most read articles

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

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. 
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. 
Crystal diffraction prediction and partiality estimation using Gaussian basis functions. W. Brehm, T. White & H. N. Chapman (2023). Acta Cryst. A79, 145-162. 
A phase retrieval algorithm for triply periodic minimal surface like structures. T. Oka (2023). Acta Cryst. A79, 51-58. 
Geographic style maps for two-dimensional lattices. M. Bright, A. I. Cooper & V. Kurlin (2023). Acta Cryst. A79, 1-13. 
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. 
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. 
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. 
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. 
Layer groups: Brillouin-zone and crystallographic databases on the Bilbao Crystallographic Server. G. de la Flor, B. Souvignier, G. Madariaga & M. I. Aroyo (2021). Acta Cryst. A77, 559-571. 
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. 
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. 
Ab initio reconstruction from one-dimensional crystal diffraction data. R. D. Arnal & R. P. Millane (2022). Acta Cryst. A78, 249-261. 
Effects of Voigt diffraction peak profiles on the pair distribution function. J. Beyer, N. Roth & B. Brummerstedt Iversen (2022). Acta Cryst. A78, 10-20. 
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. 
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. 
Crystallographic phase retrieval method for liquid crystal bicontinuous phases: indicator-based method. T. Oka (2022). Acta Cryst. A78, 430-436. 
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. 
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. 
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. 
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. 
Pure discrete spectrum and regular model sets on some non-unimodular substitution tilings. J.-Y. Lee (2022). Acta Cryst. A78, 437-451. 
Boris Gruber's contributions to mathematical crystallography. H. Grimmer (2023). Acta Cryst. A79, 295-300. 
Lev Feigin (1928–2022). D. Svergun & J. Trewhella (2022). Acta Cryst. A78, 384-385. 
A topological proof of the modified Euler characteristic based on the orbifold concept. B. Naskręcki, Z. Dauter & M. Jaskolski (2021). Acta Cryst. A77, 317-326. 
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. 
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. 
Chiral spiral cyclic twins. W. Hornfeck (2022). Acta Cryst. A78, 21-35. 
Moiré, Euler and self-similarity – the lattice parameters of twisted hexagonal crystals. M. Feuerbacher (2021). Acta Cryst. A77, 460-471. 
Uwe Grimm (1963–2021). M. Baake, R. McGrath & R. A. Römer (2022). Acta Cryst. A78, 63-64. 
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. 
Parameterization of magnetic vector potentials and fields for efficient multislice calculations of elastic electron scattering. K. Lyon & J. Rusz (2021). Acta Cryst. A77, 509-518. 
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. 
A new method for lattice reduction using directional and hyperplanar shearing. C. Cayron (2022). Acta Cryst. A78, 1-9. 
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. 
A new density-modification procedure extending the application of the recent |ρ|-based phasing algorithm to larger crystal structures. J. Rius & X. Torrelles (2021). Acta Cryst. A77, 339-347. 
On incoherent diffractive imaging. L. M. Lohse, M. Vassholz & T. Salditt (2021). Acta Cryst. A77, 480-496. 
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. 
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. 
Lorentz factor for time-of-flight neutron Bragg and total scattering. Y. Zhang, J. Liu & M. G. Tucker (2023). Acta Cryst. A79, 20-24. 
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. 
Determination of the superlattice structure factor by X-ray diffraction using a temperature gradient. L. Levonyan & H. Manukyan (2023). Acta Cryst. A79, 14-19. 
A fast algorithm to find reduced hyperplane unit cells and solve N-dimensional Bézout's identities. C. Cayron (2021). Acta Cryst. A77, 453-459. 
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. 
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. 
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. 
The role of an objective function in the mathematical modelling of wide-angle X-ray diffraction curves of semi-crystalline polymers. M. Rabiej & S. Rabiej (2021). Acta Cryst. A77, 534-547. 
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. 
Sidney C. Abrahams (1924–2021). C. P. Brock & A. M. Glazer (2021). Acta Cryst. A77, 348-350. 
Parallelohedra, old and new. M. Senechal & J. E. Taylor (2023). Acta Cryst. A79, 273-279. 
On single-crystal total scattering data reduction and correction protocols for analysis in direct space. R. J. Koch, N. Roth, Y. Liu, O. Ivashko, A.-C. Dippel, C. Petrovic, B. B. Iversen, M. v. Zimmermann & E. S. Bozin (2021). Acta Cryst. A77, 611-636. 
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. 
On the resolution function for powder diffraction with area detectors. D. Chernyshov, V. Dyadkin, H. Emerich, G. Valkovskiy, C. J. McMonagle & W. van Beek (2021). Acta Cryst. A77, 497-505. 
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. 
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. 
On the centennials of the discoveries of the hydrogen bond and the structure of the water molecule: the short life and work of Eustace Jean Cuy (1897–1925). Z. S. Derewenda (2021). Acta Cryst. A77, 362-378. 
Time-dependent dynamical Bragg diffraction in deformed crystals by the beam propagation method. J. Krzywinski & A. Halavanau (2022). Acta Cryst. A78, 465-472. 
On the combinatorics of crystal structures: number of Wyckoff sequences of given length. W. Hornfeck (2022). Acta Cryst. A78, 149-154. 
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. 
Wilson statistics: derivation, generalization and applications to electron cryomicroscopy. A. Singer (2021). Acta Cryst. A77, 472-479. 
Semi-analytic theory of multiphonon effects on the static structure factors of warm solids. H. Kitamura (2022). Acta Cryst. A78, 415-421. 
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. 
On the determination of dense coincidence site lattice planes. A. Morawiec (2022). Acta Cryst. A78, 491-497. 
Ambiguity in indexing electron diffraction patterns of R3 crystals. S. Mohan (2022). Acta Cryst. A78, 507-514. 
Piecewise-linear embeddings of decussate extended θ graphs and tetrahedra. M. O'Keeffe & M. M. J. Treacy (2022). Acta Cryst. A78, 498-506. 
On the calculation of the electrostatic potential, electric field and electric field gradient from the aspherical pseudoatom model. II. Evaluation of the properties in an infinite crystal. J. Weatherly, P. Macchi & A. Volkov (2021). Acta Cryst. A77, 399-419. 
Multiwavelength anomalous X-ray diffraction for combined imaging of atomic displacement and strain. A. G. Shabalin & O. G. Shpyrko (2021). Acta Cryst. A77, 257-261. 
Vanishing of the atomic form factor derivatives in non-spherical structural refinement – a key approximation scrutinized in the case of Hirshfeld atom refinement. L. Midgley, L. J. Bourhis, O. V. Dolomanov, S. Grabowsky, F. Kleemiss, H. Puschmann & N. Peyerimhoff (2021). Acta Cryst. A77, 519-533. 
Random conical tilt reconstruction without particle picking in cryo-electron microscopy. T.-Y. Lan, N. Boumal & A. Singer (2022). Acta Cryst. A78, 294-301. 
Enumeration and tabulation of magnetic (3+d)-dimensional superspace groups. H. T. Stokes & B. J. Campbell (2022). Acta Cryst. A78, 364-370. 
Magnetic modes compatible with the symmetry of crystals. P. Fabrykiewicz, R. Przeniosło & I. Sosnowska (2021). Acta Cryst. A77, 327-338. 
The wavevector star channel and symmetry group. I. H. Kim, K. R. Sin, J. O. Pak, I. H. Kim, K. O. Jang & C. J. Kim (2021). Acta Cryst. A77, 572-592. 
On the growth of the wallpaper groups. R. Grigorchuk & C. Kravaris (2022). Acta Cryst. A78, 371-383. 
On Borromean links and related structures. M. O'Keeffe & M. M. J. Treacy (2021). Acta Cryst. A77, 379-391. 
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. 
From affine A4 to affine H2: group-theoretical analysis of fivefold symmetric tilings. N. Ozdes Koca, R. Koc, M. Koca & R. Al-Reasi (2022). Acta Cryst. A78, 283-291. 
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. 
Coordination sequences of periodic structures are rational via automata theory. E. Kopczyński (2022). Acta Cryst. A78, 155-157. 
Experimental observation of carousel-like phason flips in the decagonal quasicrystal Al60Cr20Fe10Si10. Z. He, J.-L. Maurice, H. Ma, Y. Wang, H. Li, T. Zhang, X. Ma & W. Steurer (2021). Acta Cryst. A77, 355-361. 
Diffraction enhancement of symmetry and modular structures. A. Umayahara, B. Souvignier & M. Nespolo (2022). Acta Cryst. A78, 319-326. 
X-ray third-order nonlinear diffraction in the asymmetric reflection geometry. M. K. Balyan (2022). Acta Cryst. A78, 349-358. 
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. 
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. 
Growth forms of grid tilings. D. Demski, P. Hilgers & A. Shutov (2022). Acta Cryst. A78, 309-318. 
Improvement of precision in refinements of structure factors using convergent-beam electron diffraction patterns taken at Bragg-excited conditions. B. Aryal, D. Morikawa, K. Tsuda & M. Terauchi (2021). Acta Cryst. A77, 289-295. 
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. 
On symmetry breaking of dual polyhedra of non-crystallographic group H3. M. Myronova (2021). Acta Cryst. A77, 296-316. 
Tangled piecewise-linear embeddings of trivalent graphs. M. O'Keeffe & M. M. J. Treacy (2022). Acta Cryst. A78, 128-138. 
Dynamical effects in the integrated X-ray scattering intensity from imperfect crystals in Bragg diffraction geometry. II. Dynamical theory. V. B. Molodkin, S. I. Olikhovskii, S. V. Dmitriev & V. V. Lizunov (2021). Acta Cryst. A77, 433-452. 
Realizations of the abstract regular H3 polyhedra. J. A. L. Aranas & M. L. Loyola (2022). Acta Cryst. A78, 337-348. 
Thermodynamics of lattice vibrations in non-cubic crystals: the zinc structure revisited. R. Tomaschitz (2021). Acta Cryst. A77, 420-432. 
Local groups in Delone sets in the Euclidean space. N. Dolbilin & M. Shtogrin (2022). Acta Cryst. A78, 452-458. 
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. 
Piecewise-linear embeddings of knots and links with rotoinversion symmetry. M. O'Keeffe & M. M. J. Treacy (2021). Acta Cryst. A77, 392-398. 
X-ray molecular orbital analysis. II. Application to diformohydrazide, (NHCHO)2. K. Tanaka & Y. Wasada-Tsutsui (2021). Acta Cryst. A77, 593-610. 
Combinatorial aspects of the Löwenstein avoidance rule. Part I: the independence polynomial. M. Moreira de Oliveira Jr & J.-G. Eon (2021). Acta Cryst. A77, 548-558. 
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