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Journal of Applied Crystallography
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Data reduction for serial crystallography using a robust peak finder J. Appl. Crystallogr. (IF 3.304) Pub Date : 2021-09-13 Hadian-Jazi, M., Sadri, A., Barty, A., Yefanov, O., Galchenkova, M., Oberthuer, D., Komadina, D., Brehm, W., Kirkwood, H., Mills, G., Wijn, R. de, Letrun, R., Kloos, M., Vakili, M., Gelisio, L., Darmanin, C., Mancuso, A.P., Chapman, H.N., Abbey, B.
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Symmetry-adapted pair distribution function analysis (SAPA): a novel approach to evaluating lattice dynamics and local distortions from total scattering data J. Appl. Crystallogr. (IF 3.304) Pub Date : 2021-09-13 Bird, T.A., Herlihy, A., Senn, M.S.
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Illustrated formalisms for total scattering data: a guide for new practitioners. Corrigendum and addendum J. Appl. Crystallogr. (IF 3.304) Pub Date : 2021-09-13 Peterson, P.F., Keen, D.A.
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Defocused travelling fringes in a scanning triple-Laue X-ray interferometry setup J. Appl. Crystallogr. (IF 3.304) Pub Date : 2021-09-13 Sasso, C.P., Mana, G., Massa, E.
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Small-angle neutron scattering from CuCrZr coupons and components J. Appl. Crystallogr. (IF 3.304) Pub Date : 2021-09-13 Schoofs, F., King, S., Cackett, A.J., Leyland, M., Hardie, C.
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New developments including X-ray standing waves in the dynamical Bragg diffraction program of X-ray Server J. Appl. Crystallogr. (IF 3.304) Pub Date : 2021-09-13 Sergey Stepanov
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Evolution of texture and internal stresses within polycrystalline rock salt using in situ 3D synchrotron computed tomography and 3D X-ray diffraction J. Appl. Crystallogr. (IF 3.304) Pub Date : 2021-09-13 Amirsalar Moslehy, Khalid A. Alshibli, Timothy J. Truster, Peter Kenesei, Wadi H. Imseeh, Zaher Jarrar, Hemant Sharma
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Grazing-incidence X-ray diffraction tomography for characterizing organic thin films J. Appl. Crystallogr. (IF 3.304) Pub Date : 2021-09-04 Tsai, E.H.R., Xia, Y., Fukuto, M., Loo, Y.-L., Li, R.
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An electric field cell for performing in situ single-crystal synchrotron X-ray diffraction J. Appl. Crystallogr. (IF 3.304) Pub Date : 2021-09-04 Saunders, L.K., Yeung, H.H.-M., Warren, M.R., Smith, P., Gurney, S., Dodsworth, S.F., Vitorica-Yrezabal, I.J., Wilcox, A., Hathaway, P.V., Preece, G., Roberts, P., Barnett, S.A., Allan, D.R.
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reciprocalspaceship: a Python library for crystallographic data analysis J. Appl. Crystallogr. (IF 3.304) Pub Date : 2021-09-04 Jack B. Greisman, Kevin M. Dalton, Doeke R. Hekstra
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Lateral deformations of a crystal of potassium acid phthalate in an external electric field J. Appl. Crystallogr. (IF 3.304) Pub Date : 2021-09-04 Arsen Petrenko, Nataliya Novikova, Alexander Blagov, Anton Kulikov, Yury Pisarevskii, Igor Verin, Michail Kovalchuk
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In situ growth of an ethyl p-hydroxybenzoate single crystal by the vertical Bridgman technique: a potential nonlinear optical material for third-harmonic generation J. Appl. Crystallogr. (IF 3.304) Pub Date : 2021-09-04 Debabrata Nayak, N. Vijayan, Manju Kumari, Kiran, Nikita Vashistha, Mahesh Kumar, R. P. Pant
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Texture of NiGe(Sn) on Ge(100) and its evolution with Sn content J. Appl. Crystallogr. (IF 3.304) Pub Date : 2021-08-18 Andrea Quintero, Patrice Gergaud, Tra Nguyen-Thanh, Jean-Michel Hartmann, Vincent Reboud, Eric Cassan, Philippe Rodriguez
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Bubble-induced fast crystal growth of indomethacin polymorphs in a supercooled liquid J. Appl. Crystallogr. (IF 3.304) Pub Date : 2021-08-18 Qin Shi, Fang Li, Jia Xu, Lingling Wu, Junbo Xin, Hao Chen, Bai Ling
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Estimation and fingerprinting of the size distribution of non-interacting spherical particles from small-angle scattering data J. Appl. Crystallogr. (IF 3.304) Pub Date : 2021-08-18 Debasis Sen, Ashwani Kumar, Avik Das, Jitendra Bahadur
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Experimental noise in small-angle scattering can be assessed using the Bayesian indirect Fourier transformation J. Appl. Crystallogr. (IF 3.304) Pub Date : 2021-08-18 Andreas Haahr Larsen, Martin Cramer Pedersen
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Real-space modeling for complex structures based on small-angle X-ray scattering J. Appl. Crystallogr. (IF 3.304) Pub Date : 2021-08-18 Omote, K., Iwata, T.
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Growing a thriving international community for small-angle scattering through collaboration J. Appl. Crystallogr. (IF 3.304) Pub Date : 2021-07-29 Trewhella, J.
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A capillary-based microfluidic device enables primary high-throughput room-temperature crystallographic screening J. Appl. Crystallogr. (IF 3.304) Pub Date : 2021-06-14 Sui, S., Mulichak, A., Kulathila, R., McGee, J., Filiatreault, D., Saha, S., Cohen, A., Song, J., Hung, H., Selway, J., Kirby, C., Shrestha, O.K., Weihofen, W., Fodor, M., Xu, M., Chopra, R., Perry, S.L.
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Simulating and benchmarking neutron total scattering instrumentation from inception of events to reduced and fitted data J. Appl. Crystallogr. (IF 3.304) Pub Date : 2021-06-14 Peter C. Metz, Thomas Huegle, Daniel Olds, Katharine Page
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Intragranular strain estimation in far-field scanning X-ray diffraction using a Gaussian process J. Appl. Crystallogr. (IF 3.304) Pub Date : 2021-06-14 Henningsson, A., Hendriks, J.
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X-ray rocking curve imaging on large arrays of extremely tall SiGe microcrystals epitaxial on Si J. Appl. Crystallogr. (IF 3.304) Pub Date : 2021-06-14 Mojmír Meduňa, Ondřej Caha, Emanuil Choumas, Franco Bressan, Hans von Känel
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Stable sample delivery in a viscous medium via a polyimide-based single-channel microfluidic chip for serial crystallography J. Appl. Crystallogr. (IF 3.304) Pub Date : 2021-07-07 Ki Hyun Nam, Yunje Cho
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Combining a multi-analyzer stage with a two-dimensional detector for high-resolution powder X-ray diffraction: correcting the angular scale J. Appl. Crystallogr. (IF 3.304) Pub Date : 2021-07-07 Fitch, A., Dejoie, C.
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Determining the maximum information gain and optimizing experimental design in neutron reflectometry using the Fisher information J. Appl. Crystallogr. (IF 3.304) Pub Date : 2021-07-07 Durant, J.H., Wilkins, L., Butler, K., Cooper, J.F.K.
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Morphology control of laser-induced dandelion-like crystals of sodium acetate through the addition of acidic polymers J. Appl. Crystallogr. (IF 3.304) Pub Date : 2021-07-07 Yao Liu, Huilin He, Yanjun Liu
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Formation and characterization of an Al-rich metastable phase in the Al–B phase diagram J. Appl. Crystallogr. (IF 3.304) Pub Date : 2021-07-16 Alexander I. Malkin, Vladimir V. Chernyshev, Alena A. Ryazantseva, Alexander L. Vasiliev, Maximilian S. Nickolsky, Andrei A. Shiryaev
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Characterization of the CaCO3 calcination process by the Porod invariant behaviour J. Appl. Crystallogr. (IF 3.304) Pub Date : 2021-07-16 Salvino Ciccariello
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Quantitative powder diffraction using a (2 + 3) surface diffractometer and an area detector J. Appl. Crystallogr. (IF 3.304) Pub Date : 2021-07-16 Abbondanza, G., Larsson, A., Carlá, F., Lundgren, E., Harlow, G.S.
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In-plane crystalline anisotropy of bulk β-Ga2O3 J. Appl. Crystallogr. (IF 3.304) Pub Date : 2021-07-29 Xiaocui Ma, Rui Xu, Jianfang Xu, Leiying Ying, Yang Mei, Hao Long, Baoping Zhang
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Quantitative phase analysis of Bi2Sr2CaCu2O8+x and competing intergrowth and co-crystallizing phases via a Rietveld refinement study J. Appl. Crystallogr. (IF 3.304) Pub Date : 2021-07-29 Neeraj K. Rajak, Arya Mohan, Deepshikha Jaiswal-Nagar
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Spatial correlation of embedded nanowires probed by X-ray off-Bragg scattering of the host matrix J. Appl. Crystallogr. (IF 3.304) Pub Date : 2021-07-29 Thomas Tran, Xiaorong Weng, Marcel Hennes, Dominique Demaille, Alessandro Coati, Alina Vlad, Yves Garreau, Michèle Sauvage-Simkin, Maurizio Sacchi, Franck Vidal, Yunlin Zheng
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GPU-accelerated multitiered iterative phasing algorithm for fluctuation X-ray scattering J. Appl. Crystallogr. (IF 3.304) Pub Date : 2021-07-30 Kommera, P.R., Ramakrishnaiah, V., Sweeney, C., Donatelli, J., Zwart, P.H.
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Operando structural investigations of thermoelectric materials J. Appl. Crystallogr. (IF 3.304) Pub Date : 2021-07-30 Lasse Rabøl Jørgensen, Kasper Borup, Christian Moeslund Zeuthen, Martin Roelsgaard, Bo Brummerstedt Iversen
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Novel study on the electron density distribution projection maps calculated via the discrete cosine transform J. Appl. Crystallogr. (IF 3.304) Pub Date : 2021-07-30 Hideo Hiraguchi
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Long- and short-range order in the Ni52Co2Fe20Ga26 ferromagnetic Heusler alloy J. Appl. Crystallogr. (IF 3.304) Pub Date : 2021-07-30 Dan Macovei, Felicia Tolea
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Separation of the inelastic and elastic scattering in time-of-flight mode on the pinhole small-angle neutron scattering diffractometer KWS-2 J. Appl. Crystallogr. (IF 3.304) Pub Date : 2021-07-30 Balacescu, L., Brandl, G., Radulescu, A.
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Dislocation contrast on X-ray topographs under weak diffraction conditions J. Appl. Crystallogr. (IF 3.304) Pub Date : 2021-07-30 Hongyu Peng, Tuerxun Ailihumaer, Yafei Liu, Balaji Raghotharmachar, Xianrong Huang, Lahsen Assoufid, Michael Dudley
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Refinements on electron diffraction data of β-glycine in MoPro: a quest for an improved structure model J. Appl. Crystallogr. (IF 3.304) Pub Date : 2021-07-07 Kunal Kumar Jha, Barbara Gruza, Michał Leszek Chodkiewicz, Christian Jelsch, Paulina Maria Dominiak
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X-Light: an open-source software written in Python to determine the residual stress by X-ray diffraction J. Appl. Crystallogr. (IF 3.304) Pub Date : 2021-07-16 Tu-Quoc-Sang Pham, Guillaume Geandier, Nicolas Ratel-Ramond, Charles Mareau, Benoit Malard
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PyQCstrc.ico: a computing package for structural modelling of icosahedral quasicrystals J. Appl. Crystallogr. (IF 3.304) Pub Date : 2021-07-16 Yamada, T.
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GIDInd: an automated indexing software for grazing-incidence X-ray diffraction data J. Appl. Crystallogr. (IF 3.304) Pub Date : 2021-07-30 Kainz, M.P., Legenstein, L., Holzer, V., Hofer, S., Kaltenegger, M., Resel, R., Simbrunner, J.
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A simple gas introduction system for cryogenic powder X-ray diffraction J. Appl. Crystallogr. (IF 3.304) Pub Date : 2021-07-29 Robert Hodyss, Tuan H. Vu, Mathieu Choukroun, Morgan L. Cable
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N2–O2 icing in single-crystal in-house X-ray diffraction experiments using an open-flow helium cryostat J. Appl. Crystallogr. (IF 3.304) Pub Date : 2021-07-29 Boris A. Zakharov, Ronald Miletich, Nikita E. Bogdanov, Elena V. Boldyreva
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Physics of Electrons in Solids. By Jean-Claude Toledano. World Scientific, 2021. Pp. 320. Hardback price GBP 95.00. ISBN 978-1-78634-972-9. J. Appl. Crystallogr. (IF 3.304) Pub Date : 2021-06-14 Mike Glazer
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The Beauty of Chemistry: Art, Wonder, and Science. By Philip Ball. Photographs by Wenting Zhu and Yan Liang. MIT Press, 2021. Pp. 308. Hardback price USD 49.45. ISBN 978-0262044417. J. Appl. Crystallogr. (IF 3.304) Pub Date : 2021-06-14 John R. Helliwell
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A high-throughput assembly of beam-shaping channel-cut monochromators for laboratory high-resolution X-ray diffraction and small-angle X-ray scattering experiments J. Appl. Crystallogr. (IF 3.304) Pub Date : 2021-04-16 Peter Nadazdy, Jakub Hagara, Petr Mikulik, Zdenko Zaprazny, Dusan Korytar, Eva Majkova, Matej Jergel, Peter Siffalovic
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Quantifying the robustness of the neutron reflectometry technique for structural characterization of polymer brushes J. Appl. Crystallogr. (IF 3.304) Pub Date : 2021-04-16 Isaac J. Gresham, Timothy J. Murdoch, Edwin C. Johnson, Hayden Robertson, Grant B. Webber, Erica J. Wanless, Stuart W. Prescott, Andrew R. J. Nelson
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Time-of-flight modulated intensity small-angle neutron scattering measurement of the self-diffusion constant of water J. Appl. Crystallogr. (IF 3.304) Pub Date : 2021-04-27 Stephen J. Kuhn, Niels Geerits, Christian Franz, Jeroen Plomp, Robert M. Dalgliesh, Steven R. Parnell
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Detailed total scattering analysis of disorder in ZIF-8 J. Appl. Crystallogr. (IF 3.304) Pub Date : 2021-04-27 Peter C. Metz, Stephen C. Purdy, Matthew R. Ryder, Arvind Ganesan, Sankar Nair, Katharine Page
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Validation of non-negative matrix factorization for rapid assessment of large sets of atomic pair distribution function data J. Appl. Crystallogr. (IF 3.304) Pub Date : 2021-04-27 Chia-Hao Liu, Christopher J. Wright, Ran Gu, Sasaank Bandi, Allison Wustrow, Paul K. Todd, Daniel O'Nolan, Michelle L. Beauvais, James R. Neilson, Peter J. Chupas, Karena W. Chapman, Simon J. L. Billinge
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Structure determination of organic compounds by a fit to the pair distribution function from scratch without prior indexing J. Appl. Crystallogr. (IF 3.304) Pub Date : 2021-05-09 Schlesinger, C., Habermehl, S., Prill, D.
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A combined approach to characterize ligand-induced solid–solid phase transitions in biomacromolecular crystals J. Appl. Crystallogr. (IF 3.304) Pub Date : 2021-05-09 Saminathan Ramakrishnan, Jason R. Stagno, Valentin Magidson, William F. Heinz, Yun-Xing Wang
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On the use of the scattering amplitude in coherent X-ray Bragg diffraction imaging J. Appl. Crystallogr. (IF 3.304) Pub Date : 2021-05-09 Pierre Godard
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Characterizing dislocation loops in irradiated polycrystalline Zr alloys by X-ray line profile analysis of powder diffraction patterns with satellites J. Appl. Crystallogr. (IF 3.304) Pub Date : 2021-05-25 Ungár, T., Ribárik, G., Topping, M., Jones, R.M.A., Dan Xu, X., Hulse, R., Harte, A., Tichy, G., Race, C.P., Frankel, P., Preuss, M.
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Infrared furnace for in situ neutron single-crystal diffraction studies in controlled gas atmospheres at high temperatures J. Appl. Crystallogr. (IF 3.304) Pub Date : 2021-05-25 Fernando Magro, Monica Ceretti, Martin Meven, Werner Paulus
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ASAXS measurements on ferritin and apoferritin at the bioSAXS beamline P12 (PETRA III, DESY) J. Appl. Crystallogr. (IF 3.304) Pub Date : 2021-05-25 Wieland, D.C.F., Schroer, M.A., Gruzinov, A.Y., Blanchet, C.E., Jeffries, C.M., Svergun, D.I.
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Design and use of a sapphire single-crystal gas-pressure cell for in situ neutron powder diffraction J. Appl. Crystallogr. (IF 3.304) Pub Date : 2021-05-25 Finger, R., Kurtzemann, N., Hansen, T.C., Kohlmann, H.
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X-ray scattering profiles: revealing the porosity gradient in porous silicon J. Appl. Crystallogr. (IF 3.304) Pub Date : 2021-05-25 Cosmin Romanitan, Pericle Varasteanu, Daniela C. Culita, Alexandru Bujor, Oana Tutunaru
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Investigation of precision, accuracy and confidence of X-ray diffraction for determining crystallite size in nanopowders J. Appl. Crystallogr. (IF 3.304) Pub Date : 2021-05-28 Alexander P. Moore, Martin B. Nemer, Mark A. Rodriguez, Christine C. Roberts, Patrick F. Fleig, Hans W. Papenguth
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