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Upgrade of crystallography beamline BL19U1 at the Shanghai Synchrotron Radiation Facility J. Appl. Crystallogr. (IF 6.1) Pub Date : 2024-04-15 Xiao, Q., Wu, T., Bao, K., Tang, J., Zhang, Y., Zhang, W., Zhu, Z., Gu, Y., Zhou, S., Li, C., Lu, L., Jiang, L., Liu, Y., Qin, W.
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Applications of the Clifford torus to material textures J. Appl. Crystallogr. (IF 6.1) Pub Date : 2024-04-15 De Graef, M.
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Design and fabrication of 3D-printed in situ crystallization plates for probing microcrystals in an external electric field J. Appl. Crystallogr. (IF 6.1) Pub Date : 2024-04-15 Khakurel, K.P., Nemergut, M., Džupponová, V., Kropielnicki, K., Savko, M., Žoldák, G., Andreasson, J.
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Ray-tracing analytical absorption correction for X-ray crystallography based on tomographic reconstructions J. Appl. Crystallogr. (IF 6.1) Pub Date : 2024-04-15 Lu, Y., Duman, R., Beilsten-Edmands, J., Winter, G., Basham, M., Evans, G., Kamps, J.J.A.G., Orville, A.M., Kwong, H.-S., Beis, K., Armour, W., Wagner, A.
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A new experimental station for microbeam X-ray scattering at the SSRF BL10U1 beamline J. Appl. Crystallogr. (IF 6.1) Pub Date : 2024-03-29 Wenqiang Hua, Maohua Song, Keliang Liao, Ping Zhou, Xiuhong Li
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X-ray standing wave characterization of the strong metal–support interaction in Co/TiOx model catalysts J. Appl. Crystallogr. (IF 6.1) Pub Date : 2024-03-31 Tiwari, A., Monai, M., Matveevskii, K., Yakunin, S.N., Mandemaker, L.D.B., Tsvetanova, M., Goodwin, M.J., Ackermann, M.D., Meirer, F., Makhotkin, I.A.
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Neural network analysis of neutron and X-ray reflectivity data incorporating prior knowledge J. Appl. Crystallogr. (IF 6.1) Pub Date : 2024-03-31 Munteanu, V., Starostin, V., Greco, A., Pithan, L., Gerlach, A., Hinderhofer, A., Kowarik, S., Schreiber, F.
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SEB: a computational tool for symbolic derivation of the small-angle scattering from complex composite structures J. Appl. Crystallogr. (IF 6.1) Pub Date : 2024-03-31 Jarrett, T.W.J., Svaneborg, C.
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Laue microdiffraction on polycrystalline samples above 1500 K achieved with the QMAX-µLaue furnace J. Appl. Crystallogr. (IF 6.1) Pub Date : 2024-03-31 Purushottam Raj Purohit, R.R.P., Fowan, D., Arnaud, S., Blanc, N., Micha, J.-S., Guinebretière, R., Castelnau, O.
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iQual: a new computer program for qualitative phase analysis with efficient search–match capability J. Appl. Crystallogr. (IF 6.1) Pub Date : 2024-03-29 Binfeng Lv, Zhenjie Feng, Xiaowei Sun, Jian Cao, Yu Gao, Shihui Chang, Cheng Dong, Jincang Zhang
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A correction procedure for secondary scattering contributions from windows in small-angle X-ray scattering and ultra-small-angle X-ray scattering J. Appl. Crystallogr. (IF 6.1) Pub Date : 2024-03-29 Chèvremont, W., Narayanan, T.
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Measurements of the geometrical characteristics and refractive index of specimens made with X-ray interferometers J. Appl. Crystallogr. (IF 6.1) Pub Date : 2024-03-29 Vahram Mkrtchyan, Ashot Aivazyan, Sargis Petrosyan, Minas Balyan
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Robust image descriptor for machine learning based data reduction in serial crystallography J. Appl. Crystallogr. (IF 6.1) Pub Date : 2024-03-26 Rahmani, V., Nawaz, S., Pennicard, D., Graafsma, H.
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FLEXR GUI: a graphical user interface for multi-conformer modeling of proteins J. Appl. Crystallogr. (IF 6.1) Pub Date : 2024-03-27 Stachowski, T.R., Fischer, M.
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Simulation of neutron dark-field data for grating-based interferometers J. Appl. Crystallogr. (IF 6.1) Pub Date : 2024-03-26 Caitlyn M. Wolf, Youngju Kim, Paul Kienzle, Pushkar S. Sathe, M. Cyrus Daugherty, Peter Bajcsy, Daniel S. Hussey, Katie M. Weigandt
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From solution to structure: empowering inclusive cryo-EM with a pre-characterization pipeline for biological samples J. Appl. Crystallogr. (IF 6.1) Pub Date : 2024-03-26 Mueller-Dieckmann, C., Grinzato, A., Effantin, G., Fenel, D., Flot, D., Schoehn, G., Leonard, G., Kandiah, E.
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Study of the epitaxy between ϵ-Fe2O3, hematite and spinel in brown-glazed Chinese ceramics using electron diffraction mapping techniques J. Appl. Crystallogr. (IF 6.1) Pub Date : 2024-03-26 Clément Holé, Magali Brunet, Sébastien Joulié, Zhao Ren, Tian Wang, Gilles Wallez, Philippe Sciau
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Wetting of alginate aerogels, from mesoporous solids to hydrogels: a small-angle scattering analysis J. Appl. Crystallogr. (IF 6.1) Pub Date : 2024-03-21 Zoltán Balogh, József Kalmár, Cedric J. Gommes
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Observations of specimen morphology effects on near-zone-axis convergent-beam electron diffraction patterns J. Appl. Crystallogr. (IF 6.1) Pub Date : 2024-03-21 Tan, X., Bourgeois, L., Nakashima, P.N.H.
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Simulations of dislocation contrast in dark-field X-ray microscopy J. Appl. Crystallogr. (IF 6.1) Pub Date : 2024-03-21 Sina Borgi, Trygve Magnus Ræder, Mads Allerup Carlsen, Carsten Detlefs, Grethe Winther, Henning Friis Poulsen
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DLSIA: Deep Learning for Scientific Image Analysis J. Appl. Crystallogr. (IF 6.1) Pub Date : 2024-03-21 Roberts, E.J., Chavez, T., Hexemer, A., Zwart, P.H.
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The multi-slit very small angle neutron scattering instrument at the China Spallation Neutron Source J. Appl. Crystallogr. (IF 6.1) Pub Date : 2024-03-21 Zuo, T., Han, Z., Ma, C., Xiao, S., Lin, X., Li, Y., Wang, F., He, Y., He, Z., Zhang, J., Wang, G., Cheng, H.
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iRing: a program for two-dimensional powder diffraction image integration with automatic calibration J. Appl. Crystallogr. (IF 6.1) Pub Date : 2024-03-21 Xiaowei Sun, Zhenjie Feng, Binfeng Lv, Jian Cao, Shihui Chang, Cheng Dong
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A workflow for single-particle structure determination via iterative phasing of rotational invariants in fluctuation X-ray scattering J. Appl. Crystallogr. (IF 6.1) Pub Date : 2024-03-15 Berberich, T.B., Molodtsov, S.L., Kurta, R.P.
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Unlocking the surface chemistry of ionic minerals: a high-throughput pipeline for modeling realistic interfaces J. Appl. Crystallogr. (IF 6.1) Pub Date : 2024-03-15 Mates-Torres, E., Rimola, A.
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X-Ray Calc 3: improved software for simulation and inverse problem solving for X-ray reflectivity J. Appl. Crystallogr. (IF 6.1) Pub Date : 2024-03-15 Penkov, O.V., Li, M., Mikki, S., Devizenko, A., Kopylets, I.
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FlɛX: a computer vision program to evaluate strain in flexible crystals J. Appl. Crystallogr. (IF 6.1) Pub Date : 2024-03-15 Hsieh, B., Wu, L.-C., Grosjean, A.
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Millisecond X-ray reflectometry and neural network analysis: unveiling fast processes in spin coating J. Appl. Crystallogr. (IF 6.1) Pub Date : 2024-03-15 Schumi-Mareček, D., Bertram, F., Mikulík, P., Varshney, D., Novák, J., Kowarik, S.
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Polarized X-ray diffraction anomalous near-edge structure study on the orbital physics of thin WSe2 layers J. Appl. Crystallogr. (IF 6.1) Pub Date : 2024-03-15 Shih-Lun Chen, Tai-Sing Wu, Hung-Lung Huang, Sheng-Fu Chen, Yun-Liang Soo, Horng-Tay Jeng, Hsueh-Hsing Hung
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Convolutional neural network approach for the automated identification of in cellulo crystals J. Appl. Crystallogr. (IF 6.1) Pub Date : 2024-02-23 Kardoost, A., Schönherr, R., Deiter, C., Redecke, L., Lorenzen, K., Schulz, J., de Diego, I.
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X-ray diffraction from dislocation half-loops in epitaxial films J. Appl. Crystallogr. (IF 6.1) Pub Date : 2024-02-23 Kaganer, V.M.
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A high-temperature high-pressure small-angle neutron scattering cell for studying hydrothermal reactions in supercritical water J. Appl. Crystallogr. (IF 6.1) Pub Date : 2024-02-23 Jun Abe, Hiroshi Arima-Osonoi, Hiroki Iwase, Shin-ichi Takata, Kei-ichi Ohuchi, Satoshi Kasai, Tsukasa Miyazaki, Takeshi Morita, Mitsuhiro Shibayama
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Refinement of the uranium dispersion corrections from anomalous diffraction J. Appl. Crystallogr. (IF 6.1) Pub Date : 2024-02-23 Gregory Leinders, Ola Gjonnes Grendal, Ine Arts, René Bes, Igor Prozheev, Simon Orlat, Andrew Fitch, Kristina Kvashnina, Marc Verwerft
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Dynamical and kinematical X-ray diffraction in a bent crystal J. Appl. Crystallogr. (IF 6.1) Pub Date : 2024-02-23 Dmitry M. Malkov, Vasily Punegov
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PYXIS: an integrated software package for synchrotron micro/nanodiffraction data analysis J. Appl. Crystallogr. (IF 6.1) Pub Date : 2024-02-16 Jiawei Kou, Kai Chen
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Revisiting the hydrogenation behavior of NdGa and its hydride phases J. Appl. Crystallogr. (IF 6.1) Pub Date : 2024-02-16 Shtender, V., Cedervall, J., Ek, G., Zlotea, C., Andersson, M.S., Manuel, P., Sahlberg, M., Häussermann, U.
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Tripling of the scattering vector range of X-ray reflectivity on liquid surfaces using a double-crystal deflector J. Appl. Crystallogr. (IF 6.1) Pub Date : 2024-02-16 Konovalov, O., Rein, V., Saedi, M., Groot, I.M.N., Renaud, G., Jankowski, M.
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A note on the Hendrickson–Lattman phase probability distribution and its equivalence to the generalized von Mises distribution J. Appl. Crystallogr. (IF 6.1) Pub Date : 2024-02-16 Barnett, M.J., Kingston, R.L.
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Dehydroxylation and structural transition in α-GaOOH investigated by in situ X-ray diffraction J. Appl. Crystallogr. (IF 6.1) Pub Date : 2024-02-12 Ning Ding, Honglong Shi, Zeqian Zhang, Minting Luo, Zhenfei Hu
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INSIGHT: in situ heuristic tool for the efficient reduction of grazing-incidence X-ray scattering data J. Appl. Crystallogr. (IF 6.1) Pub Date : 2024-02-12 Reus, M.A., Reb, L.K., Kosbahn, D.P., Roth, S.V., Müller-Buschbaum, P.
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Visualizing the fibre texture of satin spar using laboratory 2D X-ray diffraction J. Appl. Crystallogr. (IF 6.1) Pub Date : 2024-02-12 Wang, X., Schrank, C., Jones, M.
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The Pixel Anomaly Detection Tool: a user-friendly GUI for classifying detector frames using machine-learning approaches J. Appl. Crystallogr. (IF 6.1) Pub Date : 2024-02-12 Ketawala, G., Reiter, C.M., Fromme, P., Botha, S.
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Crystal structure and elastic and phonon properties of realgar versus pressure J. Appl. Crystallogr. (IF 6.1) Pub Date : 2024-02-12 Gianfranco Ulian, Giovanni Valdrè
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POMFinder: identifying polyoxometallate cluster structures from pair distribution function data using explainable machine learning J. Appl. Crystallogr. (IF 6.1) Pub Date : 2024-02-01 Anker, A.S., Kjær, E.T.S., Juelsholt, M., Jensen, K.M.Ø.
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Operation model of a skew-symmetric split-crystal neutron interferometer J. Appl. Crystallogr. (IF 6.1) Pub Date : 2024-02-01 Sasso, C.P., Mana, G., Massa, E.
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Using XAS to monitor radiation damage in real time and post-analysis, and investigation of systematic errors of fluorescence XAS for Cu-bound amyloid-β J. Appl. Crystallogr. (IF 6.1) Pub Date : 2024-02-01 Ekanayake, R.S.K., Streltsov, V.A., Best, S.P., Chantler, C.T.
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Refinement of X-ray and electron diffraction crystal structures using analytical Fourier transforms of Slater-type atomic wavefunctions in Olex2 J. Appl. Crystallogr. (IF 6.1) Pub Date : 2024-02-01 Kleemiss, F., Peyerimhoff, N., Bodensteiner, M.
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A simple solution to the Rietveld refinement recipe problem J. Appl. Crystallogr. (IF 6.1) Pub Date : 2024-02-01 Toby, B.H.
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Crystals in the community and the classroom J. Appl. Crystallogr. (IF 6.1) Pub Date : 2024-02-01 Murray, C., Maynard-Casely, H.E., Harrington, R., McCready, S., Sneddon, D.J., Thomas, L., Warren, A.J.
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ProLEED Studio: software for modeling low-energy electron diffraction patterns J. Appl. Crystallogr. (IF 6.1) Pub Date : 2024-02-01 Procházka, P., Čechal, J.
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An electropneumatic cleaning device for piezo-actuator-driven picolitre-droplet dispensers J. Appl. Crystallogr. (IF 6.1) Pub Date : 2024-02-01 Berkes, A., Kleine-Doepke, S., Leimkohl, J.-P., Schikora, H., Mehrabi, P., Tellkamp, F., Schulz, E.C.
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Time-resolved AUSAXS at BL28XU at SPring-8 J. Appl. Crystallogr. (IF 6.1) Pub Date : 2024-02-01 Nakanishi, Y., Fujinami, S., Shibata, M., Miyazaki, T., Yamamoto, K., Takenaka, M.
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Fast nanoscale imaging of strain in a multi-segment heterostructured nanowire with 2D Bragg ptychography J. Appl. Crystallogr. (IF 6.1) Pub Date : 2024-02-01 Hammarberg, S., Dzhigaev, D., Marcal, L.A.B., Dagyte, V., Björling, A., Borgström, M.T., Wallentin, J.
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Van Vleck analysis of angularly distorted octahedra using VanVleckCalculator J. Appl. Crystallogr. (IF 6.1) Pub Date : 2024-02-01 Nagle-Cocco, L.A.V., Dutton, S.E.
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A computational approach to predict and enhance the sensitivity of X-ray resonant magnetic reflectometry to the magnetic behavior of deeply buried interfaces J. Appl. Crystallogr. (IF 6.1) Pub Date : 2024-01-25 Polina Dvortsova, Sergey Suturin
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Unbiased particle conformation extraction from scattering spectra using orthonormal basis expansions J. Appl. Crystallogr. (IF 6.1) Pub Date : 2024-01-25 Guan-Rong Huang, Yangyang Wang, Yuya Shinohara, Lionel Porcar, Changwoo Do, William T. Heller, Wei-Ren Chen
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Non-destructive texture characterization by a robot-arm-driven X-ray diffractometer J. Appl. Crystallogr. (IF 6.1) Pub Date : 2024-01-19 Mate Sepsi, Marton Benke, Valeria Mertinger
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Bending the bonds: unveiling halogen interactions in the elastic polymorph of 2,5-bis(3-bromophenyl)furan J. Appl. Crystallogr. (IF 6.1) Pub Date : 2024-01-19 Konrad Dyk, Vasyl Kinzhybalo, Yuriy Horak, Serhii Butenko, Miłosz Siczek, Daniel M. Kamiński
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Shock-wave-induced variation in structural, optical and third-order nonlinear properties of an l-ascorbic acid single crystal J. Appl. Crystallogr. (IF 6.1) Pub Date : 2024-01-19 Vinod, Anuj Krishna, N. Vijayan, Sachin Yadav, Kiran, Kaphi, Saurabh K. Saini, Rimjhim Yadav, Urvashi Varshney, Subhashree Satapathy, Govind Gupta
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Introduction to the virtual collection of papers on Artificial neural networks: applications in X-ray photon science and crystallography J. Appl. Crystallogr. (IF 6.1) Pub Date : 2024-02-01 Ekeberg, T.