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

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ACTA
CRYSTALLOGRAPHICA
The structure of sodium thymonucleate fibres. I. The influence of water content. R. E. Franklin & R. G. Gosling (1953). Acta Cryst. 6, 673-677. 
The structure of sodium thymonucleate fibres. II. The cylindrically symmetrical Patterson function. R. E. Franklin & R. G. Gosling (1953). Acta Cryst. 6, 678-685. 
The packing of [alpha]-helices: simple coiled-coils. F. H. C. Crick (1953). Acta Cryst. 6, 689-697. 
The crystal structure of Cs2I8(CsI4). E. E. Havinga, K. H. Boswijk & E. H. Wiebenga (1954). Acta Cryst. 7, 487-490. 
Peter Debye, 1884-1966. P. P. Ewald (1967). Acta Cryst. 22, 947-949. 
Arthur Lindo Patterson, 1902-1966. R. E. Marsh & D. P. Shoemaker (1967). Acta Cryst. 22, 749-750. 
The crystal structure of ferrocene. J. D. Dunitz, L. E. Orgel & A. Rich (1956). Acta Cryst. 9, 373-375. 
The scattering of electrons by atoms and crystals. I. A new theoretical approach. J. M. Cowley & A. F. Moodie (1957). Acta Cryst. 10, 609-619. 
Polymorphism in potassium niobate, sodium niobate, and other ABO3 compounds. E. A. Wood (1951). Acta Cryst. 4, 353-362. 
The Fourier transform of a coiled-coil. F. H. C. Crick (1953). Acta Cryst. 6, 685-689. 
Angle calculations for 3- and 4-circle X-ray and neutron diffractometers. W. R. Busing & H. A. Levy (1967). Acta Cryst. 22, 457-464. 
The crystal structures of WTe2 and high-temperature MoTe2. B. E. Brown (1966). Acta Cryst. 20, 268-274. 
The crystal structure of zinc acetate dihydrate, Zn(CH3COO)2.2H2O. J. N. van Niekerk, F. R. L. Schoening & J. H. Talbot (1953). Acta Cryst. 6, 720-723. 
Line profiles of neutron powder-diffraction peaks for structure refinement. H. M. Rietveld (1967). Acta Cryst. 22, 151-152. 
The crystal structure of silk fibroin. J. O. Warwicker (1954). Acta Cryst. 7, 565-573. 
Gmelin Handbuch der anorganischen Chemie. (Book received). Book-review editor (1950). Acta Cryst. 3, 80. 
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FOUNDATIONS
ADVANCES
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. 
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. 
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. 
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. 
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. 
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. 
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. 
Pure discrete spectrum and regular model sets on some non-unimodular substitution tilings. J.-Y. Lee (2022). Acta Cryst. A78, 437-451. 
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STRUCTURAL SCIENCE
CRYSTAL ENGINEERING
MATERIALS
Analytic description of nanowires II: morphing of regular cross sections for zincblende- and diamond-structures to match arbitrary shapes. D. König & S. C. Smith (2022). Acta Cryst. B78, 643-664. 
Crystal structures. H.-B. Bürgi (2022). Acta Cryst. B78, 283-289. 
Structure correlation and dynamics in crystals – a tribute to Hans-Beat Bürgi. S. Grabowsky & M. A. Spackman (2022). Acta Cryst. B78, 281-282. 
Interplay of thermal diffuse scattering and correlated compositional disorder in KCl1–xBrx. E. M. Schmidt, S. Thomas, J. M. Bulled, A. Minelli & A. L. Goodwin (2022). Acta Cryst. B78, 385-391. 
Dynamics and disorder: on the stability of pyrazinamide polymorphs. A. A. Hoser, T. Rekis & A. Ø. Madsen (2022). Acta Cryst. B78, 416-424. 
Structure determination from unindexed powder data from scratch by a global optimization approach using pattern comparison based on cross-correlation functions. S. Habermehl, C. Schlesinger & M. U. Schmidt (2022). Acta Cryst. B78, 195-213. 
Low-frequency lattice vibrations from atomic displacement parameters of α-FOX-7, a high energy density material. T. Aree, C. J. McMonagle, A. A. L. Michalchuk & D. Chernyshov (2022). Acta Cryst. B78, 376-384. 
N-Iodosaccharin–pyridine co-crystal system under pressure: experimental evidence of reversible twinning. V. Vijayakumar-Syamala, E. Aubert, M. Deutsch, E. Wenger, A. Dhaka, M. Fourmigué, M. Nespolo & E. Espinosa (2022). Acta Cryst. B78, 436-449. 
Circumventing a challenging aspect of crystal structure determination from powder diffraction data. K. D. M. Harris (2022). Acta Cryst. B78, 96-99. 
Ab initio simulations of α- and β-ammonium carbamate (NH4·NH2CO2), and the thermal expansivity of deuterated α-ammonium carbamate from 4.2 to 180 K by neutron powder diffraction. C. M. Howard, I. G. Wood, K. S. Knight & A. D. Fortes (2022). Acta Cryst. B78, 459-475. 
π-Hole bonding in a new co-crystal hydrate of gallic acid and pyrazine: static and dynamic charge density analysis. R. Pal, C. Jelsch, K. Momma & S. Grabowsky (2022). Acta Cryst. B78, 231-246. 
X-ray constrained wavefunctions based on Hirshfeld atoms. I. Method and review. M. L. Davidson, S. Grabowsky & D. Jayatilaka (2022). Acta Cryst. B78, 312-332. 
Obtaining diffuse scattering patterns from computer simulations – a retrospective. T. R. Welberry (2022). Acta Cryst. B78, 344-355. 
X-ray constrained wavefunctions based on Hirshfeld atoms. II. Reproducibility of electron densities in crystals of α-oxalic acid dihydrate. M. L. Davidson, S. Grabowsky & D. Jayatilaka (2022). Acta Cryst. B78, 397-415. 
Bone hierarchical structure: spatial variation across length scales. N. K. Wittig & H. Birkedal (2022). Acta Cryst. B78, 305-311. 
A four-dimensional model for the Ba–Ti–O dodeca­gonal quasicrystal. T. Yamada (2022). Acta Cryst. B78, 247-252. 
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STRUCTURAL
CHEMISTRY
Psilocybin: crystal structure solutions enable phase analysis of prior art and recently patented examples. A. M. Sherwood, R. B. Kargbo, K. W. Kaylo, N. V. Cozzi, P. Meisenheimer & J. A. Kaduk (2022). Acta Cryst. C78, 36-55. 
Geometric isomers of di­chlorido­iron(III) com­plexes of CTMC (5,7,12,14-tetra­methyl-1,4,8,11-tetra­aza­cyclo­tetra­deca­ne). S. S. DeLancey, R. A. Clendening, M. Zeller & T. Ren (2022). Acta Cryst. C78, 507-514. 
Comment on molybdenum polyoxo clusters: from the `Blues' to the `Reds'. B. Krebs (2022). Acta Cryst. C78, 322-323. 
Weaving a 2D net of hydrogen and halogen bonds: cocrystal of a pyrazolium bromide with tetra­fluoro­diiodo­benzene. S. van Terwingen, B. Ebel, R. Wang & U. Englert (2022). Acta Cryst. C78, 324-331. 
Synthesis and characterization of the `Japanese rice-ball'-shaped Molybdenum Blue Na4[Mo2O2(OH)4(C6H4NO2)2]2[Mo120Ce6O366H12(OH)2(H2O)76]∼200H2O. E. Al-Sayed, E. Tanuhadi, G. Giester & A. Rompel (2022). Acta Cryst. C78, 299-304. 
Crystal and mol­ecular structures of fac-[Re(Bid)(PPh3)(CO)3] [Bid is tropolone (TropH) and tri­bromo­tropolone (TropBr3H)]. M. Schutte-Smith & H. G. Visser (2022). Acta Cryst. C78, 351-359. 
Crystallographic hallucinations. B. H. Toby (2022). Acta Cryst. C78, 70-71. 
Investigating pair distribution function use in analysis of nanocrystalline hy­droxy­apatite and carbonate-substituted hy­droxy­apatite. E. L. Arnold, D. S. Keeble, J. P. O. Evans, C. Greenwood & K. D. Rogers (2022). Acta Cryst. C78, 271-279. 
Synthesis and structure of two isomers of a molybdenum(II) 2-butyne com­plex stabilized by bioinspired S,N-bidentate ligands. M. A. Ehweiner, F. Belaj & N. C. Mösch-Zanetti (2022). Acta Cryst. C78, 218-222. 
8-Furyl­imidazolo-2′-de­oxy­cytidine: crystal structure, packing, atropisomerism and fluorescence. S. Budow-Busse, S. K. Jana, D. Kondhare, C. Daniliuc & F. Seela (2022). Acta Cryst. C78, 141-147. 
Coordination chemistry of nitrile-functionalized mixed thia-aza macrocycles [9]aneN2S and [9]aneNS2 towards silver(I). A. J. Blake, V. Lippolis & M. Schröder (2022). Acta Cryst. C78, 169-175. 
Coordination chemistry of polynitriles. Part 9. Deca­cyano­ferrocene revisited: crystal and mol­ecular structure of cis-[{C5(CN)5}2(MeCN)4Fe]. K. Sünkel & T. Blockhaus (2022). Acta Cryst. C78, 94-100. 
The 2′-de­oxy­ribo­furan­oside of 3-phenyl­tetra­hydropyrimido[4,5-c]pyridazin-7-one: a bicyclic nucleoside with sugar residues in N and S con­formations, and its mol­ecular recognition. H. Mei, S. Budow-Busse, D. Kondhare, H. Eickmeier, H. Reuter & F. Seela (2022). Acta Cryst. C78, 382-389. 
Synthesis, structural analysis, and docking studies with SARS-CoV-2 of a trinuclear zinc com­plex with N-phenyl­anthranilic acid ligands. A. L. Mbani O., E. F. Bonnand, A. G. Paboudam, J. P. Brannon, K. D. Gardner-Ricossa, S. C. E. Stieber & M. O. Agwara (2022). Acta Cryst. C78, 231-239. 
Structural studies of various olmesartan solvates. I. G. Grosu, F. Martin, A. Turza, M. Miclaus, I. Kacso & G. Borodi (2022). Acta Cryst. C78, 240-249. 
Crystal structures of three β-halolactic acids: hydrogen bonding resulting in differing Z′. M. N. Gordon, Y. Liu, I. H. Shafei, M. K. Brown & S. E. Skrabalak (2022). Acta Cryst. C78, 257-264. 
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BIOLOGICAL
CRYSTALLOGRAPHY
Structural dynamics: review of time-resolved cryo-EM. M.-E. Mäeots & R. I. Enchev (2022). Acta Cryst. D78, 927-935. 
High-resolution structure determination using high-throughput electron cryo-tomography. H.-F. Liu, Y. Zhou & A. Bartesaghi (2022). Acta Cryst. D78, 817-824. 
Microsecond melting and revitrification of cryo samples: protein structure and beam-induced motion. O. F. Harder, J. M. Voss, P. K. Olshin, M. Drabbels & U. J. Lorenz (2022). Acta Cryst. D78, 883-889. 
Protein structure prediction by AlphaFold2: are attention and symmetries all you need?. N. Bouatta, P. Sorger & M. AlQuraishi (2021). Acta Cryst. D77, 982-991. 
xia2.multiplex: a multi-crystal data-analysis pipeline. R. J. Gildea, J. Beilsten-Edmands, D. Axford, S. Horrell, P. Aller, J. Sandy, J. Sanchez-Weatherby, C. D. Owen, P. Lukacik, C. Strain-Damerell, R. L. Owen, M. A. Walsh & G. Winter (2022). Acta Cryst. D78, 752-769. 
Elucidation of protein function using computational docking and hotspot analysis by ClusPro and FTMap. G. Jones, A. Jindal, U. Ghani, S. Kotelnikov, M. Egbert, N. Hashemi, S. Vajda, D. Padhorny & D. Kozakov (2022). Acta Cryst. D78, 690-697. 
Lipidic cubic phase serial femtosecond crystallography structure of a photosynthetic reaction centre. P. Båth, A. Banacore, P. Börjesson, R. Bosman, C. Wickstrand, C. Safari, R. Dods, S. Ghosh, P. Dahl, G. Ortolani, T. Björg Ulfarsdottir, G. Hammarin, M.-J. García Bonete, A. Vallejos, L. Ostojić, P. Edlund, J.-B. Linse, R. Andersson, E. Nango, S. Owada, R. Tanaka, K. Tono, Y. Joti, O. Nureki, F. Luo, D. James, K. Nass, P. J. M. Johnson, G. Knopp, D. Ozerov, C. Cirelli, C. Milne, S. Iwata, G. Brändén & R. Neutze (2022). Acta Cryst. D78, 698-708. 
Sequence-assignment validation in cryo-EM models with checkMySequence. G. Chojnowski (2022). Acta Cryst. D78, 806-816. 
Determining the oxidation state of elements by X-ray crystallography. F. Lennartz, J.-H. Jeoung, S. Ruenger, H. Dobbek & M. S. Weiss (2022). Acta Cryst. D78, 238-247. 
Raw diffraction data are our ground truth from which all subsequent workflows develop. J. R. Helliwell (2022). Acta Cryst. D78, 683-689. 
Structural basis of human LRG1 recognition by Magacizumab, a humanized monoclonal antibody with therapeutic potential. J. Gutiérrez-Fernández, F. Javaid, G. De Rossi, V. Chudasama, J. Greenwood, S. E. Moss & H. Luecke (2022). Acta Cryst. D78, 725-734. 
Pentameric assembly of the Kv2.1 tetramerization domain. Z. Xu, S. Khan, N. J. Schnicker & S. Baker (2022). Acta Cryst. D78, 792-802. 
Polyelectrolyte coating of cryo-EM grids improves lateral distribution and prevents aggregation of macromolecules. D. Hrebík, M. Gondová, L. Valentová, T. Füzik, A. Přidal, J. Nováček & P. Plevka (2022). Acta Cryst. D78, 1337-1346. 
Validation analysis of EMDB entries. Z. Wang, A. Patwardhan & G. J. Kleywegt (2022). Acta Cryst. D78, 542-552. 
Monomodular Pseudomonas aeruginosa phage JG004 lysozyme (Pae87) contains a bacterial surface-active antimicrobial peptide-like region and a possible substrate-binding subdomain. R. Vázquez, M. Seoane-Blanco, V. Rivero-Buceta, S. Ruiz, M. J. van Raaij & P. García (2022). Acta Cryst. D78, 435-454. 
Development of CryoVR, a virtual reality training system for hands-on cryoEM operations. J. Dong, D. Li, K. Ozcan, D. Wan, W. Jiang & Y. Chen (2022). Acta Cryst. D78, 903-910. 
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CRYSTALLOGRAPHIC
COMMUNICATIONS
The crystal structure of baeocystin. M. Naeem, A. M. Sherwood, A. R. Chadeayne, J. A. Golen & D. R. Manke (2022). Acta Cryst. E78, 550-553. 
Synthesis and crystal structure of rac-2-(1,3-dioxo­isoindolin-2-yl)ethyl 4-methyl-N-phenyl-N′-(tri­iso­propyl­sil­yl)benzene­sulfondiimidoate: the first member of a new substance class. E. Friedrich, T. Heinrich, L. Rosenberger, M. Krier, S. Marek & M. Reggelin (2022). Acta Cryst. E78, 699-702. 
Crystal structure of serotonin. M. Naeem, A. R. Chadeayne, J. A. Golen & D. R. Manke (2022). Acta Cryst. E78, 365-368. 
Crystal structures of methyl 3,5-di­methyl­benzoate, 3,5-bis­(bromo­meth­yl)phenyl acetate and 5-hy­droxy­benzene-1,3-dicarbaldehyde. B. Ebersbach, W. Seichter & M. Mazik (2022). Acta Cryst. E78, 682-686. 
Crystal structures of two dioxomolybdenum complexes stabilized by salan ligands featuring phenyl and cyclo­hexyl backbones. T. Trieu-Tran, S. N. Martinez, J. P. Brannon, S. C. E. Stieber & A. John (2022). Acta Cryst. E78, 244-250. 
Crystal structure of 1H-imidazole-1-methanol. M. M. Wysocki, G. Puzovic, K. L. Dowell, E. W. Reinheimer & D. L. Gerlach (2022). Acta Cryst. E78, 377-380. 
Crystal structure and Hirshfeld surface analysis of 2-chloro-N-(4-meth­oxy­phen­yl)acetamide. M. Missioui, W. Guerrab, I. Nchioua, A. El Moutaouakil Ala Allah, C. Kalonji Mubengayi, A. Alsubari, J. T. Mague & Y. Ramli (2022). Acta Cryst. E78, 687-690. 
Crystal structure and Hirshfeld surface analysis of 2,2′-(phenyl­aza­nedi­yl)bis­(1-phenyl­ethan-1-one). F. N. Naghiyev, V. N. Khrustalev, M. G. Safronenko, M. Akkurt, A. N. Khalilov, A. Bhattarai & İ.G. Mamedov (2022). Acta Cryst. E78, 691-694. 
Crystal structure and Hirshfeld surface analysis of 2,4,6-tri­amino­pyrimidine-1,3-diium dinitrate. S. Dilshad, E. B. Çınar, A. Ali, A. Ahmed, M. J. Alam, M. Ahmad, A. Ahmad, N. Dege & E. Saif (2022). Acta Cryst. E78, 669-674. 
Ciprofloxacin salt and salt co-crystal with di­hydroxy­benzoic acids. Y. P. Nugraha, H. Sugiyama & H. Uekusa (2022). Acta Cryst. E78, 259-263. 
Incorporation of in situ generated 3,3′-(sulfane­diyl)bis­(1-methyl-1,3-imidazolidine-2-thione) into a one-dimensional CuI coordination polymer with sulfur-bridged {CuI4S10}n central cores. T. S. Lobana, R. J. Butcher & J. P. Jasinski (2022). Acta Cryst. E78, 540-544. 
Crystal structure and Hirshfeld surface analysis of 5-amino-5′-bromo-2′-oxo-2,3-di­hydro-1H-spiro­[imidazo[1,2-a]pyridine-7,3′-indoline]-6,8-dicarbo­nitrile dimethyl sulfoxide disolvate. F. N. Naghiyev, V. N. Khrustalev, A. P. Novikov, M. Akkurt, R. M. Rzayev, A. A. Akobirshoeva & I. G. Mamedov (2022). Acta Cryst. E78, 554-558. 
A new pseudopolymorph of berberine chloride: crystal structure and Hirshfeld surface analysis. T. Kornilova, V. Glebov, R. Castañeda & T. V. Timofeeva (2022). Acta Cryst. E78, 468-472. 
The co-crystal 4,6-di­acetyl­resorcinol–1-amino­pyrene (2/1). M. A. Magrashi & E. S. Aazam (2022). Acta Cryst. E78, 679-681. 
Crystal-structure studies of 4-phenyl­piperazin-1-ium 4-eth­oxy­benzoate monohydrate, 4-phenyl­piperazin-1-ium 4-meth­oxy­benzoate monohydrate, 4-phenyl­piperazin-1-ium 4-methyl­benzoate monohydrate and 4-phenyl­piperazin-1-ium tri­fluoro­acetate 0.12-hydrate. N. Mahesha, H. K. Kumar, M. Akkurt, H. S. Yathirajan, S. Foro, M. S. M. Abdelbaky & S. Garcia-Granda (2022). Acta Cryst. E78, 709-715. 
Crystal structure and Hirshfeld surface analysis of 4-bromo-2-[3-methyl-5-(2,4,6-tri­methyl­benz­yl)oxazolidin-2-yl]phenol. A. N. Khalilov, V. N. Khrustalev, E. A. Fortalnova, M. Akkurt, S. Ö. Yıldırım, A. Bhattarai & İ.G. Mamedov (2022). Acta Cryst. E78, 695-698. 
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STRUCTURAL BIOLOGY
COMMUNICATIONS
In situ crystal data-collection and ligand-screening system at SPring-8. H. Okumura, N. Sakai, H. Murakami, N. Mizuno, Y. Nakamura, G. Ueno, T. Masunaga, T. Kawamura, S. Baba, K. Hasegawa, M. Yamamoto & T. Kumasaka (2022). Acta Cryst. F78, 241-251. 
Crystal structures of glutamyl-tRNA synthetase from Elizabethkingia anopheles and E. meningosepticum. L. Brooks, S. Subramanian, D. M. Dranow, S. J. Mayclin, P. J. Myler & O. A. Asojo (2022). Acta Cryst. F78, 306-312. 
Crystal structure of an extracellular superoxide dismutase from Onchocerca volvulus and implications for parasite-specific drug development. A. Moustafa, M. Perbandt, E. Liebau, C. Betzel & S. Falke (2022). Acta Cryst. F78, 232-240. 
Serial crystallography with multi-stage merging of thousands of images. A. S. Soares, Y. Yamada, J. Jakoncic, S. McSweeney, R. M. Sweet, J. Skinner, J. Foadi, M. R. Fuchs, D. K. Schneider, W. Shi, B. Andi, L. C. Andrews & H. J. Bernstein (2022). Acta Cryst. F78, 281-288. 
Crystal structure of the kringle domain of human receptor tyrosine kinase-like orphan receptor 1 (hROR1). S. R. Guarino, A. Di Bello, M. Palamini, M. C. Capillo & F. Forneris (2022). Acta Cryst. F78, 185-192. 
Crystal structure of an inorganic pyrophosphatase from Chlamydia trachomatis D/UW-3/Cx. J. Maddy, B. L. Staker, S. Subramanian, J. Abendroth, T. E. Edwards, P. J. Myler, K. Hybiske & O. A. Asojo (2022). Acta Cryst. F78, 135-142. 
Conformational flexibility in the zinc solute-binding protein ZnuA. E. L. Yekwa, F. A. Serrano & E. Yukl (2022). Acta Cryst. F78, 128-134. 
6-Phosphogluconate dehydrogenase and its crystal structures. S. Hanau & J. R. Helliwell (2022). Acta Cryst. F78, 96-112. 
Expression, purification and crystallization of a novel metagenome-derived salicylaldehyde dehydrogenase from Alpine soil. S. U. Dandare, M. Håkansson, L. A. Svensson, D. J. Timson & C. C. R. Allen (2022). Acta Cryst. F78, 161-169. 
A crystal-processing machine using a deep-ultraviolet laser: application to long-wavelength native SAD experiments. Y. Kawano, M. Hikita, N. Matsugaki, M. Yamamoto & T. Senda (2022). Acta Cryst. F78, 88-95. 
Crystal structure of the ternary complex of Leishmania major pteridine reductase 1 with the cofactor NADP+/NADPH and the substrate folic acid. L. Dello Iacono, F. Di Pisa & S. Mangani (2022). Acta Cryst. F78, 170-176. 
Biochemical and crystallization analysis of the CENP-SX–DNA complex. S. Ito & T. Nishino (2022). Acta Cryst. F78, 193-199. 
Crystal structures of the ligand-binding domain of human peroxisome proliferator-activated receptor δ in complexes with phenylpropanoic acid derivatives and a pyridine carboxylic acid derivative. T. Oyama, K. Takiguchi & H. Miyachi (2022). Acta Cryst. F78, 81-87. 
Crystal structure of a hypothetical protein from Giardia lamblia. D. K. Beard, S. Bristol, K. Cosby, A. Davis, C. Manning, L. Perry, L. Snapp, A. Toy, K. Wheeler, J. Young, B. Staker, T. L. Arakaki, J. Abendroth, S. Subrahamanian, T. E. Edwards, P. J. Myler & O. A. Asojo (2022). Acta Cryst. F78, 59-65. 
Crystal structure of a hypothetical protein from Giardia lamblia. Corrigendum. D. K. Beard, S. Bristol, K. Cosby, A. Davis, C. Manning, L. Perry, L. Snapp, A. Toy, K. Wheeler, J. Young, B. Staker, T. L. Arakaki, J. Abendroth, S. Subramanian, T. E. Edwards, P. J. Myler & O. A. Asojo (2022). Acta Cryst. F78, 143. 
Crystal structure of betaine aldehyde dehydrogenase from Burkholderia pseudomallei. D. K. Beard, S. Subramanian, J. Abendroth, D. M. Dranow, T. E. Edwards, P. J. Myler & O. A. Asojo (2022). Acta Cryst. F78, 45-51. 
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IUCrJ
Whither structural biologists?. G. J. Kleywegt & S. Velankar (2022). IUCrJ 9, 399-400. 
Higher resolution in cryo-EM by the combination of macromolecular prior knowledge and image-processing tools. E. Ramírez-Aportela, J. M. Carazo & C. O. S. Sorzano (2022). IUCrJ 9, 632-638. 
The tem­per­ature-dependent conformational ensemble of SARS-CoV-2 main protease (Mpro). A. Ebrahim, B. T. Riley, D. Kumaran, B. Andi, M. R. Fuchs, S. McSweeney & D. A. Keedy (2022). IUCrJ 9, 682-694. 
MicroED: conception, practice and future opportunities. M. T. B. Clabbers, A. Shiriaeva & T. Gonen (2022). IUCrJ 9, 169-179. 
Complementarity of neutron, XFEL and synchrotron crystallography for defining the structures of metalloenzymes at room temperature. T. Moreno-Chicano, L. M. Carey, D. Axford, J. H. Beale, R. B. Doak, H. M. E. Duyvesteyn, A. Ebrahim, R. W. Henning, D. C. F. Monteiro, D. A. Myles, S. Owada, D. A. Sherrell, M. L. Straw, V. Šrajer, H. Sugimoto, K. Tono, T. Tosha, I. Tews, M. Trebbin, R. W. Strange, K. L. Weiss, J. A. R. Worrall, F. Meilleur, R. L. Owen, R. A. Ghiladi & M. A. Hough (2022). IUCrJ 9, 610-624. 
High-speed high-resolution data collection on a 200 keV cryo-TEM. J. V. Peck, J. F. Fay & J. D. Strauss (2022). IUCrJ 9, 243-252. 
Accurate crystal structure of ice VI from X-ray diffraction with Hirshfeld atom refinement. M. L. Chodkiewicz, R. Gajda, B. Lavina, S. Tkachev, V. B. Prakapenka, P. Dera & K. Wozniak (2022). IUCrJ 9, 573-579. 
Orthorhombic charge density wave on the tetragonal lattice of EuAl4. S. Ramakrishnan, S. R. Kotla, T. Rekis, J.-K. Bao, C. Eisele, L. Noohinejad, M. Tolkiehn, C. Paulmann, B. Singh, R. Verma, B. Bag, R. Kulkarni, A. Thamizhavel, B. Singh, S. Ramakrishnan & S. van Smaalen (2022). IUCrJ 9, 378-385. 
Unsupervised learning approaches to characterizing heterogeneous samples using X-ray single-particle imaging. Y. Zhuang, S. Awel, A. Barty, R. Bean, J. Bielecki, M. Bergemann, B. J. Daurer, T. Ekeberg, A. D. Estillore, H. Fangohr, K. Giewekemeyer, M. S. Hunter, M. Karnevskiy, R. A. Kirian, H. Kirkwood, Y. Kim, J. Koliyadu, H. Lange, R. Letrun, J. Lübke, A. Mall, T. Michelat, A. J. Morgan, N. Roth, A. K. Samanta, T. Sato, Z. Shen, M. Sikorski, F. Schulz, J. C. H. Spence, P. Vagovic, T. Wollweber, L. Worbs, P. L. Xavier, O. Yefanov, F. R. N. C. Maia, D. A. Horke, J. Küpper, N. D. Loh, A. P. Mancuso, H. N. Chapman & K. Ayyer (2022). IUCrJ 9, 204-214. 
Solving molecular compounds from powder diffraction data: are results always reliable?. A. Altomare (2022). IUCrJ 9, 403-405. 
Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions. P. N. Ruth, R. Herbst-Irmer & D. Stalke (2022). IUCrJ 9, 286-297. 
How to get maximum structure information from anisotropic displacement parameters obtained by three-dimensional electron diffraction: an experimental study on metal–organic frameworks. L. Samperisi, X. Zou & Z. Huang (2022). IUCrJ 9, 480-491. 
Ambiguous structure determination from powder data: four different structural models of 4,11-di­fluoro­quinacridone with similar X-ray powder patterns, fit to the PDF, SSNMR and DFT-D. C. Schlesinger, A. Fitterer, C. Buchsbaum, S. Habermehl, M. R. Chierotti, C. Nervi & M. U. Schmidt (2022). IUCrJ 9, 406-424. 
Changes in active-site geometry on X-ray photoreduction of a lytic polysaccharide monooxygenase active-site copper and saccharide binding. T. Tandrup, S. J. Muderspach, S. Banerjee, G. Santoni, J. Ø. Ipsen, C. Hernández-Rollán, M. H. H. Nørholm, K. S. Johansen, F. Meilleur & L. Lo Leggio (2022). IUCrJ 9, 666-681. 
A novel X-ray diffraction approach to assess the crystallinity of regenerated cellulose fibers. L. Gentile, H. Sixta, C. Giannini & U. Olsson (2022). IUCrJ 9, 492-496. 
Crystal structure of a constitutive active mutant of adenosine A2A receptor. M. Cui, Q. Zhou, Y. Xu, Y. Weng, D. Yao, S. Zhao & G. Song (2022). IUCrJ 9, 333-341. 
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JOURNAL OF
APPLIED
CRYSTALLOGRAPHY
Neutron interference from a split-crystal interferometer. H. Lemmel, M. Jentschel, H. Abele, F. Lafont, B. Guerard, C. P. Sasso, G. Mana & E. Massa (2022). J. Appl. Cryst. 55, 870-875. 
CrystalExplorer: a program for Hirshfeld surface analysis, visualization and quantitative analysis of molecular crystals. P. R. Spackman, M. J. Turner, J. J. McKinnon, S. K. Wolff, D. J. Grimwood, D. Jayatilaka & M. A. Spackman (2021). J. Appl. Cryst. 54, 1006-1011. 
MoloVol: an easy-to-use program for analyzing cavities, volumes and surface areas of chemical structures. J. B. Maglic & R. Lavendomme (2022). J. Appl. Cryst. 55, 1033-1044. 
The four Rs and crystal structure analysis: reliability, reproducibility, replicability and reusability. J. R. Helliwell & C. Massera (2022). J. Appl. Cryst. 55, 1351-1358. 
QUANTAS: a Python software for the analysis of thermodynamics and elastic behavior of solids from ab initio quantum mechanical simulations and experimental data. G. Ulian & G. Valdrè (2022). J. Appl. Cryst. 55, 386-396. 
LaueNN: neural-network-based hkl recognition of Laue spots and its application to polycrystalline materials. R. R. P. Purushottam Raj Purohit, S. Tardif, O. Castelnau, J. Eymery, R. Guinebretière, O. Robach, T. Ors & J.-S. Micha (2022). J. Appl. Cryst. 55, 737-750. 
A multipurpose laboratory diffractometer for operando powder X-ray diffraction investigations of energy materials. H. Geßwein, P. Stüble, D. Weber, J. R. Binder & R. Mönig (2022). J. Appl. Cryst. 55, 503-514. 
pdCIFplotter: visualizing powder diffraction data in pdCIF format. M. R. Rowles (2022). J. Appl. Cryst. 55, 631-637. 
Insights into a dual-phase steel microstructure using EBSD and image-processing-based workflow. M. Mollens, S. Roux, F. Hild & A. Guery (2022). J. Appl. Cryst. 55, 601-610. 
Classification of diffraction patterns using a convolutional neural network in single-particle-imaging experiments performed at X-ray free-electron lasers. D. Assalauova, A. Ignatenko, F. Isensee, D. Trofimova & I. A. Vartanyants (2022). J. Appl. Cryst. 55, 444-454. 
Scipion-ED: a graphical user interface for batch processing and analysis of 3D ED/MicroED data. V. E. G. Bengtsson, L. Pacoste, J. M. de la Rosa-Trevin, G. Hofer, X. Zou & H. Xu (2022). J. Appl. Cryst. 55, 638-646. 
Bragg coherent diffraction imaging of single 20 nm Pt particles at the ID01-EBS beamline of ESRF. M.-I. Richard, S. Labat, M. Dupraz, N. Li, E. Bellec, P. Boesecke, H. Djazouli, J. Eymery, O. Thomas, T. U. Schülli, M. K. Santala & S. J. Leake (2022). J. Appl. Cryst. 55, 621-625. 
Lower uncertainty bounds of diffraction-based nanoparticle sizes. İ.C. Noyan & H. Öztürk (2022). J. Appl. Cryst. 55, 455-470. 
The FUSION protein crystallization screen. F. Gorrec & D. Bellini (2022). J. Appl. Cryst. 55, 310-319. 
Automated matching of two-time X-ray photon correlation maps from phase-separating proteins with Cahn–Hilliard-type simulations using auto-encoder networks. S. Timmermann, V. Starostin, A. Girelli, A. Ragulskaya, H. Rahmann, M. Reiser, N. Begam, L. Randolph, M. Sprung, F. Westermeier, F. Zhang, F. Schreiber & C. Gutt (2022). J. Appl. Cryst. 55, 751-757. 
SAXSDOG: open software for real-time azimuthal integration of 2D scattering images. M. Burian, C. Meisenbichler, D. Naumenko & H. Amenitsch (2022). J. Appl. Cryst. 55, 677-685. 
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JOURNAL OF
SYNCHROTRON
RADIATION
pyXPCSviewer: an open-source interactive tool for X-ray photon correlation spectroscopy visualization and analysis. M. Chu, J. Li, Q. Zhang, Z. Jiang, E. M. Dufresne, A. Sandy, S. Narayanan & N. Schwarz (2022). J. Synchrotron Rad. 29, 1122-1129. 
3D printed devices and infrastructure for liquid sample delivery at the European XFEL. M. Vakili, J. Bielecki, J. Knoška, F. Otte, H. Han, M. Kloos, R. Schubert, E. Delmas, G. Mills, R. de Wijn, R. Letrun, S. Dold, R. Bean, A. Round, Y. Kim, F. A. Lima, K. Dörner, J. Valerio, M. Heymann, A. P. Mancuso & J. Schulz (2022). J. Synchrotron Rad. 29, 331-346. 
Real-time streaming tomographic reconstruction with on-demand data capturing and 3D zooming to regions of interest. V. Nikitin, A. Tekawade, A. Duchkov, P. Shevchenko & F. De Carlo (2022). J. Synchrotron Rad. 29, 816-828. 
The Inner Shell Spectroscopy beamline at NSLS-II: a facility for in situ and operando X-ray absorption spectroscopy for materials research. D. Leshchev, M. Rakitin, B. Luvizotto, R. Kadyrov, B. Ravel, K. Attenkofer & E. Stavitski (2022). J. Synchrotron Rad. 29, 1095-1106. 
ID23-2: an automated and high-performance microfocus beamline for macromolecular crystallography at the ESRF. M. Nanao, S. Basu, U. Zander, T. Giraud, J. Surr, M. Guijarro, M. Lentini, F. Felisaz, J. Sinoir, C. Morawe, A. Vivo, A. Beteva, M. Oscarsson, H. Caserotto, F. Dobias, D. Flot, D. Nurizzo, J. Gigmes, N. Foos, R. Siebrecht, T. Roth, P. Theveneau, O. Svensson, G. Papp, B. Lavault, F. Cipriani, R. Barrett, C. Clavel & G. Leonard (2022). J. Synchrotron Rad. 29, 581-590. 
The time-resolved atomic, molecular and optical science instrument at the Linac Coherent Light Source. P. Walter, T. Osipov, M.-F. Lin, J. Cryan, T. Driver, A. Kamalov, A. Marinelli, J. Robinson, M. H. Seaberg, T. J. A. Wolf, J. Aldrich, N. Brown, E. G. Champenois, X. Cheng, D. Cocco, A. Conder, I. Curiel, A. Egger, J. M. Glownia, P. Heimann, M. Holmes, T. Johnson, L. Lee, X. Li, S. Moeller, D. S. Morton, M. L. Ng, K. Ninh, J. T. O'Neal, R. Obaid, A. Pai, W. Schlotter, J. Shepard, N. Shivaram, P. Stefan, X. Van, A. L. Wang, H. Wang, J. Yin, S. Yunus, D. Fritz, J. James & J.-C. Castagna (2022). J. Synchrotron Rad. 29, 957-968. 
Shot-to-shot two-dimensional photon intensity diagnostics within megahertz pulse-trains at the European XFEL. T. W. Guest, R. Bean, J. Bielecki, S. Birnsteinova, G. Geloni, M. Guetg, R. Kammering, H. J. Kirkwood, A. Koch, D. M. Paganin, G. van Riessen, P. Vagovič, R. de Wijn, A. P. Mancuso & B. Abbey (2022). J. Synchrotron Rad. 29, 939-946. 
Tofu: a fast, versatile and user-friendly image processing toolkit for computed tomography. T. Faragó, S. Gasilov, I. Emslie, M. Zuber, L. Helfen, M. Vogelgesang & T. Baumbach (2022). J. Synchrotron Rad. 29, 916-927. 
Implementing and evaluating far-field 3D X-ray diffraction at the I12 JEEP beamline, Diamond Light Source. J. A. D. Ball, A. Kareer, O. V. Magdysyuk, S. Michalik, A. Vrettou, N. Parkes, T. Connolley & D. M. Collins (2022). J. Synchrotron Rad. 29, 1043-1053. 
I21: an advanced high-resolution resonant inelastic X-ray scattering beamline at Diamond Light Source. K.-J. Zhou, A. Walters, M. Garcia-Fernandez, T. Rice, M. Hand, A. Nag, J. Li, S. Agrestini, P. Garland, H. Wang, S. Alcock, I. Nistea, B. Nutter, N. Rubies, G. Knap, M. Gaughran, F. Yuan, P. Chang, J. Emmins & G. Howell (2022). J. Synchrotron Rad. 29, 563-580. 
An automated approach to the alignment of compound refractive lenses. S. Breckling, B. Kozioziemski, L. Dresselhaus-Marais, A. Gonzalez, A. Williams, H. Simons, P. Chow & M. Howard (2022). J. Synchrotron Rad. 29, 947-956. 
Towards performing high-resolution inelastic X-ray scattering measurements at hard X-ray free-electron lasers coupled with energetic laser drivers. A. Descamps, B. K. Ofori-Okai, J. K. Baldwin, Z. Chen, L. B. Fletcher, S. H. Glenzer, N. J. Hartley, J. B. Hasting, D. Khaghani, M. Mo, B. Nagler, V. Recoules, R. Redmer, M. Schörner, P. Sun, Y. Q. Wang, T. G. White & E. E. McBride (2022). J. Synchrotron Rad. 29, 931-938. 
Mamba: a systematic software solution for beamline experiments at HEPS. Y. Liu, Y.-D. Geng, X.-X. Bi, X. Li, Y. Tao, J.-S. Cao, Y.-H. Dong & Y. Zhang (2022). J. Synchrotron Rad. 29, 664-669. 
Extreme conditions research using the large-volume press at the P61B endstation, PETRA III. R. Farla, S. Bhat, S. Sonntag, A. Chanyshev, S. Ma, T. Ishii, Z. Liu, A. Néri, N. Nishiyama, G. A. Faria, T. Wroblewski, H. Schulte-Schrepping, W. Drube, O. Seeck & T. Katsura (2022). J. Synchrotron Rad. 29, 409-423. 
3D-printed SAXS chamber for controlled in situ dialysis and optical characterization. T. Ehm, J. Philipp, M. Barkey, M. Ober, A. T. Brinkop, D. Simml, M. von Westphalen, B. Nickel, R. Beck & J. O. Rädler (2022). J. Synchrotron Rad. 29, 1014-1019. 
Serial macromolecular crystallography at ALBA Synchrotron Light Source. J. M. Martin-Garcia, S. Botha, H. Hu, R. Jernigan, A. Castellví, S. Lisova, F. Gil, B. Calisto, I. Crespo, S. Roy-Chowdhury, A. Grieco, G. Ketawala, U. Weierstall, J. Spence, P. Fromme, N. Zatsepin, D. R. Boer & X. Carpena (2022). J. Synchrotron Rad. 29, 896-907. 
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IUCrData
Bis(oxotremorine) fumarate bis­(fumaric acid). M. Naeem, A. R. Chadeayne, J. A. Golen & D. R. Manke (2022). IUCrData 7, x220364. 
Bis­(3-methyl-1-propyl-1,3-di­hydro-1H-imidazol-2-yl­idene)silver(I) chlor­ido(5,10,15,20-tetra­phenyl­porphin­ato)cadmate(II). J. P. J. Bruekers, J. A. A. W. Elemans, R. J. M. Nolte & P. Tinnemans (2022). IUCrData 7, x220489. 
2,6-Di­bromo-4-methyl­aniline. O. Brihi, M. Medjani, H. Bougueria, A. Djedouani, M. Francois, S. Fleutot & A. Boudjada (2022). IUCrData 7, x220577. 
4,4'-(Ethene-1,2-diyl)dipyridinium bis(2-hy­droxy-3-meth­oxy­benzoate). D. J. Angevine & J. B. Benedict (2022). IUCrData 7, x220510. 
(Phenyl­iodos­yl)benzene tosyl­ate dihydrate. T. J. Smith, G. Koser, Y. Chen, M. Zeller, R. Iacino & N. Selzer (2022). IUCrData 7, x220522. 
Bis[1,2-bis­(4-chloro­phen­yl)­ethyl­ene-1,2-dithiol­ato(1–)]nickel(II). S. Koehne, B. Mirmelli, J. T. Mague & J. P. Donahue (2022). IUCrData 7, x220148. 
1,1′-Methyl­enebis(4,4′-bipyridin-1-ium) dibromide. S. A. Schuster, V. V. Nesterov & B. W. Smucker (2022). IUCrData 7, x220526. 
Ethyl 2-[4-(4-meth­oxy­benz­yl)-3-methyl-6-oxopyridazin-1-yl]acetate. Y. Zaoui, H. Assila, J. T. Mague, A. Alsubari, J. Taoufik, Y. Ramli & M. Ansar (2022). IUCrData 7, x220582. 
trans-Carbonyl­chlorido­bis­(tri­ethyl­phosphane-κP)platinum(II) tetra­fluorido­borate. P. W. R. Corfield (2022). IUCrData 7, x220607. 
1,1′-Methyl­enebis{4-[(E)-2-(pyridin-4-yl)ethen­yl]pyridinium} dibromide dihydrate. H. C. Neal, V. V. Nesterov & B. W. Smucker (2022). IUCrData 7, x220525. 
1-(Methyl-α-D-gluco­pyran­osid-6-yl)-3-vinyl­imidazolium iodide di­methyl­formamide monosolvate. S. Lambrecht, A. Villinger & S. Jopp (2022). IUCrData 7, x220265. 
3-Isobutyl-5,5-di­phenyl­imidazolidine-2,4-dione. W. Guerrab, A. El Moutaouakil Ala Allah, A. Alsubari, J. T. Mague & Y. Ramli (2022). IUCrData 7, x220598. 
Poly[bis­[μ2-4,4′-bis­(imidazol-1-ylmeth­yl)biphenyl-κ2N:N′]di­chlorido­nickel(II)]. M. Deng, Y. Yin, S.-S. Wang, X.-Y. Qi & A.-X. Zhu (2022). IUCrData 7, x220377. 
Nitrato(5,10,15,20-tetra­phenyl­porphinato)manganese(III)–benzene–n-hexa­ne (2/1/1). H. Cao, J. Wang & J. Li (2022). IUCrData 7, x220386. 
(E)-5-(4-Methyl­benzyl­idene)-1-phenyl-4,5,6,7-tetra­hydro-1H-indazol-4-one. C. S. Meenatchi, S. Athimoolam, J. Suresh, R. V. Priya, S. R. Rubina & S. R. Bhandari (2022). IUCrData 7, x220283. 
catena-Poly[oxidanium [tris{μ-[amino(iminio)methyl]phosphonato}zincate(II)]]. E. Chachlaki, D. Choquesillo-Lazarte & K. D. Demadis (2022). IUCrData 7, x220247. 
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