Macromolecular structure determination using X‐rays, neutrons and electrons: recent developments in Phenix
Liebschner, Dorothee, Afonine, Pavel V., Baker, Matthew L., Bunkóczi, Gábor, Chen, Vincent B., Croll, Tristan I., Hintze, Bradley, Hung, Li-Wei, Jain, Swati, McCoy, Airlie J., Moriarty, Nigel W., Oeffner, Robert D., Poon, Billy K., Prisant, Michael G., Read, Randy J., Richardson, Jane S., Richardson, David C., Sammito, Massimo D., Sobolev, Oleg V., Stockwell, Duncan H., Terwilliger, Thomas C., Urzhumtsev, Alexandre G., Videau, Lizbeth L., Williams, Christopher J., Adams, Paul D.
Published in Acta crystallographica. Section D, Biological crystallography. (01.10.2019)
Published in Acta crystallographica. Section D, Biological crystallography. (01.10.2019)
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CrystalExplorer: a program for Hirshfeld surface analysis, visualization and quantitative analysis of molecular crystals
Spackman, Peter R., Turner, Michael J., McKinnon, Joshua J., Wolff, Stephen K., Grimwood, Daniel J., Jayatilaka, Dylan, Spackman, Mark A.
Published in Journal of applied crystallography (01.06.2021)
Published in Journal of applied crystallography (01.06.2021)
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DIALS: implementation and evaluation of a new integration package
Winter, Graeme, Waterman, David G., Parkhurst, James M., Brewster, Aaron S., Gildea, Richard J., Gerstel, Markus, Fuentes-Montero, Luis, Vollmar, Melanie, Michels-Clark, Tara, Young, Iris D., Sauter, Nicholas K., Evans, Gwyndaf
Published in Acta crystallographica. Section D, Biological crystallography. (01.02.2018)
Published in Acta crystallographica. Section D, Biological crystallography. (01.02.2018)
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Mercury 4.0: from visualization to analysis, design and prediction
Macrae, Clare F., Sovago, Ioana, Cottrell, Simon J., Galek, Peter T. A., McCabe, Patrick, Pidcock, Elna, Platings, Michael, Shields, Greg P., Stevens, Joanna S., Towler, Matthew, Wood, Peter A.
Published in Journal of applied crystallography (01.02.2020)
Published in Journal of applied crystallography (01.02.2020)
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The AUREX cell: a versatile operando electrochemical cell for studying catalytic materials using X-ray diffraction, total scattering and X-ray absorption spectroscopy under working conditions
Frank, Sara, Ceccato, Marcel, Jeppesen, Henrik S., Marks, Melissa J., Nielsen, Mads L. N., Lu, Ronghui, Gammelgaard, Jens Jakob, Quinson, Jonathan, Sharma, Ruchi, Jensen, Julie S., Hjelme, Sara, Friberg Klysner, Cecilie, Billinge, Simon J. L., Just, Justus, Gjørup, Frederik H., Catalano, Jacopo, Lock, Nina
Published in Journal of applied crystallography (01.10.2024)
Published in Journal of applied crystallography (01.10.2024)
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New tools for the analysis and validation of cryo‐EM maps and atomic models
Afonine, Pavel V., Klaholz, Bruno P., Moriarty, Nigel W., Poon, Billy K., Sobolev, Oleg V., Terwilliger, Thomas C., Adams, Paul D., Urzhumtsev, Alexandre
Published in Acta crystallographica. Section D, Biological crystallography. (01.09.2018)
Published in Acta crystallographica. Section D, Biological crystallography. (01.09.2018)
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Operando pair distribution function analysis of nanocrystalline functional materials: the case of TiO 2 -bronze nanocrystals in Li-ion battery electrodes
Karlsen, Martin A, Billet, Jonas, Tao, Songsheng, Van Driessche, Isabel, Billinge, Simon J L, Ravnsbæk, Dorthe B
Published in Journal of applied crystallography (01.08.2024)
Published in Journal of applied crystallography (01.08.2024)
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ATSAS 3.0: expanded functionality and new tools for small‐angle scattering data analysis
Manalastas-Cantos, Karen, Konarev, Petr V., Hajizadeh, Nelly R., Kikhney, Alexey G., Petoukhov, Maxim V., Molodenskiy, Dmitry S., Panjkovich, Alejandro, Mertens, Haydyn D. T., Gruzinov, Andrey, Borges, Clemente, Jeffries, Cy M., Svergun, Dmitri I., Franke, Daniel
Published in Journal of applied crystallography (01.02.2021)
Published in Journal of applied crystallography (01.02.2021)
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Polder maps: improving OMIT maps by excluding bulk solvent
Liebschner, Dorothee, Afonine, Pavel V., Moriarty, Nigel W., Poon, Billy K., Sobolev, Oleg V., Terwilliger, Thomas C., Adams, Paul D.
Published in Acta crystallographica. Section D, Biological crystallography. (01.02.2017)
Published in Acta crystallographica. Section D, Biological crystallography. (01.02.2017)
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SHELXT– Integrated space‐group and crystal‐structure determination
Sheldrick, George M.
Published in Acta crystallographica. Section A, Foundations and advances (01.01.2015)
Published in Acta crystallographica. Section A, Foundations and advances (01.01.2015)
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ATSAS 2.8: a comprehensive data analysis suite for small‐angle scattering from macromolecular solutions
Franke, D., Petoukhov, M. V., Konarev, P. V., Panjkovich, A., Tuukkanen, A., Mertens, H. D. T., Kikhney, A. G., Hajizadeh, N. R., Franklin, J. M., Jeffries, C. M., Svergun, D. I.
Published in Journal of applied crystallography (01.08.2017)
Published in Journal of applied crystallography (01.08.2017)
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Experimental setup for high-resolution characterization of crystal optics for coherent X-ray beam applications
Halavanau, Aliaksei, Margraf, Rachel, Robles, River, MacArthur, James, Qu, Zhengxian, Marcus, Gabriel, Wu, Juhao, Sato, Takahiro, Zhu, Diling, Takacs, Christopher J., Arthur, Ross, Kraynis, Olga, Johnson, Bart, Rabedeau, Thomas
Published in Journal of applied crystallography (01.02.2023)
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Published in Journal of applied crystallography (01.02.2023)
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Validation of the Crystallography Open Database using the Crystallographic Information Framework
Vaitkus, Antanas, Merkys, Andrius, Gražulis, Saulius
Published in Journal of applied crystallography (01.04.2021)
Published in Journal of applied crystallography (01.04.2021)
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