most read articles

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

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. 
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. 
New benchmarks in the modelling of X-ray atomic form factors. G. Thorkildsen (2023). Acta Cryst. A79, 318-330. 
Crystallography of homophase twisted bilayers: coincidence, union lattices and space groups. D. Gratias & M. Quiquandon (2023). Acta Cryst. A79, 301-317. 
Efficient structure-factor modeling for crystals with multiple components. P. V. Afonine, P. D. Adams & A. G. Urzhumtsev (2023). Acta Cryst. A79, 345-352. 
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. 
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. 
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. 
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. 
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. 
Uri Shmueli (1928–2023). C. P. Brock (2023). Acta Cryst. A79, 387-389. 
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. 
André Authier (1932–2023). Y. Epelboin (2023). Acta Cryst. A79, 385-386. 
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. 
Crystal diffraction prediction and partiality estimation using Gaussian basis functions. W. Brehm, T. White & H. N. Chapman (2023). Acta Cryst. A79, 145-162. 
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. 
Patch frequencies in rhombic Penrose tilings. J. Mazáč (2023). Acta Cryst. A79, 399-411. 
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. 
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. 
Identification of a coherent twin relationship from high-resolution reciprocal-space maps. S. Gorfman, D. Spirito, G. Zhang, C. Detlefs & N. Zhang (2022). Acta Cryst. A78, 158-171. 
Towards a machine-readable literature: finding relevant papers based on an uploaded powder diffraction pattern. B. Özer, M. A. Karlsen, Z. Thatcher, L. Lan, B. McMahon, P. R. Strickland, S. P. Westrip, K. S. Sang, D. G. Billing, D. B. Ravnsbæk & S. J. L. Billinge (2022). Acta Cryst. A78, 386-394. 
Geographic style maps for two-dimensional lattices. M. Bright, A. I. Cooper & V. Kurlin (2023). Acta Cryst. A79, 1-13. 
A phase retrieval algorithm for triply periodic minimal surface like structures. T. Oka (2023). Acta Cryst. A79, 51-58. 
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. 
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. 
Chiral spiral cyclic twins. W. Hornfeck (2022). Acta Cryst. A78, 21-35. 
Simulating dark-field X-ray microscopy images with wavefront propagation techniques. M. Carlsen, C. Detlefs, C. Yildirim, T. Ræder & H. Simons (2022). Acta Cryst. A78, 482-490. 
A simplified relationship between the modified O-lattice and the rotation matrix for generating the coincidence site lattice of an arbitrary Bravais lattice system. H. Liu (2022). Acta Cryst. A78, 139-148. 
Effects of Voigt diffraction peak profiles on the pair distribution function. J. Beyer, N. Roth & B. Brummerstedt Iversen (2022). Acta Cryst. A78, 10-20. 
An efficient system matrix factorization method for scanning diffraction based strain tensor tomography. A. Henningsson & S. A. Hall (2023). Acta Cryst. A79, 542-549. 
Extending the novel |ρ|-based phasing algorithm to the solution of anomalous scattering substructures from SAD data of protein crystals. J. Rius & X. Torrelles (2022). Acta Cryst. A78, 473-481. 
Correlation between two- and three-dimensional crystallographic lattices for epitaxial analysis. II. Experimental results. J. Simbrunner, J. Domke, F. Sojka, A. Jeindl, F. Otto, M. Gruenewald, O. T. Hofmann, T. Fritz, R. Resel & R. Forker (2022). Acta Cryst. A78, 272-282. 
Bond topology of chain, ribbon and tube silicates. Part I. Graph-theory generation of infinite one-dimensional arrangements of (TO4)n− tetrahedra. M. C. Day & F. C. Hawthorne (2022). Acta Cryst. A78, 212-233. 
Ab initio reconstruction from one-dimensional crystal diffraction data. R. D. Arnal & R. P. Millane (2022). Acta Cryst. A78, 249-261. 
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. 
Objective crystallographic symmetry classifications of a noisy crystal pattern with strong Fedorov-type pseudo­symmetries and its optimal image-quality enhancement. P. Moeck (2022). Acta Cryst. A78, 172-199. 
A finite difference scheme for integrating the Takagi–Taupin equations on an arbitrary orthogonal grid. M. Carlsen & H. Simons (2022). Acta Cryst. A78, 395-401. 
Pure discrete spectrum and regular model sets on some non-unimodular substitution tilings. J.-Y. Lee (2022). Acta Cryst. A78, 437-451. 
Origin of irregular X-ray mirage fringes from a bent, thin crystal. T. Fukamachi & T. Kawamura (2022). Acta Cryst. A78, 422-429. 
Multidimensional color codes for chair tilings. S. I. Ben-Abraham & D. Flom (2022). Acta Cryst. A78, 359-363. 
Crystallographic phase retrieval method for liquid crystal bicontinuous phases: indicator-based method. T. Oka (2022). Acta Cryst. A78, 430-436. 
Boris Gruber's contributions to mathematical crystallography. H. Grimmer (2023). Acta Cryst. A79, 295-300. 
Correlation between two- and three-dimensional crystallographic lattices for epitaxial analysis. I. Theory. J. Simbrunner, J. Domke, R. Forker, R. Resel & T. Fritz (2022). Acta Cryst. A78, 262-271. 
The intrinsic group–subgroup structures of the Diamond and Gyroid minimal surfaces in their conventional unit cells. M. C. Pedersen, V. Robins & S. T. Hyde (2022). Acta Cryst. A78, 56-58. 
A new method for lattice reduction using directional and hyperplanar shearing. C. Cayron (2022). Acta Cryst. A78, 1-9. 
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. 
Lev Feigin (1928–2022). D. Svergun & J. Trewhella (2022). Acta Cryst. A78, 384-385. 
Uwe Grimm (1963–2021). M. Baake, R. McGrath & R. A. Römer (2022). Acta Cryst. A78, 63-64. 
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. 
Ice structures assembled from cubic water clusters of D2d and S4 symmetry. S. V. Gudkovskikh & M. V. Kirov (2023). Acta Cryst. A79, 527-535. 
A novel algorithm for calculation of Fourier and asymmetric units. F. Pavelcik (2023). Acta Cryst. A79, 597-599. 
On automatic determination of quasicrystal orientations by indexing of detected reflections. A. Morawiec (2023). Acta Cryst. A79, 339-344. 
Introducing a unified magnetic space-group symbol. B. J. Campbell, H. T. Stokes, J. M. Perez-Mato & J. Rodríguez-Carvajal (2022). Acta Cryst. A78, 99-106. 
Measuring lattices. L. C. Andrews & H. J. Bernstein (2023). Acta Cryst. A79, 485-498. 
An invertible seven-dimensional Dirichlet cell characterization of lattices. H. J. Bernstein, L. C. Andrews & M. Xerri (2023). Acta Cryst. A79, 369-380. 
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. 
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. 
Delone lattice studies in C3, the space of three complex variables. L. C. Andrews & H. J. Bernstein (2023). Acta Cryst. A79, 499-503. 
Lorentz factor for time-of-flight neutron Bragg and total scattering. Y. Zhang, J. Liu & M. G. Tucker (2023). Acta Cryst. A79, 20-24. 
Perfect precise colorings of plane semiregular tilings. M. J. C. Loquias & R. B. Santos (2023). Acta Cryst. A79, 440-451. 
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 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. 
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. 
On the frequency module of the hull of a primitive substitution tiling. A. L. D. Say-awen, D. Frettlöh & M. L. A. N. De Las Peñas (2022). Acta Cryst. A78, 36-55. 
Colorings of patterns fixed by an arbitrary finite-index subgroup of the symmetry group. A. O. Junio (2023). Acta Cryst. A79, 550-559. 
Hierarchical topological analysis of crystal structures: the skeletal net concept. O. A. Blatova & V. A. Blatov (2024). Acta Cryst. A80, https://doi.org/10.1107/S2053273323008975. 
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. 
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. 
Semi-analytic theory of multiphonon effects on the static structure factors of warm solids. H. Kitamura (2022). Acta Cryst. A78, 415-421. 
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. 
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. 
Random conical tilt reconstruction without particle picking in cryo-electron microscopy. T.-Y. Lan, N. Boumal & A. Singer (2022). Acta Cryst. A78, 294-301. 
nmfMapping: a cloud-based web application for non-negative matrix factorization of powder diffraction and pair distribution function datasets. Z. Thatcher, C.-H. Liu, L. Yang, B. C. McBride, G. Thinh Tran, A. Wustrow, M. A. Karlsen, J. R. Neilson, D. B. Ravnsbæk & S. J. L. Billinge (2022). Acta Cryst. A78, 242-248. 
On the combinatorics of crystal structures: number of Wyckoff sequences of given length. W. Hornfeck (2022). Acta Cryst. A78, 149-154. 
Parallelohedra, old and new. M. Senechal & J. E. Taylor (2023). Acta Cryst. A79, 273-279. 
A simple formula for determining nanoparticle size distribution by combining small-angle X-ray scattering and diffraction results. S. L. Morelhão & S. W. Kycia (2022). Acta Cryst. A78, 459-462. 
On the determination of dense coincidence site lattice planes. A. Morawiec (2022). Acta Cryst. A78, 491-497. 
Maximal independence and symmetry in crystal chemistry of natural tectosilicates. M. Moreira de Oliveira Jr & J.-G. Eon (2024). Acta Cryst. A80, https://doi.org/10.1107/S2053273323008665. 
Irreducible and site-symmetry-induced representations of single/double ordinary/grey layer groups. B. Nikolić, I. Milošević, T. Vuković, N. Lazić, S. Dmitrović, Z. Popović & M. Damnjanović (2022). Acta Cryst. A78, 107-114. 
On the growth of the wallpaper groups. R. Grigorchuk & C. Kravaris (2022). Acta Cryst. A78, 371-383. 
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. 
Piecewise-linear embeddings of decussate extended θ graphs and tetrahedra. M. O'Keeffe & M. M. J. Treacy (2022). Acta Cryst. A78, 498-506. 
Enumeration and tabulation of magnetic (3+d)-dimensional superspace groups. H. T. Stokes & B. J. Campbell (2022). Acta Cryst. A78, 364-370. 
Determination of the superlattice structure factor by X-ray diffraction using a temperature gradient. L. Levonyan & H. Manukyan (2023). Acta Cryst. A79, 14-19. 
Time-dependent dynamical Bragg diffraction in deformed crystals by the beam propagation method. J. Krzywinski & A. Halavanau (2022). Acta Cryst. A78, 465-472. 
Borromean rings redux. A missing link found – a Borromean triplet of Borromean triplets. M. O'Keeffe & M. MJ. Treacy (2023). Acta Cryst. A79, 217-219. 
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. 
The decagonal AlCuRh quasicrystal modelled with five atomic surfaces – high-temperature X-ray diffraction data analysis. I. Buganski, R. Strzalka & J. Wolny (2022). Acta Cryst. A78, 402-414. 
On the termination of the X-ray constrained wavefunction procedure: reformulation of the method for an unequivocal determination of λ. A. Genoni (2022). Acta Cryst. A78, 302-308. 
Periodic Borromean rings, rods and chains. M. O'Keeffe & M. M. J. Treacy (2024). Acta Cryst. A80, https://doi.org/10.1107/S2053273323009269. 
Algorithm for spin symmetry operation search. K. Shinohara, A. Togo, H. Watanabe, T. Nomoto, I. Tanaka & R. Arita (2024). Acta Cryst. A80, https://doi.org/10.1107/S2053273323009257. 
Ambiguity in indexing electron diffraction patterns of R3 crystals. S. Mohan (2022). Acta Cryst. A78, 507-514. 
Generating triply periodic surfaces from crystal structures: the tiling approach and its application to zeolites. M. I. Smolkov, O. A. Blatova, A. F. Krutov & V. A. Blatov (2022). Acta Cryst. A78, 327-336. 
Combinatorial aspects of the Löwenstein avoidance rule. Part II: local and global constraints. M. Moreira de Oliveira Jr, F. de Abreu Mendes & J.-G. Eon (2022). Acta Cryst. A78, 115-127. 
Local groups in Delone sets in the Euclidean space. N. Dolbilin & M. Shtogrin (2022). Acta Cryst. A78, 452-458. 
Tangled piecewise-linear embeddings of trivalent graphs. M. O'Keeffe & M. M. J. Treacy (2022). Acta Cryst. A78, 128-138. 
Isogonal piecewise-linear embeddings of 1-periodic knots and links, and related 2-periodic chain-link and knitting patterns. M. O'Keeffe & M. M. J. Treacy (2022). Acta Cryst. A78, 234-241. 
A Metropolis Monte Carlo algorithm for merging single-particle diffraction intensities. B. R. Mobley, K. E. Schmidt, J. P. J. Chen & R. A. Kirian (2022). Acta Cryst. A78, 200-211. 
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