most read articles

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

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. 
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. 
Crystallographic phase retrieval method for liquid crystal bicontinuous phases: indicator-based method. T. Oka (2022). Acta Cryst. A78, 430-436. 
Origin of irregular X-ray mirage fringes from a bent, thin crystal. T. Fukamachi & T. Kawamura (2022). Acta Cryst. A78, 422-429. 
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. 
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. 
Relativistic spacetime crystals. V. Gopalan (2021). Acta Cryst. A77, 242-256. 
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. 
Pure discrete spectrum and regular model sets on some non-unimodular substitution tilings. J.-Y. Lee (2022). Acta Cryst. A78, 437-451. 
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. 
Ab initio reconstruction from one-dimensional crystal diffraction data. R. D. Arnal & R. P. Millane (2022). Acta Cryst. A78, 249-261. 
Multidimensional color codes for chair tilings. S. I. Ben-Abraham & D. Flom (2022). Acta Cryst. A78, 359-363. 
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. 
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. 
Lev Feigin (1928–2022). D. Svergun & J. Trewhella (2022). Acta Cryst. A78, 384-385. 
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. 
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. 
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. 
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. 
Geographic style maps for two-dimensional lattices. M. Bright, A. I. Cooper & V. Kurlin (2023). Acta Cryst. A79, 1-13. 
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. 
Combining X-rays, neutrons and electrons, and NMR, for precision and accuracy in structure–function studies. J. R. Helliwell (2021). Acta Cryst. A77, 173-185. 
A phase retrieval algorithm for triply periodic minimal surface like structures. T. Oka (2023). Acta Cryst. A79, 51-58. 
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. 
Arithmetic proof of the multiplicity-weighted Euler characteristic for symmetrically arranged space-filling polyhedra. B. Naskręcki, Z. Dauter & M. Jaskolski (2021). Acta Cryst. A77, 126-129. 
A new electron diffraction approach for structure refinement applied to Ca3Mn2O7. R. Beanland, K. Smith, P. Vaněk, H. Zhang, A. Hubert, K. Evans, R. A. Römer & S. Kamba (2021). Acta Cryst. A77, 196-207. 
Effects of Voigt diffraction peak profiles on the pair distribution function. J. Beyer, N. Roth & B. Brummerstedt Iversen (2022). Acta Cryst. A78, 10-20. 
Coordination sequences of crystals are of quasi-polynomial type. Y. Nakamura, R. Sakamoto, T. Mase & J. Nakagawa (2021). Acta Cryst. A77, 138-148. 
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. 
Symmetry relations in wurtzite nitrides and oxide nitrides and the curious case of Pmc21. J. Breternitz & S. Schorr (2021). Acta Cryst. A77, 208-216. 
Uwe Grimm (1963–2021). M. Baake, R. McGrath & R. A. Römer (2022). Acta Cryst. A78, 63-64. 
A discussion on `Domain formation and phase transitions in the wurtzite-based heterovalent ternaries: a Landau theory analysis'. P. C. Quayle & J. Breternitz (2021). Acta Cryst. A77, 217-221. 
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. 
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, https://doi.org/10.1107/S2053273322011949. 
Moiré, Euler and self-similarity – the lattice parameters of twisted hexagonal crystals. M. Feuerbacher (2021). Acta Cryst. A77, 460-471. 
A new method for lattice reduction using directional and hyperplanar shearing. C. Cayron (2022). Acta Cryst. A78, 1-9. 
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. 
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. 
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. 
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 incoherent diffractive imaging. L. M. Lohse, M. Vassholz & T. Salditt (2021). Acta Cryst. A77, 480-496. 
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. 
Chiral spiral cyclic twins. W. Hornfeck (2022). Acta Cryst. A78, 21-35. 
A fast algorithm to find reduced hyperplane unit cells and solve N-dimensional Bézout's identities. C. Cayron (2021). Acta Cryst. A77, 453-459. 
Resolution of a bent-crystal spectrometer for X-ray free-electron laser pulses: diamond versus silicon. V. M. Kaganer, I. Petrov & L. Samoylova (2021). Acta Cryst. A77, 268-276. 
Sidney C. Abrahams (1924–2021). C. P. Brock & A. M. Glazer (2021). Acta Cryst. A77, 348-350. 
From crystal color symmetry to quantum spacetime. M. Bojowald & A. Saxena (2021). Acta Cryst. A77, 239-241. 
Determination of the superlattice structure factor by X-ray diffraction using a temperature gradient. L. Levonyan & H. Manukyan (2023). Acta Cryst. A79, 14-19. 
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. 
Time-dependent dynamical Bragg diffraction in deformed crystals by the beam propagation method. J. Krzywinski & A. Halavanau (2022). Acta Cryst. A78, 465-472. 
Lorentz factor for time-of-flight neutron Bragg and total scattering. Y. Zhang, J. Liu & M. G. Tucker (2023). Acta Cryst. A79, 20-24. 
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. 
Semi-analytic theory of multiphonon effects on the static structure factors of warm solids. H. Kitamura (2022). Acta Cryst. A78, 415-421. 
Diffraction line profiles from polydisperse crystalline systems. Corrigenda. P. Scardi (2021). Acta Cryst. A77, 232. 
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. 
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. 
Local groups in Delone sets in the Euclidean space. N. Dolbilin & M. Shtogrin (2022). Acta Cryst. A78, 452-458. 
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. 
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. 
Piecewise-linear embeddings of decussate extended θ graphs and tetrahedra. M. O'Keeffe & M. M. J. Treacy (2022). Acta Cryst. A78, 498-506. 
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. 
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. 
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 determination of dense coincidence site lattice planes. A. Morawiec (2022). Acta Cryst. A78, 491-497. 
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 combinatorics of crystal structures: number of Wyckoff sequences of given length. W. Hornfeck (2022). Acta Cryst. A78, 149-154. 
Ambiguity in indexing electron diffraction patterns of R3 crystals. S. Mohan (2022). Acta Cryst. A78, 507-514. 
Wilson statistics: derivation, generalization and applications to electron cryomicroscopy. A. Singer (2021). Acta Cryst. A77, 472-479. 
Crystal symmetry for incommensurate helical and cycloidal modulations. P. Fabrykiewicz, R. Przeniosło & I. Sosnowska (2021). Acta Cryst. A77, 160-172. 
Polarization effects of X-ray monochromators modeled using dynamical scattering theory. M. H. Mendenhall, D. Black, D. Windover & J. P. Cline (2021). Acta Cryst. A77, 262-267. 
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. 
Magnetic modes compatible with the symmetry of crystals. P. Fabrykiewicz, R. Przeniosło & I. Sosnowska (2021). Acta Cryst. A77, 327-338. 
On the growth of the wallpaper groups. R. Grigorchuk & C. Kravaris (2022). Acta Cryst. A78, 371-383. 
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. 
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. 
Random conical tilt reconstruction without particle picking in cryo-electron microscopy. T.-Y. Lan, N. Boumal & A. Singer (2022). Acta Cryst. A78, 294-301. 
Growth forms of grid tilings. D. Demski, P. Hilgers & A. Shutov (2022). Acta Cryst. A78, 309-318. 
On Borromean links and related structures. M. O'Keeffe & M. M. J. Treacy (2021). Acta Cryst. A77, 379-391. 
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. 
A reference-based multi-lattice indexing method integrating prior information correction and iterative refinement in protein crystallography. Q. Zhou, Z.-Q. Gao, Z. Dong, Y.-M. Jiang, Z. She, Z. Geng & Y.-H. Dong (2021). Acta Cryst. A77, 277-288. 
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. 
New perspectives in macromolecular powder diffraction using single-photon-counting strip detectors: high-resolution structure of the pharmaceutical peptide octreotide. M. Spiliopoulou, F. Karavassili, D.-P. Triandafillidis, A. Valmas, S. Fili, C. Kosinas, K. Barlos, K. K. Barlos, M. Morin, M. L. Reinle-Schmitt, F. Gozzo & I. Margiolaki (2021). Acta Cryst. A77, 186-195. 
Enumeration and tabulation of magnetic (3+d)-dimensional superspace groups. H. T. Stokes & B. J. Campbell (2022). Acta Cryst. A78, 364-370. 
Tangled piecewise-linear embeddings of trivalent graphs. M. O'Keeffe & M. M. J. Treacy (2022). Acta Cryst. A78, 128-138. 
Coordination sequences of periodic structures are rational via automata theory. E. Kopczyński (2022). Acta Cryst. A78, 155-157. 
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. 
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. 
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. 
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. 
On symmetry breaking of dual polyhedra of non-crystallographic group H3. M. Myronova (2021). Acta Cryst. A77, 296-316. 
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. 
Thermodynamics of lattice vibrations in non-cubic crystals: the zinc structure revisited. R. Tomaschitz (2021). Acta Cryst. A77, 420-432. 
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. 
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. 
Diffraction enhancement of symmetry and modular structures. A. Umayahara, B. Souvignier & M. Nespolo (2022). Acta Cryst. A78, 319-326. 
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, https://doi.org/10.1107/S2053273322012062. 
Piecewise-linear embeddings of knots and links with rotoinversion symmetry. M. O'Keeffe & M. M. J. Treacy (2021). Acta Cryst. A77, 392-398. 
Spin-resolved atomic orbital model refinement for combined charge and spin density analysis: application to the YTiO3 perovskite. I. Kibalin, A. B. Voufack, M. Souhassou, B. Gillon, J.-M. Gillet, N. Claiser, A. Gukasov, F. Porcher & C. Lecomte (2021). Acta Cryst. A77, 96-104. 
X-ray molecular orbital analysis. II. Application to diformohydrazide, (NHCHO)2. K. Tanaka & Y. Wasada-Tsutsui (2021). Acta Cryst. A77, 593-610. 
X-ray third-order nonlinear diffraction in the asymmetric reflection geometry. M. K. Balyan (2022). Acta Cryst. A78, 349-358. 
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