most read articles

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 structure of graphitic carbons. R. E. Franklin (1951). Acta Cryst. 4, 253-261. 
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. 
The crystal structure of ferrocene. J. D. Dunitz, L. E. Orgel & A. Rich (1956). Acta Cryst. 9, 373-375. 
Arthur Lindo Patterson, 1902-1966. R. E. Marsh & D. P. Shoemaker (1967). Acta Cryst. 22, 749-750. 
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. 
The compound Sr3Ti2O7 and its structure. S. N. Ruddlesden & P. Popper (1958). Acta Cryst. 11, 54-55. 
The Fourier transform of a coiled-coil. F. H. C. Crick (1953). Acta Cryst. 6, 685-689. 
Polymorphism in potassium niobate, sodium niobate, and other ABO3 compounds. E. A. Wood (1951). Acta Cryst. 4, 353-362. 
Angle calculations for 3- and 4-circle X-ray and neutron diffractometers. W. R. Busing & H. A. Levy (1967). Acta Cryst. 22, 457-464. 
Einige Fragen zur Theorie der Lumineszenz der Kristalle by I. Adirowitsch. (Book received). Book-review editor (1955). Acta Cryst. 8, 70. 
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. 
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FOUNDATIONS
ADVANCES
Relativistic spacetime crystals. V. Gopalan (2021). Acta Cryst. A77, 242-256. 
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. 
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. 
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. 
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. 
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. 
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. 
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. 
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. 
Crystal diffraction prediction and partiality estimation using Gaussian basis functions. W. Brehm, T. White & H. N. Chapman (2023). Acta Cryst. A79, 145-162. 
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. 
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. 
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 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. 
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. 
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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. 
Direct interpretation of the X-ray and neutron three-dimensional difference pair distribution functions (3D-ΔPDFs) of yttria-stabilized zirconia. E. M. Schmidt, R. B. Neder, J. D. Martin, A. Minelli, M.-H. Lemée & A. L. Goodwin (2023). Acta Cryst. B79, https://doi.org/10.1107/S205252062300121X. 
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. 
Synthesis and structural characterization of a new dinuclear platinum(III) complex, [Pt2Cl4(NH3)2{μ-HN=C(O)But}2]. D. Vinci & D. Chateigner (2022). Acta Cryst. B78, 835-841. 
Design of a series of cocrystals featuring isoniazid modified with diacetone alcohol. M. C. Scheepers & A. Lemmerer (2022). Acta Cryst. B78, 857-867. 
Evolution of intermolecular contacts with temperature and pressure in bromoethane and iodo­ethane – a comparative study. M. Bujak, A. Olejniczak & M. Podsiadło (2022). Acta Cryst. B78, 868-875. 
Structure of boehmite-derived γ-alumina and its transformation mechanism revealed by electron crystallography. Z. Luo (2021). Acta Cryst. B77, 772-784. 
Crystal structures. H.-B. Bürgi (2022). Acta Cryst. B78, 283-289. 
Learning from approximate periodic symmetry in organic P1 structures. V. G. Young (2022). Acta Cryst. B78, 712-713. 
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. 
Lattice defects in quinacridone. D. Brey, B. Scherer & M. U. Schmidt (2022). Acta Cryst. B78, 763-780. 
Engineering the band gap and optical properties of a two-dimensional molybdenum carbon fluoride MXene. D. T. K. Anh, L. V. Mui, P. H. Minh, N. T. Binh & M. Cadatal-Raduban (2022). Acta Cryst. B78, 714-720. 
Heterocyclic 1,3-diazepine-based thio­nes and selones as versatile halogen-bond acceptors. A. C. Ragusa, A. J. Peloquin, M. M. Shahani, K. N. Dowling, J. A. Golen, C. D. McMillen, D. Rabinovich & W. T. Pennington (2022). Acta Cryst. B78, 745-755. 
A new home for studies of crystal growth and characterisation. A. J. Blake, M. de Boissieu, A. Nangia, E. Boldyreva, A. Katrusiak, T. B. Bekker & K. E. Knope (2021). Acta Cryst. B77, 456-457. 
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. 
One-dimensional diffuse scattering of 1,3-di(tert-butyl)cyclopentadienyl pentaphosphaferrocene modelled with closed-form expressions. B. Stöger, E. Peresypkina & A. Virovets (2022). Acta Cryst. B78, 734-744. 
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STRUCTURAL
CHEMISTRY
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. 
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. 
Halogen, chalcogen, and hydrogen bonding in organoiodine cocrystals of heterocyclic thio­nes: imidazolidine-2-thione, 2-mercaptobenzimidazole, 2-mercapto-5-methyl­benzimidazole, 2-mercaptobenzoxazole, and 2-mercaptobenzo­thia­zole. S. Watts, A. J. Peloquin, M. Bandara, C. D. McMillen & W. T. Pennington (2022). Acta Cryst. C78, 702-715. 
Complexes of 2,4,6-tri­hydroxy­benzoic acid: effects of intra­molecular hydro­gen bonding on ligand geometry and metal binding modes. B. F. Abrahams, C. J. Commons, T. A. Hudson, R. Sanchez Arlt, R. Ahl, E. D. Carajias, J. W. K. Chan, Z. Guo, R. E. Hill, A. McGinty, N. L. Peters, J. Y. P. Poon, J. Qu, J. Qu, E. E. Rochette, C. Walkear, H. Wang, H. Wu, C. Xu & J. Zhang (2022). Acta Cryst. C78, 653-670. 
N-Cyclo­amino substituent effects on the packing architecture of ortho-sul­fan­il­amide mol­ecular crystals and their in silico carbonic anhydrase II and IX inhibitory activities. S. O. Kolade, J. U. Izunobi, A. T. Gordon, E. C. Hosten, I. A. Olasupo, A. S. Ogunlaja, O. T. Asekun & O. B. Familoni (2022). Acta Cryst. C78, 730-742. 
Chalcogen bonding in the solid-state structures of 1,3-bis(benzimidazoliumyl)benzene-based chalcogen-bonding donors. T. Steinke, E. Engelage & S. M. Huber (2023). Acta Cryst. C79, 26-35. 
Crystal structure of potassium chloride monohydrate: water intercalation into the B1 structure of KCl under high pressure. K. Yamashita, K. Komatsu & H. Kagi (2022). Acta Cryst. C78, 749-754. 
Synthesis, and spectroscopic and structural characterization of three new styryl­quinoline–benzimidazole hybrids. D. M. Ardila, D. F. Rodríguez, A. Palma, I. Díaz Costa, J. Cobo & C. Glidewell (2022). Acta Cryst. C78, 671-680. 
Isolation and crystal and mol­ecular structures of [(C5H2Br3)2Fe], [(C5HBr4)2Fe] and [(C5Br5)(C5Br4HgBr)Fe]. T. Blockhaus & K. Sünkel (2022). Acta Cryst. C78, 578-590. 
3,4-Bis-O-propargyl-1,2:5,6-di-O-iso­propyl­idene-D-mannitol: a study of multiple weak hydrogen bonds in the solid state. A. I. Mohammed, M. M. Bhadbhade & R. W. Read (2022). Acta Cryst. C78, 629-646. 
A three-step pathway from (2-amino­phenyl)chal­cones to novel styryl­quinoline–chalcone hybrids: synthesis and spectroscopic and structural characterization of three examples. D. R. Vera, J. P. Mantilla, A. Palma, I. Díaz Costa, J. Cobo & C. Glidewell (2023). Acta Cryst. C79, 3-11. 
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. 
The centre cannot hold. A. Mar (2022). Acta Cryst. C78, 515-516. 
Hydrate formation at extreme conditions. S. Parsons (2023). Acta Cryst. C79, 1-2. 
Synthesis and spectroscopic and structural characterization of three new 2-methyl-4-styryl­quinolines formed using Friedländer reactions between (2-amino­phen­yl)chalcones and acetone. D. R. Vera, J. P. Mantilla, A. Palma, J. Cobo & C. Glidewell (2022). Acta Cryst. C78, 524-530. 
FeIII in the high-spin state in di­methyl­ammonium bis­[3-eth­oxy­salicyl­aldehyde thio­semi­car­ba­zon­ato(2–)-κ3O2,N1,S]ferrate(III). R. E. Powell, M. R. Lees, G. J. Tizzard, S. J. Coles, Q. Yuan & P. J. van Koningsbruggen (2023). Acta Cryst. C79, 18-24. 
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BIOLOGICAL
CRYSTALLOGRAPHY
Crystal structure of a covalently linked Aurora-A–MYCN complex. M. Diebold, L. Schönemann, M. Eilers, C. Sotriffer & H. Schindelin (2023). Acta Cryst. D79, 1-9. 
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. 
Errors in structural biology are not the exception. Y. Gao, V. Thorn & A. Thorn (2023). Acta Cryst. D79, 206-211. 
Structural dynamics: review of time-resolved cryo-EM. M.-E. Mäeots & R. I. Enchev (2022). Acta Cryst. D78, 927-935. 
Protein structure prediction by AlphaFold2: are attention and symmetries all you need?. N. Bouatta, P. Sorger & M. AlQuraishi (2021). Acta Cryst. D77, 982-991. 
30 years of Acta D. E. F. Garman, R. J. Read & C. S. Bond (2023). Acta Cryst. D79, 95-97. 
Putting AlphaFold models to work with phenix.process_predicted_model and ISOLDE. R. D. Oeffner, T. I. Croll, C. Millán, B. K. Poon, C. J. Schlicksup, R. J. Read & T. C. Terwilliger (2022). Acta Cryst. D78, 1303-1314. 
Determining biomolecular structures near room temperature using X-ray crystallography: concepts, methods and future optimization. R. E. Thorne (2023). Acta Cryst. D79, 78-94. 
Dependence of crystallographic atomic displacement parameters on temperature (25–150 K) for complexes of horse liver alcohol dehydrogenase. B. V. Plapp, L. Gakhar & R. Subramanian (2022). Acta Cryst. D78, 1221-1234. 
A round-robin approach provides a detailed assessment of biomolecular small-angle scattering data reproducibility and yields consensus curves for benchmarking. J. Trewhella, P. Vachette, J. Bierma, C. Blanchet, E. Brookes, S. Chakravarthy, L. Chatzimagas, T. E. Cleveland IV, N. Cowieson, B. Crossett, A. P. Duff, D. Franke, F. Gabel, R. E. Gillilan, M. Graewert, A. Grishaev, J. M. Guss, M. Hammel, J. Hopkins, Q. Huang, J. S. Hub, G. L. Hura, T. C. Irving, C. M. Jeffries, C. Jeong, N. Kirby, S. Krueger, A. Martel, T. Matsui, N. Li, J. Pérez, L. Porcar, T. Prangé, I. Rajkovic, M. Rocco, D. J. Rosenberg, T. M. Ryan, S. Seifert, H. Sekiguchi, D. Svergun, S. Teixeira, A. Thureau, T. M. Weiss, A. E. Whitten, K. Wood & X. Zuo (2022). Acta Cryst. D78, 1315-1336. 
Molecular-dynamics simulation methods for macromolecular crystallography. D. C. Wych, P. C. Aoto, L. Vu, A. M. Wolff, D. L. Mobley, J. S. Fraser, S. S. Taylor & M. E. Wall (2023). Acta Cryst. D79, 50-65. 
Exiting the tunnel of uncertainty: crystal soak to validated hit. M. P. Martin & M. E. M. Noble (2022). Acta Cryst. D78, 1294-1302. 
Protein model refinement for cryo-EM maps using AlphaFold2 and the DAQ score. G. Terashi, X. Wang & D. Kihara (2023). Acta Cryst. D79, 10-21. 
Cryo-EM single-particle structure refinement and map calculation using Servalcat. K. Yamashita, C. M. Palmer, T. Burnley & G. N. Murshudov (2021). Acta Cryst. D77, 1282-1291. 
20 years of crystal hits: progress and promise in ultrahigh-throughput crystallization screening. M. L. Lynch, M. E. Snell, S. A. Potter, E. H. Snell & S. E. J. Bowman (2023). Acta Cryst. D79, 198-205. 
Implications of AlphaFold2 for crystallographic phasing by molecular replacement. A. J. McCoy, M. D. Sammito & R. J. Read (2022). Acta Cryst. D78, 1-13. 
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CRYSTALLOGRAPHIC
COMMUNICATIONS
Pitfalls of a structure determination: The structure of closo-9-[4-(di­benzyl­amino)­phen­yl]-1,2-dicarb­a­dodeca­borane(12). M. Milewski, A.-M. Caminade, E. Hey-Hawkins & P. Lönnecke (2022). Acta Cryst. E78, 1145-1150. 
A periodic-like table of space groups. B. Kahr (2023). Acta Cryst. E79, 124-128. 
Synthesis, spectroscopic and crystal structure studies of N-{3-cyano-1-[2,6-di­chloro-4-(tri­fluoro­meth­yl)phen­yl]-4-(ethyl­sulfan­yl)-1H-pyrazol-5-yl}-2,2,2-tri­fluoro­acetamide. P. Priyanka, B. K. Jayanna, Y. C. Sunil Kumar, M. T. Shreenivas, G. R. Srinivasa, T. R. Divakara, H. S. Yathirajan & S. Parkin (2022). Acta Cryst. E78, 1084-1088. 
Foreword to the special virtual issue in tribute to Jerry P. Jasinski. D. R. Manke, M. Zeller & R. J. Butcher (2022). Acta Cryst. E78, 1143-1144. 
Space groups and crystallographic symmetry: writing a multi-featured tutorial in a new style. B. M. Foxman (2021). Acta Cryst. E77, 857-863. 
The methanol and ethanol solvates of 4-glutarato-N,N-diiso­propyl­tryptamine. M. Naeem, B. E. Bauer, A. R. Chadeayne, J. A. Golen & D. R. Manke (2022). Acta Cryst. E78, 1034-1038. 
Synthesis, crystal structures, and Hirshfeld analysis of three hexa­hydro­quinoline derivatives. S. A. Steiger, C. Li, A. G. Oliver & N. R. Natale (2022). Acta Cryst. E78, 1089-1096. 
Crystal structure of serotonin. M. Naeem, A. R. Chadeayne, J. A. Golen & D. R. Manke (2022). Acta Cryst. E78, 365-368. 
Teaching space-group diagrams to chemistry students through a peer-tutoring approach. S.-L. Zheng & M. G. Campbell (2021). Acta Cryst. E77, 864-866. 
Synthesis and crystal structure of 2-chloro-1-(3-hy­droxy­phen­yl)ethanone. P. Priyanka, B. K. Jayanna, Vinaya, H. J. Shankara Prasad, T. R. Divakara, H. S. Yathirajan & S. Parkin (2022). Acta Cryst. E78, 1127-1130. 
Synthesis, crystal structure and properties of catena-poly[[[bis­(3-methyl­pyridine-κN)nickel(II)]-di-μ-1,3-thio­cyanato] aceto­nitrile monosolvate]. C. Näther, I. Jess & C. Krebs (2022). Acta Cryst. E78, 1097-1102. 
Synthesis, crystal structure and Hirshfeld surface analysis of aqua­(3-meth­oxy­cinnamato-κO)bis­(1,10-phenanthroline-κ2N,N′)cobalt(II) nitrate. A. Lehleh, M. Boutebdja, C. Beghidja & A. Beghidja (2022). Acta Cryst. E78, 1113-1117. 
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. 
Crystal structure of 4,5-dimethyl-1,3-dioxol-2-one. C. P. Chandrasekaran & J. P. Donahue (2022). Acta Cryst. E78, 1103-1106. 
Crystal structure of the cubic double-perovskite Sr2Cr0.84Ni0.09Os1.07O6. J. Chen, Y. Tsujimoto, A. A. Belik, K. Yamaura & Y. Matsushita (2022). Acta Cryst. E78, 1135-1137. 
Crystal structure of bis­{3-(3,4-di­methyl­phen­yl)-5-[6-(1H-pyrazol-1-yl)pyridin-2-yl]-4H-1,2,4-triazol-4-ido}iron(II) methanol disolvate. K. Znovjyak, I. O. Fritsky, T. Y. Sliva, V. M. Amirkhanov, S. O. Malinkin, S. Shova & M. Seredyuk (2022). Acta Cryst. E78, 1107-1112. 
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STRUCTURAL BIOLOGY
COMMUNICATIONS
The structure of a tautomerase superfamily member linked to the type VI secretion system of Acinetobacter baumannii. G. Pankov, G. Mol Avelar, G. Buchanan, S. J. Coulthurst & W. N. Hunter (2023). Acta Cryst. F79, 8-16. 
Relating protein crystal structure to ligand-binding thermodynamics. J. R. Helliwell (2022). Acta Cryst. F78, 403-407. 
Structure of the Monkeypox virus profilin-like protein A42R reveals potential functional differences from cellular profilins. G. Minasov, N. L. Inniss, L. Shuvalova, W. F. Anderson & K. J. F. Satchell (2022). Acta Cryst. F78, 371-377. 
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. 
Room-temperature serial synchrotron crystallography of the human phosphatase PTP1B. S. Sharma, A. Ebrahim & D. A. Keedy (2023). Acta Cryst. F79, 23-30. 
Joint X-ray/neutron structure of Lentinus similis AA9_A at room temperature. T. Tandrup, L. Lo Leggio & F. Meilleur (2023). Acta Cryst. F79, 1-7. 
Crystal structure of the Rho-associated coiled-coil kinase 2 inhibitor belumosudil bound to CK2α. P. Brear & M. Hyvönen (2022). Acta Cryst. F78, 348-353. 
Purification and structure of luminal domain C of human Niemann–Pick C1 protein. L. Odongo, K. K. Zadrozny, W. E. Diehl, J. Luban, J. M. White, B. K. Ganser-Pornillos, L. K. Tamm & O. Pornillos (2023). Acta Cryst. F79, 45-50. 
6-Phosphogluconate dehydrogenase and its crystal structures. S. Hanau & J. R. Helliwell (2022). Acta Cryst. F78, 96-112. 
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 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. 
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. 
The structure of His-tagged Geobacillus stearothermophilus purine nucleoside phosphorylase reveals a `spanner in the works'. F. M. Given, F. Moran, A. S. Johns, J. A. Titterington, T. M. Allison, D. L. Crittenden & J. M. Johnston (2022). Acta Cryst. F78, 416-422. 
Crystals of SctV from different species reveal variable symmetry for the cytosolic domain of the type III secretion system export gate. D. Gilzer, E. Baum, N. Lieske, J. L. Kowal & H. H. Niemann (2022). Acta Cryst. F78, 386-394. 
Structural and biophysical characterization of the Borna disease virus 1 phosphoprotein. J. D. Whitehead, J. M. Grimes & J. R. Keown (2023). Acta Cryst. F79, 51-60. 
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. 
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IUCrJ
Cryo-EM at ACA 2022. S. Subramaniam, A. Kotecha & J. H. Davis (2022). IUCrJ 9, 713-714. 
Rapid and efficient room-temperature serial synchrotron crystallography using the CFEL TapeDrive. K. A. Zielinski, A. Prester, H. Andaleeb, S. Bui, O. Yefanov, L. Catapano, A. Henkel, M. O. Wiedorn, O. Lorbeer, E. Crosas, J. Meyer, V. Mariani, M. Domaracky, T. A. White, H. Fleckenstein, I. Sarrou, N. Werner, C. Betzel, H. Rohde, M. Aepfelbacher, H. N. Chapman, M. Perbandt, R. A. Steiner & D. Oberthuer (2022). IUCrJ 9, 778-791. 
Accurate lattice parameters from 3D electron diffraction data. I. Optical distortions. P. Brázda, M. Klementová, Y. Krysiak & L. Palatinus (2022). IUCrJ 9, 735-755. 
Slow protein dynamics probed by time-resolved oscillation crystallography at room temperature. S. Aumonier, S. Engilberge, N. Caramello, D. von Stetten, G. Gotthard, G. A. Leonard, C. Mueller-Dieckmann & A. Royant (2022). IUCrJ 9, 756-767. 
CSD Communications of the Cambridge Structural Database. G. M. Ferrence, C. A. Tovee, S. J. W. Holgate, N. T. Johnson, M. P. Lightfoot, K. L. Nowakowska-Orzechowska & S. C. Ward (2023). IUCrJ 10, 6-15. 
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. 
Analysis of the conformational heterogeneity of the Rieske iron–sulfur protein in complex III2 by cryo-EM. J.-P. Wieferig & W. Kühlbrandt (2023). IUCrJ 10, 27-37. 
Bone mineral properties and 3D orientation of human lamellar bone around cement lines and the Haversian system. T. A. Grünewald, A. Johannes, N. K. Wittig, J. Palle, A. Rack, M. Burghammer & H. Birkedal (2023). IUCrJ 10, 189-198. 
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. 
Comparative structural analyses of the NHL domains from the human E3 ligase TRIM–NHL family. A. Chaikuad, R. Zhubi, C. Tredup & S. Knapp (2022). IUCrJ 9, 720-727. 
Towards pump–probe single-crystal XFEL refinements for small-unit-cell systems. L. J. Støckler, L. Krause, B. Svane, K. Tolborg, B. Richter, S. Takahashi, T. Fujita, H. Kasai, M. Sugahara, I. Inoue, E. Nishibori & B. B. Iversen (2023). IUCrJ 10, 103-117. 
findMySequence: a neural-network-based approach for identification of unknown proteins in X-ray crystallography and cryo-EM. G. Chojnowski, A. J. Simpkin, D. A. Leonardo, W. Seifert-Davila, D. E. Vivas-Ruiz, R. M. Keegan & D. J. Rigden (2022). IUCrJ 9, 86-97. 
MicroED: conception, practice and future opportunities. M. T. B. Clabbers, A. Shiriaeva & T. Gonen (2022). IUCrJ 9, 169-179. 
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. 
High-resolution single-particle cryo-EM of samples vitrified in boiling nitro­gen. T. Engstrom, J. A. Clinger, K. A. Spoth, O. B. Clarke, D. S. Closs, R. Jayne, B. A. Apker & R. E. Thorne (2021). IUCrJ 8, 867-877. 
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. 
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JOURNAL OF
APPLIED
CRYSTALLOGRAPHY
Data reduction for X-ray serial crystallography using machine learning. V. Rahmani, S. Nawaz, D. Pennicard, S. P. R. Setty & H. Graafsma (2023). J. Appl. Cryst. 56, 200-213. 
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. 
A comparison of deep-learning-based inpainting techniques for experimental X-ray scattering. T. Chavez, E. J. Roberts, P. H. Zwart & A. Hexemer (2022). J. Appl. Cryst. 55, 1277-1288. 
Updates in SASfit for fitting analytical expressions and numerical models to small-angle scattering patterns. J. Kohlbrecher & I. Breßler (2022). J. Appl. Cryst. 55, 1677-1688. 
Specimen-displacement correction for powder X-ray diffraction in Debye–Scherrer geometry with a flat area detector. B. S. Hulbert & W. M. Kriven (2023). J. Appl. Cryst. 56, 160-166. 
Domain Auto Finder (DAFi) program: the analysis of single-crystal X-ray diffraction data from polycrystalline samples. A. Aslandukov, M. Aslandukov, N. Dubrovinskaia & L. Dubrovinsky (2022). J. Appl. Cryst. 55, 1383-1391. 
Small-angle scattering for beginners. C. J. Gommes, S. Jaksch & H. Frielinghaus (2021). J. Appl. Cryst. 54, 1832-1843. 
Spatz: the time-of-flight neutron reflectometer with vertical sample geometry at the OPAL research reactor. A. P. Le Brun, T.-Y. Huang, S. Pullen, A. R. J. Nelson, J. Spedding & S. A. Holt (2023). J. Appl. Cryst. 56, 18-25. 
Small-angle X-ray microdiffraction from fibrils embedded in tissue thin sections. P. Nepal, A. Al Bashit, L. Yang & L. Makowski (2022). J. Appl. Cryst. 55, 1562-1571. 
Site dependence of the magnetocaloric effect in Mn5−xFexSi3. M. Ait Haddouch, N. Abboushi, N. Sharma, A. Eich, A. Grzechnik, C. Li, M. Tolkiehn, H. Alsamamra, J. Voigt & K. Friese (2022). J. Appl. Cryst. 55, 1164-1172. 
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. 
The four Rs and crystal structure analysis: reliability, reproducibility, replicability and reusability. J. R. Helliwell & C. Massera (2022). J. Appl. Cryst. 55, 1351-1358. 
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. 
Parent grain reconstruction from partially or fully transformed microstructures in MTEX. F. Niessen, T. Nyyssönen, A. A. Gazder & R. Hielscher (2022). J. Appl. Cryst. 55, 180-194. 
A reverse Monte Carlo algorithm to simulate two-dimensional small-angle scattering intensities. L. C. Barnsley, N. Nandakumaran, A. Feoktystov, M. Dulle, L. Fruhner & M. Feygenson (2022). J. Appl. Cryst. 55, 1592-1602. 
From geology to biology: an interdisciplinary course in crystal growth. S. G. Arkhipov, T. B. Bekker, A. A. Gaydamaka, A. Y. Likhacheva, E. A. Losev & E. V. Boldyreva (2022). J. Appl. Cryst. 55, 1368-1376. 
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JOURNAL OF
SYNCHROTRON
RADIATION
Hard X-ray full-field nanoimaging using a direct photon-counting detector. S. Flenner, J. Hagemann, F. Wittwer, E. Longo, A. Kubec, A. Rothkirch, C. David, M. Müller & I. Greving (2023). J. Synchrotron Rad. 30, 390-399. 
Megahertz-rate ultrafast X-ray scattering and holographic imaging at the European XFEL. N. Zhou Hagström, M. Schneider, N. Kerber, A. Yaroslavtsev, E. Burgos Parra, M. Beg, M. Lang, C. M. Günther, B. Seng, F. Kammerbauer, H. Popescu, M. Pancaldi, K. Neeraj, D. Polley, R. Jangid, S. B. Hrkac, S. K. K. Patel, S. Ovcharenko, D. Turenne, D. Ksenzov, C. Boeglin, M. Baidakova, C. von Korff Schmising, M. Borchert, B. Vodungbo, K. Chen, C. Luo, F. Radu, L. Müller, M. Martínez Flórez, A. Philippi-Kobs, M. Riepp, W. Roseker, G. Grübel, R. Carley, J. Schlappa, B. E. Van Kuiken, R. Gort, L. Mercadier, N. Agarwal, L. Le Guyader, G. Mercurio, M. Teichmann, J. T. Delitz, A. Reich, C. Broers, D. Hickin, C. Deiter, J. Moore, D. Rompotis, J. Wang, D. Kane, S. Venkatesan, J. Meier, F. Pallas, T. Jezynski, M. Lederer, D. Boukhelef, J. Szuba, K. Wrona, S. Hauf, J. Zhu, M. Bergemann, E. Kamil, T. Kluyver, R. Rosca, M. Spirzewski, M. Kuster, M. Turcato, D. Lomidze, A. Samartsev, J. Engelke, M. Porro, S. Maffessanti, K. Hansen, F. Erdinger, P. Fischer, C. Fiorini, A. Castoldi, M. Manghisoni, C. B. Wunderer, E. E. Fullerton, O. G. Shpyrko, C. Gutt, C. Sanchez-Hanke, H. A. Dürr, E. Iacocca, H. T. Nembach, M. W. Keller, J. M. Shaw, T. J. Silva, R. Kukreja, H. Fangohr, S. Eisebitt, M. Kläui, N. Jaouen, A. Scherz, S. Bonetti & E. Jal (2022). J. Synchrotron Rad. 29, 1454-1464. 
A new high temperature, high heating rate, low axial gradient capillary heater. K. P. Marshall, H. Emerich, C. J. McMonagle, C. A. Fuller, V. Dyadkin, D. Chernyshov & W. van Beek (2023). J. Synchrotron Rad. 30, 267-272. 
TomocuPy – efficient GPU-based tomographic reconstruction with asynchronous data processing. V. Nikitin (2023). J. Synchrotron Rad. 30, 179-191. 
Direct measurement of Stokes–Einstein diffusion of Cowpea mosaic virus with 19 µs-resolved XPCS. K. Switalski, J. Fan, L. Li, M. Chu, E. Sarnello, P. Jemian, T. Li, Q. Wang & Q. Zhang (2022). J. Synchrotron Rad. 29, 1429-1435. 
Chemical characterization of inks in skin reactions to tattoo. H. Colboc, D. Bazin, S. Reguer, I. T. Lucas, P. Moguelet, R. Amode, C. Jouanneau, A. Soria, F. Chasset, E. Amsler, C. Pecquet, S. Aractingi, L. Bellot-Gurlet, L. Deschamps, V. Descamps & N. Kluger (2022). J. Synchrotron Rad. 29, 1436-1445. 
Indirect X-ray detectors with single-photon sensitivity. K. Pauwels & P.-A. Douissard (2022). J. Synchrotron Rad. 29, 1394-1406. 
High-efficiency focusing and imaging by dielectric kinoform zone plate lenses with soft X-rays. X. Tong, Y. Chen, Z. Xu, Y. Li, Z. Xing, C. Mu, J. Zhao, X. Zhen, C. Mao & R. Tai (2023). J. Synchrotron Rad. 30, 319-326. 
In situ chamber for studying battery failure using high-speed synchrotron radiography. J. Pfaff, M. Fransson, L. Broche, M. Buckwell, D. P. Finegan, S. Moser, S. Schopferer, S. Nau, P. R. Shearing & A. Rack (2023). J. Synchrotron Rad. 30, 192-199. 
The PERCIVAL detector: first user experiments. J. Correa, M. Mehrjoo, R. Battistelli, F. Lehmkühler, A. Marras, C. B. Wunderer, T. Hirono, V. Felk, F. Krivan, S. Lange, I. Shevyakov, V. Vardanyan, M. Zimmer, M. Hoesch, K. Bagschik, N. Guerrini, B. Marsh, I. Sedgwick, G. Cautero, L. Stebel, D. Giuressi, R. H. Menk, A. Greer, T. Nicholls, W. Nichols, U. Pedersen, P. Shikhaliev, N. Tartoni, H. J. Hyun, S. H. Kim, S. Y. Park, K. S. Kim, F. Orsini, F. J. Iguaz, F. Büttner, B. Pfau, E. Plönjes, K. Kharitonov, M. Ruiz-Lopez, R. Pan, S. Gang, B. Keitel & H. Graafsma (2023). J. Synchrotron Rad. 30, 242-250. 
Data-driven modeling and control of an X-ray bimorph adaptive mirror. G. Gunjala, A. Wojdyla, K. A. Goldberg, Z. Qiao, X. Shi, L. Assoufid & L. Waller (2023). J. Synchrotron Rad. 30, 57-64. 
A fast and lightweight tool for partially coherent beamline simulations in fourth-generation storage rings based on coherent mode decomposition. M. Sanchez del Rio, R. Celestre, J. Reyes-Herrera, P. Brumund & M. Cammarata (2022). J. Synchrotron Rad. 29, 1354-1367. 
Time-resolved resonant soft X-ray scattering combined with MHz synchrotron X-ray and laser pulses at the Photon Factory. R. Fukaya, J. Adachi, H. Nakao, Y. Yamasaki, C. Tabata, S. Nozawa, K. Ichiyanagi, Y. Ishii, H. Kimura & S. Adachi (2022). J. Synchrotron Rad. 29, 1414-1419. 
Artifact identification in X-ray diffraction data using machine learning methods. H. Yanxon, J. Weng, H. Parraga, W. Xu, U. Ruett & N. Schwarz (2023). J. Synchrotron Rad. 30, 137-146. 
AMX – the highly automated macromolecular crystallography (17-ID-1) beamline at the NSLS-II. D. K. Schneider, A. S. Soares, E. O. Lazo, D. F. Kreitler, K. Qian, M. R. Fuchs, D. K. Bhogadi, S. Antonelli, S. S. Myers, B. S. Martins, J. M. Skinner, J. Aishima, H. J. Bernstein, T. Langdon, J. Lara, R. Petkus, M. Cowan, L. Flaks, T. Smith, G. Shea-McCarthy, M. Idir, L. Huang, O. Chubar, R. M. Sweet, L. E. Berman, S. McSweeney & J. Jakoncic (2022). J. Synchrotron Rad. 29, 1480-1494. 
Speckle contrast of interfering fluorescence X-rays. F. Trost, K. Ayyer, D. Oberthuer, O. Yefanov, S. Bajt, C. Caleman, A. Weimer, A. Feld, H. Weller, S. Boutet, J. Koglin, N. Timneanu, J. von Zanthier, R. Röhlsberger & H. N. Chapman (2023). J. Synchrotron Rad. 30, 11-23. 
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IUCrData
Crystal structure of the second extracellular domain of human tetraspanin CD9: twinning and diffuse scattering. V. Neviani, M. Lutz, W. Oosterheert, P. Gros & L. Kroon-Batenburg (2022). IUCrData 7, x220852. 
IUCrData launches Raw Data Letters. L. M. J. Kroon-Batenburg, J. R. Helliwell & J. R. Hester (2022). IUCrData 7, x220821. 
4,5-Diferrocenyl-1,2-di­thiole-3-thione. J. J. Sánchez-García, M. Flores-Alamo, A. Nuñez-Gordillo & E. I. Klimova (2022). IUCrData 7, x221011. 
(1S,3R)-N-{(3S,10S,12S,13R,17R)-12-Hy­droxy-17-[(R)-5-hy­droxy­pentan-2-yl]-10,13-di­methyl­hexa­deca­hydro-1H-cyclo­penta­[a]phenanthren-3-yl}adamantane-1-carboxamide 0.25-hydrate. C. Campos Fernandez, R. Procupez-Schtirbu, V. H. Soto-Tellini, J. C. Salazar & V. Jancik (2022). IUCrData 7, x220947. 
Bis(4-hy­droxy­phen­yl) 1,4-phenyl­enebiscarbamate. I. Martínez-de la Luz, D. López-Velázquez, S. Bernès & J. L. Varela Caselis (2022). IUCrData 7, x220919. 
3-(3-Nitro­phen­yl)-1-[4-(prop-2-yn­yloxy)phen­yl]prop-2-en-1-one. Vinaya, Y. B. Basavaraju, H. A. Nagma Banu, B. Kalluraya, H. S. Yathirajan, R. Balerao & R. J. Butcher (2022). IUCrData 7, x220957. 
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. 
Accurate intensity integration in the twinned γ-form of o-nitro­aniline. M. Lutz & L. Kroon-Batenburg (2022). IUCrData 7, x221059. 
2,2′-{(1E,1′E)-[Ethane-1,2-diylbis(aza­nylyl­idene)]bis­(methanylyl­idene)}bis­(4-iodo­phenol). L. A. Blackwelder, A. R. Kelley, G. J. Balaich & L. R. Jefferies (2022). IUCrData 7, x220895. 
Bis(acetyl­acetonato-κ2O,O′)(N,N,N′,N′-tetra­methyl­ethylenedi­amine-κ2N,N′)magnesium(II). J. H. Halz, C. Heiser & K. Merzweiler (2022). IUCrData 7, x221035. 
Morpholin-4-ium [5-cyano-6-(4-methyl­phen­yl)-4-(morpholin-4-yl)pyrimidin-2-yl](phenyl­sulfon­yl)amide. R. A. Mohamed-Ezzat, B. M. Kariuki & R. A. Azzam (2022). IUCrData 7, x221033. 
10-[(4-Nitro­phen­yl)ethyn­yl]-10H-pheno­thia­zine. T. Okuno & I. Doi (2022). IUCrData 7, x220942. 
Ethidium tetra­phenyl­borate aceto­nitrile disolvate. R. Shimazaki & M. Sadakiyo (2022). IUCrData 7, x220951. 
[(1,2,5,6-η)-Cyclo­octa-1,5-diene](4-isopropyl-1-methyl-1,2,4-triazol-5-yl­idene)(tri­cyclo­hexyl­phosphane-κP)iridium(I) tetra­fluorido­borate di­chloro­methane monosolvate. J. Rushlow, A. V. Astashkin, D. R. Albert & E. Rajaseelan (2022). IUCrData 7, x220685. 
3-Methyl-5-(4-methyl­phen­oxy)-1-phenyl-1H-pyrazole-4-carbaldehyde. S. D. Archana, H. A. Nagma Banu, B. Kalluraya, H. S. Yathirajan, R. Balerao & R. J. Butcher (2022). IUCrData 7, x220924. 
Diaceto­nitrile­(2,2′-bi­pyridine-κ2N,N′)palladium(II) bis­(tri­fluoro­methane­sulfonate). R. A. Adrian, M. C. Gutierrez & H. D. Arman (2022). IUCrData 7, x221151. 
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