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Polo: an open-source graphical user interface for crystallization screening J. Appl. Crystallogr. (IF 2.995) Pub Date : 2021-02-19 Holleman, E.T.; Duguid, E.; Keefe, L.J.; Bowman, S.E.J.
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The anisotropy in the optical constants of quartz crystals for soft X-rays J. Appl. Crystallogr. (IF 2.995) Pub Date : 2021-02-19 Andrle, A.; Hönicke, P.; Vinson, J.; Quintanilha, R.; Saadeh, Q.; Heidenreich, S.; Scholze, F.; Soltwisch, V.
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Upscaling X-ray nanoimaging to macroscopic specimens J. Appl. Crystallogr. (IF 2.995) Pub Date : 2021-02-19 Du, M.; Di, Z.; Gürsoy, D.; Xian, R.P.; Kozorovitskiy, Y.; Jacobsen, C.
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Principles of Neutron Scattering from Condensed Matter. By Andrew T. Boothroyd. Oxford University Press, 2020. Pp. 512. Price GBP 55.00. ISBN 9780198862314. J. Appl. Crystallogr. (IF 2.995) Pub Date : 2021-02-19 Thomas Proffen
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Generating the atomic pair distribution function without instrument or emission profile contributions J. Appl. Crystallogr. (IF 2.995) Pub Date : 2021-02-19 Alan A. Coelho; Philip A. Chater; Michael J. Evans
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Influence of surface relaxation on the contrast of threading edge dislocations in synchrotron X‐ray topographs under the condition of g · b = 0 and g · b × l = 0 J. Appl. Crystallogr. (IF 2.995) Pub Date : 2021-02-15 Hongyu Peng; Tuerxun Ailihumaer; Fumihiro Fujie; Zeyu Chen; Balaji Raghothamachar; Michael Dudley
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Bent Laue crystal anatomy: new insights into focusing and energy‐dispersion properties J. Appl. Crystallogr. (IF 2.995) Pub Date : 2021-02-14 Peng Qi; Xianbo Shi; Nazanin Samadi; Dean Chapman
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Finding the best‐fit background function for whole‐powder‐pattern fitting using LASSO combined with tree search J. Appl. Crystallogr. (IF 2.995) Pub Date : 2021-02-14 Hideo Toraya
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Validation of the Crystallography Open Database using the Crystallographic Information Framework J. Appl. Crystallogr. (IF 2.995) Pub Date : 2021-02-14 Vaitkus, A.; Merkys, A.; Gražulis, S.
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International Tables for Crystallography, Volume H, Powder Diffraction. First edition. Edited by Christopher J. Gilmore, James A. Kaduk and Henk Schenk. Wiley, 2019. Pp. xxxiii + 904. Price (hardcover) GBP 320.00. ISBN 978‐1‐118‐41628‐0. J. Appl. Crystallogr. (IF 2.995) Pub Date : 2021-02-14 Leopoldo Suescun
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`Pink'‐beam X‐ray powder diffraction profile and its use in Rietveld refinement J. Appl. Crystallogr. (IF 2.995) Pub Date : 2020-12-02 Robert B. Von Dreele; Samantha M. Clarke; James P. S. Walsh
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The XBI BioLab for life science experiments at the European XFEL J. Appl. Crystallogr. (IF 2.995) Pub Date : 2021-02-01 Han, H.; Round, E.; Schubert, R.; Gül, Y.; Makroczyová, J.; Meza, D.; Heuser, P.; Aepfelbacher, M.; Barák, I.; Betzel, C.; Fromme, P.; Kursula, I.; Nissen, P.; Tereschenko, E.; Schulz, J.; Uetrecht, C.; Ulicný, J.; Wilmanns, M.; Hajdu, J.; Lamzin, V.S.; Lorenzen, K.
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Concepts for nondestructive and depth-resolved X-ray residual stress analysis in the near-surface region of nearly single crystalline materials with mosaic structure J. Appl. Crystallogr. (IF 2.995) Pub Date : 2021-02-01 Hollmann, A.; Meixner, M.; Klaus, M.; Genzel, C.
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Nondestructive residual stress depth profile analysis at the inner surface of small boreholes using energy-dispersive diffraction under laboratory conditions J. Appl. Crystallogr. (IF 2.995) Pub Date : 2021-02-01 Genzel, C.; Meixner, M.; Apel, D.; Boin, M.; Klaus, M.
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In situ energy‐dispersive X‐ray diffraction of local phase dynamics during solvothermal growth of Cu4O3 J. Appl. Crystallogr. (IF 2.995) Pub Date : 2020-12-02 Zhelong Jiang; Jai Sharma; John S. Okasinski; Haiyan Chen; Daniel P. Shoemaker
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Nanoscale twinning in Fe–Mn–Al–Ni martensite: a backscatter Kikuchi diffraction study J. Appl. Crystallogr. (IF 2.995) Pub Date : 2021-02-01 Fischer, P.D.B.; Martin, S.; Walnsch, A.; Thümmler, M.; Kriegel, M.J.; Leineweber, A.
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Strain relaxation in InGaN/GaN epilayers by formation of V‐pit defects studied by SEM, XRD and numerical simulations J. Appl. Crystallogr. (IF 2.995) Pub Date : 2020-12-05 Jana Stránská Matějová; Lukáš Horák; Peter Minárik; Václav Holý; Ewa Grzanka; Jaroslaw Domagała; Michal Leszczyński
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Understanding near-surface polymer dynamics by a combination of grazing-incidence neutron scattering and virtual experiments J. Appl. Crystallogr. (IF 2.995) Pub Date : 2021-02-01 Kyrey, T.; Ganeva, M.; Witte, J.; von Klitzing, R.; Wellert, S.; Holderer, O.
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Energy-dispersive X-ray micro Laue diffraction on a bent gold nanowire J. Appl. Crystallogr. (IF 2.995) Pub Date : 2021-02-01 AlHassan, A.; Abboud, A.; Cornelius, T.W.; Ren, Z.; Thomas, O.; Richter, G.; Micha, J.-S.; Send, S.; Hartmann, R.; Strüder, L.; Pietsch, U.
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Strain depth profiles in thin films extracted from in‐plane X‐ray diffraction J. Appl. Crystallogr. (IF 2.995) Pub Date : 2020-12-17 Claudia Cancellieri; Daniel Ariosa; Aleksandr V. Druzhinin; Yeliz Unutulmazsoy; Antonia Neels; Lars P.H. Jeurgens
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Optimizing laboratory X-ray diffraction contrast tomography for grain structure characterization of pure iron J. Appl. Crystallogr. (IF 2.995) Pub Date : 2021-02-01 Lindkvist, A.; Fang, H.; Juul Jensen, D.; Zhang, Y.
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High‐pressure small‐angle X‐ray scattering cell for biological solutions and soft materials J. Appl. Crystallogr. (IF 2.995) Pub Date : 2020-12-16 Durgesh K. Rai; Richard E. Gillilan; Qingqiu Huang; Robert Miller; Edmund Ting; Alexander Lazarev; Mark W. Tate; Sol M. Gruner
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Constrained geometrical analysis of complete K‐line patterns for calibrationless auto‐indexing J. Appl. Crystallogr. (IF 2.995) Pub Date : 2020-12-23 Gábor Bortel; Miklós Tegze; Gyula Faigel
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µDrop: a system for high-throughput small-angle X-ray scattering measurements of microlitre samples J. Appl. Crystallogr. (IF 2.995) Pub Date : 2021-02-01 Haider, R.; Sartori, B.; Radeticchio, A.; Wolf, M.; Dal Zilio, S.; Marmiroli, B.; Amenitsch, H.
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Diffusion‐controlled and `diffusionless' crystal growth: relation between liquid dynamics and growth kinetics of griseofulvin J. Appl. Crystallogr. (IF 2.995) Pub Date : 2020-12-23 Fang Li; Junbo Xin; Qin Shi
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A multivariate grain size and orientation distribution function: derivation from electron backscatter diffraction data and applications J. Appl. Crystallogr. (IF 2.995) Pub Date : 2021-02-01 Galán López, J.; Kestens, L.A.I.
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Identification of grown‐in dislocations in protein crystals by digital X‐ray topography J. Appl. Crystallogr. (IF 2.995) Pub Date : 2021-01-16 Ryo Suzuki; Marina Abe; Kenichi Kojima; Masaru Tachibana
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Restoring structural parameters of lipid mixtures from small-angle X-ray scattering data J. Appl. Crystallogr. (IF 2.995) Pub Date : 2021-02-01 Konarev, P.V.; Gruzinov, A.Y.; Mertens, H.D.T.; Svergun, D.I.
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X‐ray diffraction by surface acoustic waves J. Appl. Crystallogr. (IF 2.995) Pub Date : 2021-01-16 Dmitry Roshchupkin; Luc Ortega; Olga Plotitcyna; Ivo Zizak; Simone Vadilonga; Dmitry Irzhak; Evgenii Emelin
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Simulations of foil-based spin-echo (modulated) small-angle neutron scattering with a sample using McStas J. Appl. Crystallogr. (IF 2.995) Pub Date : 2021-02-01 Bouwman, W.G.; Knudsen, E.B.; Udby, L.; Willendrup, P.
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Polymorphism and structure formation in copper phthalocyanine thin films J. Appl. Crystallogr. (IF 2.995) Pub Date : 2021-02-01 Reisz, B.; Belova, V.; Duva, G.; Zeiser, C.; Hodas, M.; Hagara, J.; Šiffalovič, P.; Pithan, L.; Hosokai, T.; Hinderhofer, A.; Gerlach, A.; Schreiber, F.
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One‐dimensional ledges and migration mechanism of incoherent interphase boundaries J. Appl. Crystallogr. (IF 2.995) Pub Date : 2021-01-22 Yunhao Huang; Jincheng Wang; Zhijun Wang; Junjie Li
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Determining paracrystallinity in mixed-tacticity polyhydroxybutyrates J. Appl. Crystallogr. (IF 2.995) Pub Date : 2021-02-01 Van Opdenbosch, D.; Haslböck, M.; Zollfrank, C.
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On the determination of residual stresses in additively manufactured lattice structures J. Appl. Crystallogr. (IF 2.995) Pub Date : 2021-02-01 Fritsch, T.; Sprengel, M.; Evans, A.; Farahbod-Sternahl, L.; Saliwan-Neumann, R.; Hofmann, M.; Bruno, G.
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Expanding the family of mineral‐like anhydrous alkali copper sulfate framework structures: new phases, topological analysis and evaluation of ion migration potentialities J. Appl. Crystallogr. (IF 2.995) Pub Date : 2021-01-27 Artem S. Borisov; Oleg I. Siidra; Vadim M. Kovrugin; Andrey A. Golov; Wulf Depmeier; Evgeny V. Nazarchuk; Astrid Holzheid
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On the structural formula of smectites: a review and new data on the influence of exchangeable cations J. Appl. Crystallogr. (IF 2.995) Pub Date : 2021-02-01 García-Romero, E.; Lorenzo, A.; García-Vicente, A.; Morales, J.; García-Rivas, J.; Suárez, M.
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A simulational study of the indirect-geometry neutron spectrometer BIFROST at the European Spallation Source, from neutron source position to detector position J. Appl. Crystallogr. (IF 2.995) Pub Date : 2021-02-01 Klausz, M.; Kanaki, K.; Kittelmann, T.; Toft-Petersen, R.; Birk, J.O.; Olsen, M.A.; Zagyvai, P.; Hall-Wilton, R.J.
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Evolution of dislocation microstructure in irradiated Zr alloys determined by X-ray peak profile analysis J. Appl. Crystallogr. (IF 2.995) Pub Date : 2021-02-01 Groma, I.; Szenthe, I.; Ódor, É.; Jóni, B.; Zilahi, G.; Dankházi, Z.; Ribárik, G.; Hózer, Z.
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Elastic stiffness coefficients of thiourea from thermal diffuse scattering J. Appl. Crystallogr. (IF 2.995) Pub Date : 2021-02-01 Büscher, J.; Mirone, A.; Stękiel, M.; Spahr, D.; Morgenroth, W.; Haussühl, E.; Milman, V.; Bosak, A.; Ivashko, O.; Zimmermann, M. von; Dippel, A.-C.; Winkler, B.
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A high‐flux automated laboratory small‐angle X‐ray scattering instrument optimized for solution scattering J. Appl. Crystallogr. (IF 2.995) Pub Date : 2021-01-29 Jeppe Lyngsø; Jan Skov Pedersen
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crystIT: complexity and configurational entropy of crystal structures via information theory J. Appl. Crystallogr. (IF 2.995) Pub Date : 2021-02-01 Kaussler, C.; Kieslich, G.
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Illustrated formalisms for total scattering data: a guide for new practitioners J. Appl. Crystallogr. (IF 2.995) Pub Date : 2021-02-01 Peterson, P.F.; Olds, D.; McDonnell, M.T.; Page, K.
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On ab initio indexing of Laue diffraction patterns J. Appl. Crystallogr. (IF 2.995) Pub Date : 2021-01-22 Adam Morawiec
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Extension of Hall symbols of crystallographic space groups to magnetic space groups J. Appl. Crystallogr. (IF 2.995) Pub Date : 2021-01-29 Javier González-Platas; Nebil A. Katcho; Juan Rodríguez-Carvajal
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ATSAS 3.0: expanded functionality and new tools for small-angle scattering data analysis J. Appl. Crystallogr. (IF 2.995) Pub Date : 2021-02-01 Manalastas-Cantos, K.; Konarev, P.V.; Hajizadeh, N.R.; Kikhney, A.G.; Petoukhov, M.V.; Molodenskiy, D.S.; Panjkovich, A.; Mertens, H.D.T.; Gruzinov, A.; Borges, C.; Jeffries, C.M.; Svergun, D.I.; Franke, D.
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PyCrystalField: software for calculation, analysis and fitting of crystal electric field Hamiltonians J. Appl. Crystallogr. (IF 2.995) Pub Date : 2021-01-16 A. Scheie
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Implementation of a self‐consistent slab model of bilayer structure in the SasView suite J. Appl. Crystallogr. (IF 2.995) Pub Date : 2021-01-22 Luoxi Tan; James G. Elkins; Brian H. Davison; Elizabeth G. Kelley; Jonathan Nickels
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Controlled sample environment for studying solid–gas interactions by in situ powder X-ray diffraction J. Appl. Crystallogr. (IF 2.995) Pub Date : 2021-02-01 Røren, P.M.; Hunvik, K.W.B.; Josvanger, V.; Buseth, O.T.; Fossum, J.O.
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Facilitated crystal handling using a simple device for evaporation reduction in microtiter plates J. Appl. Crystallogr. (IF 2.995) Pub Date : 2021-02-01 Barthel, T.; Huschmann, F.U.; Wallacher, D.; Feiler, C.G.; Klebe, G.; Weiss, M.S.; Wollenhaupt, J.
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Sir John Meurig Thomas (1932–2020) J. Appl. Crystallogr. (IF 2.995) Pub Date : 2020-12-02 Richard Catlow
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Screening cells for crystals: a synergistic approach J. Appl. Crystallogr. (IF 2.995) Pub Date : 2020-11-17 Bergfors, T.; Majumdar, S.
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Demonstration of electron diffraction from membrane protein crystals grown in a lipidic mesophase after lamella preparation by focused ion beam milling at cryogenic temperatures J. Appl. Crystallogr. (IF 2.995) Pub Date : 2020-10-13 Polovinkin, V.; Khakurel, K.; Babiak, M.; Angelov, B.; Schneider, B.; Dohnalek, J.; Andreasson, J.; Hajdu, J.
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One‐step synthesis of novel Cu2ZnNiO3 complex oxide nanowires with tuned band gap for photoelectrochemical water splitting J. Appl. Crystallogr. (IF 2.995) Pub Date : 2020-10-13 Aya Amin; Ali El-dissouky
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An operando spatially resolved study of alkaline battery discharge using a novel hyperspectral detector and X-ray tomography J. Appl. Crystallogr. (IF 2.995) Pub Date : 2020-10-13 Connolley, T.; Magdysyuk, O.V.; Michalik, S.; Allan, P.K.; Klaus, M.; Kamm, P.H.; Garcia-Moreno, F.; Nelson, J.A.; Veale, M.C.; Wilson, M.D.
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First ptychographic X-ray computed tomography experiment on the NanoMAX beamline J. Appl. Crystallogr. (IF 2.995) Pub Date : 2020-10-13 Kahnt, M.; Sala, S.; Johansson, U.; Björling, A.; Jiang, Z.; Kalbfleisch, S.; Lenrick, F.; Pikul, J.H.; Thånell, K.
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In situ high‐temperature X‐ray diffraction study of Sc‐doped titanium oxide nanocrystallites J. Appl. Crystallogr. (IF 2.995) Pub Date : 2020-10-13 Victor Y. Zenou; Federica Bertolotti; Antonietta Guagliardi; Brian H. Toby; Robert B. Von Dreele; Snejana Bakardjieva
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Application of precise neutron focusing mirrors for neutron reflectometry: latest results and future prospects J. Appl. Crystallogr. (IF 2.995) Pub Date : 2020-10-26 Yamada, N.L.; Hosobata, T.; Nemoto, F.; Hori, K.; Hino, M.; Izumi, J.; Suzuki, K.; Hirayama, M.; Kanno, R.; Yamagata, Y.
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Unravelling the crystal structure of Nd5.8WO12−δ and Nd5.7W0.75Mo0.25O12−δ mixed ionic electronic conductors J. Appl. Crystallogr. (IF 2.995) Pub Date : 2020-10-26 Scherb, T.; Fantin, A.; Checchia, S.; Stephan-Scherb, C.; Escolástico, S.; Franz, A.; Seeger, J.; Meulenberg, W.A.; d'Acapito, F.; Serra, J.M.
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Electric‐field‐intensity‐modulated scattering as a thin‐film depth probe J. Appl. Crystallogr. (IF 2.995) Pub Date : 2020-11-05 Peter J. Dudenas; Adam Z. Weber; Ahmet Kusoglu
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