most read articles

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

George M. Sheldrick (1942–2025). I. Usón & R. Herbst-Irmer (2025). Acta Cryst. A81, 167-174. 
Deep learning applications in protein crystallography. S. Matinyan, P. Filipcik & J. P. Abrahams (2024). Acta Cryst. A80, 1-17. 
Unit-cell parameters determination from a set of independent electron diffraction zonal patterns. T. E. Gorelik, G. Miehe, R. Bücker & K. Yoshida (2025). Acta Cryst. A81, 124-136. 
Deconvoluting thermomechanical effects in X-ray diffraction data using machine learning. R. E. Lim, S.-L. Shang, C. Chuang, T. Q. Phan, Z.-K. Liu & D. C. Pagan (2025). Acta Cryst. A81, 137-150. 
Crystallography of quasiperiodic moiré patterns in homophase twisted bilayers. M. Quiquandon & D. Gratias (2025). Acta Cryst. A81, 94-106. 
Growth functions of periodic space tessellations. B. Naskręcki, J. Malinowski, Z. Dauter & M. Jaskolski (2025). Acta Cryst. A81, 64-81. 
A physical optics formulation of Bloch waves and its application to 4D STEM, 3D ED and inelastic scattering simulations. B. G. Mendis (2025). Acta Cryst. A81, 113-123. 
Honeycombs – their variety, topology and symmetry. Z. Dauter & M. Jaskolski (2025). Acta Cryst. A81, 159-166. 
A computationally efficient quasi-harmonic study of ice polymorphs using the FFLUX force field. A. Pák, M. L. Brown & P. L. A. Popelier (2025). Acta Cryst. A81, 36-48. 
The single-atom R1: a new optimization method to solve crystal structures. X. Zhang & J. P. Donahue (2024). Acta Cryst. A80, 237-248. 
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. 
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. 
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. 
Machine learning in crystallography and structural science. S. J. L. Billinge & Th. Proffen (2024). Acta Cryst. A80, 139-145. 
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. 
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. 
Uncertainties of recalculated bond lengths, angles and polyhedral volumes as implemented in the Crystal Palace program for parametric crystal structure analysis. R. J. Angel, M. L. Mazzucchelli, L. Baratelli, C. F. Schweinle, T. Balić-Žunić, J. Gonzalez-Platas & M. Alvaro (2025). Acta Cryst. A81, 202-210. 
On symmetries of higher-order elastic constants. J. D. Clayton (2025). Acta Cryst. A81, 1-4. 
Parameterized absorptive electron scattering factors. M. Thomas, A. Cleverley & R. Beanland (2024). Acta Cryst. A80, 146-150. 
The phase-seeding method for solving non-centrosymmetric crystal structures: a challenge for artificial intelligence. B. Carrozzini, L. De Caro, C. Giannini, A. Altomare & R. Caliandro (2025). Acta Cryst. A81, 188-201. 
Benchmarking 3D-ΔPDF analysis using in-house X-ray sources. K. O. R. Juul, K. A. H. Støckler & B. B. Iversen (2025). Acta Cryst. A81, https://doi.org/10.1107/S2053273325003389. 
N-representable one-electron reduced density matrix reconstruction with frozen core electrons. S. Yu & J.-M. Gillet (2024). Acta Cryst. A80, 249-257. 
A note on the relation of anisotropic peak broadening with lattice symmetry in powder diffraction. P. Fabrykiewicz (2025). Acta Cryst. A81, 245-247. 
Topological coordination numbers and coordination reciprocity from electron-density distributions. F. R. Wagner, R. Freccero & Y. Grin (2025). Acta Cryst. A81, 221-244. 
Sine Ydun Larsen (1943–2025). S. Lidin, M. J. Cooper, I. Echeverria, M. Soler Lopez, F. Sette, P. Harris & L. Lo Leggio (2025). Acta Cryst. A81, 84-88. 
Permissible domain walls in monoclinic MAB ferroelectric phases. I. Biran & S. Gorfman (2024). Acta Cryst. A80, 112-128. 
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. 
Modelling dynamical 3D electron diffraction intensities. I. A scattering cluster algorithm. B. Mendis (2024). Acta Cryst. A80, 167-177. 
The general equation of δ direct methods and the novel SMAR algorithm residuals using the absolute value of ρ and the zero conversion of negative ripples. J. Rius (2025). Acta Cryst. A81, 16-25. 
Modelling dynamical 3D electron diffraction intensities. II. The role of inelastic scattering. B. Mendis (2024). Acta Cryst. A80, 178-188. 
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. 
Superstructure reflections in tilted perovskites. R. Beanland & R. Sjökvist (2024). Acta Cryst. A80, 387-390. 
Permissible domain walls in monoclinic ferroelectrics. Part II. The case of MC phases. I. Biran & S. Gorfman (2024). Acta Cryst. A80, 293-304. 
Universal simulation of absorption effects for X-ray diffraction in reflection geometry. J. Dallmann, J. Graetz & R. Hock (2024). Acta Cryst. A80, 315-328. 
A milestone for the solution to the lattice sphere covering problem in dimension n = 6. F. Vallentin (2025). Acta Cryst. A81, 5-8. 
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. 
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, 460-463. 
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. 
Rajagopala Chidambaram (1936–2025). S. C. Mande & T. P. Singh (2025). Acta Cryst. A81, 89-90. 
Lattice symmetry relaxation as a cause for anisotropic line broadening and peak shift in powder diffraction. M. Gregorkiewitz & A. Boschetti (2024). Acta Cryst. A80, 439-445. 
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. 
Universal parameters of bulk-solvent masks. A. Urzhumtsev, P. Adams & P. Afonine (2024). Acta Cryst. A80, 194-201. 
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. 
Analytical models representing X-ray form factors of ions. G. Thorkildsen (2024). Acta Cryst. A80, 129-136. 
Homophase bilayers: more than just the sum of their monolayers. M. Feuerbacher (2025). Acta Cryst. A81, 91-93. 
Structure of face-centred icosahedral quasicrystals with cluster close packing. T. Yamada, H. Takakura & A. Yamamoto (2024). Acta Cryst. A80, 422-438. 
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. 
Symmetric 3-periodic polycatenanes: catenated rings, polyhedra and rods. M. O'Keeffe & M. M. J. Treacy (2025). Acta Cryst. A81, 107-112. 
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, 405-413. 
Distinguishing isotropic and anisotropic signals for X-ray total scattering using machine learning. D. N. Alverson, D. Olds & M. M. Butala (2025). Acta Cryst. A81, 175-187. 
Refuting `a new theory for X-ray diffraction' – a reciprocal-space approach. E. Vlieg, P. Tinnemans & R. de Gelder (2025). Acta Cryst. A81, https://doi.org/10.1107/S2053273325000762. 
Simulation of reciprocal-space mapping using a new analytical solution of kinematical X-ray diffraction in a crystal. V. Punegov (2025). Acta Cryst. A81, 57-63. 
Patch frequencies in rhombic Penrose tilings. J. Mazáč (2023). Acta Cryst. A79, 399-411. 
Complete classification of six-dimensional iso-edge domains. M. Dutour Sikirić & W. van Woerden (2025). Acta Cryst. A81, 9-15. 
Small-angle rigid-unit modes requiring linear strain compensation. B. T. Eggers, H. T. Stokes & B. J. Campbell (2025). Acta Cryst. A81, 26-35. 
Dieter Schwarzenbach (1936–2024). G. Chapuis (2024). Acta Cryst. A80, 391-393. 
Isogonal 1-periodic polycatenanes (chains). Transitivity and intransitivity of links. M. O'Keeffe & M. M. J. Treacy (2025). Acta Cryst. A81, 151-158. 
Efficient structure-factor modeling for crystals with multiple components. P. V. Afonine, P. D. Adams & A. G. Urzhumtsev (2023). Acta Cryst. A79, 345-352. 
Helical substructures of 4D constructions that determine the structure of α-helices. A. Talis (2025). Acta Cryst. A81, 211-220. 
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. 
An efficient system matrix factorization method for scanning diffraction based strain tensor tomography. A. Henningsson & S. A. Hall (2023). Acta Cryst. A79, 542-549. 
On the principle of reciprocity in inelastic electron scattering. B. G. Mendis (2024). Acta Cryst. A80, 457-459. 
Periodic graphs with coincident edges: folding-ladder and related graphs. O. Delgado-Friedrichs, M. O'Keeffe & M. M. J. Treacy (2025). Acta Cryst. A81, 49-56. 
Professor Dr Hendrik (Henk) Schenk (1939–2023). C. A. Reiss (2024). Acta Cryst. A80, 137-138. 
André Authier (1932–2023). Y. Epelboin (2023). Acta Cryst. A79, 385-386. 
Approximating lattice similarity. L. C. Andrews, H. J. Bernstein & N. K. Sauter (2023). Acta Cryst. A79, 480-484. 
Symmetries and symmetry-generated averages of elastic constants up to the sixth order of nonlinearity for all crystal classes, isotropy and transverse isotropy. R. S. Telyatnik (2024). Acta Cryst. A80, 394-404. 
Uri Shmueli (1928–2023). C. P. Brock (2023). Acta Cryst. A79, 387-389. 
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. 
Periodic diffraction from an aperiodic monohedral tiling. C. S. Kaplan, M. O'Keeffe & M. M. J. Treacy (2024). Acta Cryst. A80, 72-78. 
Algorithm for spin symmetry operation search. K. Shinohara, A. Togo, H. Watanabe, T. Nomoto, I. Tanaka & R. Arita (2024). Acta Cryst. A80, 94-103. 
Stability of inorganic ionic structures: the uniformity approach. A. P. Shevchenko & V. A. Blatov (2024). Acta Cryst. A80, 446-456. 
Updating direct methods III. Reduction of structural complexity when first-rank semi-invariants are estimated via the Patterson map. C. Giacovazzo (2025). Acta Cryst. A81, https://doi.org/10.1107/S2053273325003274. 
Hierarchical topological analysis of crystal structures: the skeletal net concept. O. A. Blatova & V. A. Blatov (2024). Acta Cryst. A80, 65-71. 
Periodic Borromean rings, rods and chains. M. O'Keeffe & M. M. J. Treacy (2024). Acta Cryst. A80, 79-85. 
Colorings of patterns fixed by an arbitrary finite-index subgroup of the symmetry group. A. O. Junio (2023). Acta Cryst. A79, 550-559. 
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, 414-421. 
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. 
On uniform edge-n-colorings of tilings. A. K. Abila, M. L. A. De Las Peñas & M. Tomenes (2024). Acta Cryst. A80, 367-378. 
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. 
Double-slit X-ray dynamical diffraction in elastically deformed crystals. M. K. Balyan (2025). Acta Cryst. A81, https://doi.org/10.1107/S2053273325003481. 
Perfect precise colorings of plane semiregular tilings. M. J. C. Loquias & R. B. Santos (2023). Acta Cryst. A79, 440-451. 
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. 
Indexing neutron transmission spectra of a rotating crystal. A. Morawiec (2024). Acta Cryst. A80, 379-386. 
Double-slit X-ray dynamical diffraction in curved crystals. M. K. Balyan (2023). Acta Cryst. A79, 353-359. 
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. 
Understanding extended homometry based on complementary crystallographic orbit sets. Z. Zhang, Y. Shen & J. Sun (2024). Acta Cryst. A80, 151-160. 
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. 
Realizations of crystal nets. I. (Generalized) derived graphs. G. McColm (2024). Acta Cryst. A80, 18-32. 
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. 
Development of an innovative diffraction scattering theory of X-rays and electrons in imperfect crystals. F. N. Chukhovskii (2024). Acta Cryst. A80, 305-314. 
Ice structures assembled from cubic water clusters of D2d and S4 symmetry. S. V. Gudkovskikh & M. V. Kirov (2023). Acta Cryst. A79, 527-535. 
Maximal independence and symmetry in crystal chemistry of natural tectosilicates. M. Moreira de Oliveira Jr & J.-G. Eon (2024). Acta Cryst. A80, 52-64. 
A digital distance on the kisrhombille tiling. F. Kablan, B. Vizvári & B. Nagy (2024). Acta Cryst. A80, 226-236. 
A novel algorithm for calculation of Fourier and asymmetric units. F. Pavelcik (2023). Acta Cryst. A79, 597-599. 
Double-slit asymmetrical dynamical diffraction of X-rays in ideal crystals. M. Balyan (2024). Acta Cryst. A80, 161-166. 
The description of octahedral crystals using five parameters. D. G. Stepenshchikov & A. D. Pavlushin (2024). Acta Cryst. A80, 351-354. 
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. 
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