cryst. A80, 18-32. 
Three-periodic nets, tilings and surfaces. A short review and new results. O. Delgado-Friedrichs, M. O'Keeffe, D. M. Proserpio & M. M. J. Treacy (2023). Acta Cryst. A79, 192-202. 
Double-slit asymmetrical dynamical diffraction of X-rays in ideal crystals. M. Balyan (2024). Acta Cryst. A80, 161-166. 
Ice structures assembled from cubic water clusters of D2d and S4 symmetry. S. V. Gudkovskikh & M. V. Kirov (2023). Acta Cryst. A79, 527-535. 
Revisited relativistic Dirac–Hartree–Fock X-ray scattering factors. II. Chemically relevant cations and selected monovalent anions for atoms with Z = 3–112. S. Olukayode, C. Froese Fischer & A. Volkov (2023). Acta Cryst. A79, 229-245. 
Ambiguity in indexing electron diffraction patterns of R3 crystals. S. Mohan (2022). Acta Cryst. A78, 507-514. 
Maximal independence and symmetry in crystal chemistry of natural tectosilicates. M. Moreira de Oliveira Jr & J.-G. Eon (2024). Acta Cryst. A80, 52-64. 
Revisited relativistic Dirac–Hartree–Fock X-ray scattering factors. I. Neutral atoms with Z = 2–118. S. Olukayode, C. Froese Fischer & A. Volkov (2023). Acta Cryst. A79, 59-79. 
Periodic Borromean rings, rods and chains. M. O'Keeffe & M. M. J. Treacy (2024). Acta Cryst. A80, 79-85. 
Introduction of a weighting scheme for the X-ray restrained wavefunction approach: advantages and drawbacks. G. Macetti & A. Genoni (2023). Acta Cryst. A79, 25-40. 
Magnetic, electric and toroidal polarization modes describing the physical properties of crystals. NdFeO3 case. P. Fabrykiewicz, R. Przeniosło & I. Sosnowska (2023). Acta Cryst. A79, 80-94. 
Parallelohedra, old and new. M. Senechal & J. E. Taylor (2023). Acta Cryst. A79, 273-279. 
A fast two-stage algorithm for non-negative matrix factorization in smoothly varying data. R. Gu, S. J. L. Billinge & Q. Du (2023). Acta Cryst. A79, 203-216. 
Isogonal 2-periodic polycatenanes: chain mail. M. O'Keeffe & M. M. J. Treacy (2024). Acta Cryst. A80, 86-93. 
Advanced implication theory. Symmetry tables. F. Pavelcik (2024). Acta Cryst. A80, 189-193. 
On automatic determination of quasicrystal orientations by indexing of detected reflections. A. Morawiec (2023). Acta Cryst. A79, 339-344. 
On the determination of dense coincidence site lattice planes. A. Morawiec (2022). Acta Cryst. A78, 491-497. 
Double-slit X-ray dynamical diffraction in curved crystals. M. K. Balyan (2023). Acta Cryst. A79, 353-359. 
Determination of the superlattice structure factor by X-ray diffraction using a temperature gradient. L. Levonyan & H. Manukyan (2023). Acta Cryst. A79, 14-19. 
Measuring lattices. L. C. Andrews & H. J. Bernstein (2023). Acta Cryst. A79, 485-498. 
Distances in the face-centered cubic crystalline structure applying operational research. G. Stomfai, G. Kovács, B. Nagy, N. D. Turgay & B. Vizvári (2023). Acta Cryst. A79, 452-462. 
Combinatorial aspects of the Löwenstein avoidance rule. Part III: the relational system of configurations. M. Moreira de Oliveira Jr & J.-G. Eon (2023). Acta Cryst. A79, 463-479. 
Isogonal embeddings of interwoven and self-entangled honeycomb (hcb) nets and related interpenetrating primitive cubic (pcu) nets. M. O'Keeffe & M. M. J. Treacy (2023). Acta Cryst. A79, 560-569. 
Dynamical theory of X-ray diffraction by crystals with different surface relief profiles. A. V. Karpov, D. V. Kazakov & V. I. Punegov (2023). Acta Cryst. A79, 171-179. 
A novel algorithm for calculation of Fourier and asymmetric units. F. Pavelcik (2023). Acta Cryst. A79, 597-599. 
Delone lattice studies in C3, the space of three complex variables. L. C. Andrews & H. J. Bernstein (2023). Acta Cryst. A79, 499-503. 
Stability of inorganic ionic structures: the uniformity approach. A. P. Shevchenko & V. A. Blatov (2024). Acta Cryst. A80, https://doi.org/10.1107/S2053273324009008. 
Piecewise-linear embeddings of decussate extended θ graphs and tetrahedra. M. O'Keeffe & M. M. J. Treacy (2022). Acta Cryst. A78, 498-506. 
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