Works matching IS 00218898 AND DT 2021 AND VI 54 AND IP 3

Results: 34

SHELIXIR: automation of experimental phasing procedures using SHELXC/D/E.
Published in:
Journal of Applied Crystallography, 2021, v. 54, n. 3, p. 996, doi. 10.1107/S1600576721002454
By:
- Kolenko, Petr;
- Stránský, Jan;
- Koval', Tomáš;
- Malý, Martin;
- Dohnálek, Jan
Publication type:
Article
Structure determination of organic compounds by a fit to the pair distribution function from scratch without prior indexing.
Published in:
Journal of Applied Crystallography, 2021, v. 54, n. 3, p. 776, doi. 10.1107/S1600576721002569
By:
- Schlesinger, Carina;
- Habermehl, Stefan;
- Prill, Dragica
Publication type:
Article
Grazing‐incidence X‐ray scattering of lamellar thin films. Erratum.
Published in:
Journal of Applied Crystallography, 2021, v. 54, n. 3, p. 1024, doi. 10.1107/S1600576721002971
By:
- Smilgies, Detlef-M.
Publication type:
Article
Multipurpose diffractometer for in situ X‐ray crystallography of functional materials.
Published in:
Journal of Applied Crystallography, 2021, v. 54, n. 3, p. 914, doi. 10.1107/S1600576721004088
By:
- Gorfman, Semën;
- Spirito, David;
- Cohen, Netanela;
- Siffalovic, Peter;
- Nadazdy, Peter;
- Li, Youli
Publication type:
Article
Combined specular and off‐specular reflectometry: elucidating the complex structure of soft buried interfaces.
Published in:
Journal of Applied Crystallography, 2021, v. 54, n. 3, p. 924, doi. 10.1107/S1600576721003575
By:
- Hafner, Aljoša;
- Gutfreund, Philipp;
- Toperverg, Boris P.;
- Jones, Andrew O. F.;
- de Silva, Johann P.;
- Wildes, Andrew;
- Fischer, Henry E.;
- Geoghegan, Mark;
- Sferrazza, Michele
Publication type:
Article
A high‐throughput assembly of beam‐shaping channel‐cut monochromators for laboratory high‐resolution X‐ray diffraction and small‐angle X‐ray scattering experiments.
Published in:
Journal of Applied Crystallography, 2021, v. 54, n. 3, p. 730, doi. 10.1107/S1600576721002338
By:
- Nadazdy, Peter;
- Hagara, Jakub;
- Mikulik, Petr;
- Zaprazny, Zdenko;
- Korytar, Dusan;
- Majkova, Eva;
- Jergel, Matej;
- Siffalovic, Peter
Publication type:
Article
X‐ray scattering profiles: revealing the porosity gradient in porous silicon.
Published in:
Journal of Applied Crystallography, 2021, v. 54, n. 3, p. 847, doi. 10.1107/S1600576721003484
By:
- Romanitan, Cosmin;
- Varasteanu, Pericle;
- Culita, Daniela C.;
- Bujor, Alexandru;
- Tutunaru, Oana
Publication type:
Article
A polarization‐switch effect of silicon crystals under multiple‐beam diffraction geometry.
Published in:
Journal of Applied Crystallography, 2021, v. 54, n. 3, p. 976, doi. 10.1107/S1600576721002582
By:
- Tang, Zheng;
- Zheng, Lirong;
- Chu, Shengqi;
- An, Pengfei;
- Huang, Xianrong;
- Hu, Tiandou;
- Assoufid, Lahsen
Publication type:
Article
Quantifying the robustness of the neutron reflectometry technique for structural characterization of polymer brushes.
Published in:
Journal of Applied Crystallography, 2021, v. 54, n. 3, p. 739, doi. 10.1107/S160057672100251X
By:
- Gresham, Isaac J.;
- Murdoch, Timothy J.;
- Johnson, Edwin C.;
- Robertson, Hayden;
- Webber, Grant B.;
- Wanless, Erica J.;
- Prescott, Stuart W.;
- Nelson, Andrew R. J.
Publication type:
Article
A novel method to obtain integral parameters of the orientation distribution function of textured polycrystals from wavelength‐resolved neutron transmission spectra.
Published in:
Journal of Applied Crystallography, 2021, v. 54, n. 3, p. 903, doi. 10.1107/S1600576721003861
By:
- Vicente Alvarez, Miguel Angel;
- Laliena, Victor;
- Malamud, Florencia;
- Campo, Javier;
- Santisteban, Javier
Publication type:
Article
The effect of data quality and model parameters on the quantitative phase analysis of X‐ray diffraction data by the Rietveld method.
Published in:
Journal of Applied Crystallography, 2021, v. 54, n. 3, p. 878, doi. 10.1107/S160057672100371X
By:
- Rowles, Matthew R.
Publication type:
Article
Detailed total scattering analysis of disorder in ZIF‐8.
Published in:
Journal of Applied Crystallography, 2021, v. 54, n. 3, p. 759, doi. 10.1107/S1600576721002843
By:
- Metz, Peter C.;
- Purdy, Stephen C.;
- Ryder, Matthew R.;
- Ganesan, Arvind;
- Nair, Sankar;
- Page, Katharine
Publication type:
Article
Alignment facility and software for single‐crystal time‐of‐flight neutron spectroscopy.
Published in:
Journal of Applied Crystallography, 2021, v. 54, n. 3, p. 957, doi. 10.1107/S1600576721004234
By:
- Liu, Zihao;
- Lane, Harry;
- Frost, Christopher D.;
- Ewings, Russell A.;
- Attfield, J. Paul;
- Stock, Chris
Publication type:
Article
Robust surface structure analysis with reliable uncertainty estimation using the exchange Monte Carlo method. Corrigendum.
Published in:
Journal of Applied Crystallography, 2021, v. 54, n. 3, p. 1023, doi. 10.1107/S1600576721004520
By:
- Nagai, Kazuki;
- Anada, Masato;
- Nakanishi-Ohno, Yoshinori;
- Okada, Masato;
- Wakabayashi, Yusuke
Publication type:
Article
A combined approach to characterize ligand‐induced solid–solid phase transitions in biomacromolecular crystals.
Published in:
Journal of Applied Crystallography, 2021, v. 54, n. 3, p. 787, doi. 10.1107/S1600576721003137
By:
- Ramakrishnan, Saminathan;
- Stagno, Jason R.;
- Magidson, Valentin;
- Heinz, William F.;
- Wang, Yun-Xing
Publication type:
Article
On the use of the scattering amplitude in coherent X‐ray Bragg diffraction imaging.
Published in:
Journal of Applied Crystallography, 2021, v. 54, n. 3, p. 797, doi. 10.1107/S1600576721003113
By:
- Godard, Pierre
Publication type:
Article
Incommensurately modulated structure zone in α‐Zr instigated by the drag force on a grain boundary.
Published in:
Journal of Applied Crystallography, 2021, v. 54, n. 3, p. 982, doi. 10.1107/S1600576721003605
By:
- Zhang, Yingdong;
- Li, Geping;
- Yuan, Fusen;
- Han, Fuzhou;
- Ali, Muhammad;
- Guo, Wenbin;
- Ren, Jie;
- Liu, Chengze;
- Gu, Hengfei;
- Yuan, Gaihuan
Publication type:
Article
CrystalExplorer: a program for Hirshfeld surface analysis, visualization and quantitative analysis of molecular crystals.
Published in:
Journal of Applied Crystallography, 2021, v. 54, n. 3, p. 1006, doi. 10.1107/S1600576721002910
By:
- Spackman, Peter R.;
- Turner, Michael J.;
- McKinnon, Joshua J.;
- Wolff, Stephen K.;
- Grimwood, Daniel J.;
- Jayatilaka, Dylan;
- Spackman, Mark A.
Publication type:
Article
Crystallographic analysis of the lattice metric (CALM) from single electron backscatter diffraction or transmission Kikuchi diffraction patterns.
Published in:
Journal of Applied Crystallography, 2021, v. 54, n. 3, p. 1012, doi. 10.1107/S1600576721004210
By:
- Nolze, Gert;
- Tokarski, Tomasz;
- Rychłowski, Łukasz;
- Cios, Grzegorz;
- Winkelmann, Aimo
Publication type:
Article
Quantitative texture analysis using the NOMAD time‐of‐flight neutron diffractometer.
Published in:
Journal of Applied Crystallography, 2021, v. 54, n. 3, p. 867, doi. 10.1107/S1600576721003022
By:
- Peterson, N. E.;
- Einhorn, J. R.;
- Fancher, C. M.;
- Bunn, J. R.;
- Payzant, E. A.;
- Agnew, S. R.
Publication type:
Article
Characterizing dislocation loops in irradiated polycrystalline Zr alloys by X‐ray line profile analysis of powder diffraction patterns with satellites.
Published in:
Journal of Applied Crystallography, 2021, v. 54, n. 3, p. 803, doi. 10.1107/S1600576721002673
By:
- Ungár, Tamás;
- Ribárik, Gábor;
- Topping, Matthew;
- Jones, Rebecca M. A.;
- Dan Xu, Xiao;
- Hulse, Rory;
- Harte, Allan;
- Tichy, Géza;
- Race, Christopher P.;
- Frankel, Philipp;
- Preuss, Michael
Publication type:
Article
Validation of non‐negative matrix factorization for rapid assessment of large sets of atomic pair distribution function data.
Published in:
Journal of Applied Crystallography, 2021, v. 54, n. 3, p. 768, doi. 10.1107/S160057672100265X
By:
- Liu, Chia-Hao;
- Wright, Christopher J.;
- Gu, Ran;
- Bandi, Sasaank;
- Wustrow, Allison;
- Todd, Paul K.;
- O'Nolan, Daniel;
- Beauvais, Michelle L.;
- Neilson, James R.;
- Chupas, Peter J.;
- Chapman, Karena W.;
- Billinge, Simon J. L.
Publication type:
Article
The advanced treatment of hydrogen bonding in quantum crystallography.
Published in:
Journal of Applied Crystallography, 2021, v. 54, n. 3, p. 718, doi. 10.1107/S1600576721001126
By:
- Malaspina, Lorraine A.;
- Genoni, Alessandro;
- Jayatilaka, Dylan;
- Turner, Michael J.;
- Sugimoto, Kunihisa;
- Nishibori, Eiji;
- Grabowsky, Simon
Publication type:
Article
Investigation of precision, accuracy and confidence of X‐ray diffraction for determining crystallite size in nanopowders.
Published in:
Journal of Applied Crystallography, 2021, v. 54, n. 3, p. 856, doi. 10.1107/S1600576721002922
By:
- Moore, Alexander P.;
- Nemer, Martin B.;
- Rodriguez, Mark A.;
- Roberts, Christine C.;
- Fleig, Patrick F.;
- Papenguth, Hans W.
Publication type:
Article
Infrared furnace for in situ neutron single‐crystal diffraction studies in controlled gas atmospheres at high temperatures.
Published in:
Journal of Applied Crystallography, 2021, v. 54, n. 3, p. 822, doi. 10.1107/S1600576721003198
By:
- Magro, Fernando;
- Ceretti, Monica;
- Meven, Martin;
- Paulus, Werner
Publication type:
Article
Time‐of‐flight modulated intensity small‐angle neutron scattering measurement of the self‐diffusion constant of water.
Published in:
Journal of Applied Crystallography, 2021, v. 54, n. 3, p. 751, doi. 10.1107/S1600576721002612
By:
- Kuhn, Stephen J.;
- Geerits, Niels;
- Franz, Christian;
- Plomp, Jeroen;
- Dalgliesh, Robert M.;
- Parnell, Steven R.
Publication type:
Article
lamaGOET: an interface for quantum crystallography.
Published in:
Journal of Applied Crystallography, 2021, v. 54, n. 3, p. 987, doi. 10.1107/S1600576721002545
By:
- Malaspina, Lorraine A.;
- Genoni, Alessandro;
- Grabowsky, Simon
Publication type:
Article
Design and use of a sapphire single‐crystal gas‐pressure cell for in situ neutron powder diffraction.
Published in:
Journal of Applied Crystallography, 2021, v. 54, n. 3, p. 839, doi. 10.1107/S1600576721002685
By:
- Finger, Raphael;
- Kurtzemann, Nadine;
- Hansen, Thomas C.;
- Kohlmann, Holger
Publication type:
Article
Aerosol‐based ligand soaking of reservoir‐free protein crystals.
Published in:
Journal of Applied Crystallography, 2021, v. 54, n. 3, p. 895, doi. 10.1107/S1600576721003551
By:
- Ross, Breyan;
- Krapp, Stephan;
- Geiss-Friedlander, Ruth;
- Littmann, Walter;
- Huber, Robert;
- Kiefersauer, Reiner
Publication type:
Article
ASAXS measurements on ferritin and apoferritin at the bioSAXS beamline P12 (PETRA III, DESY).
Published in:
Journal of Applied Crystallography, 2021, v. 54, n. 3, p. 830, doi. 10.1107/S1600576721003034
By:
- Wieland, D. C. F.;
- Schroer, M. A.;
- Gruzinov, A. Yu.;
- Blanchet, C. E.;
- Jeffries, C. M.;
- Svergun, D. I.
Publication type:
Article
Analyses of hierarchical structures in vulcanized SBR rubber by using contrast‐variation USANS and SANS.
Published in:
Journal of Applied Crystallography, 2021, v. 54, n. 3, p. 949, doi. 10.1107/S1600576721004222
By:
- Takenaka, Mikihito;
- Nishitsuji, Shotaro;
- Watanabe, Yuki;
- Yamaguchi, Daisuke;
- Koizumi, Satoshi
Publication type:
Article
Joseph Yariv (1927–2021).
Published in:
Journal of Applied Crystallography, 2021, v. 54, n. 3, p. 1025, doi. 10.1107/S1600576721004453
By:
- Helliwell, John R.;
- Yariv family
Publication type:
Article
Ekkehart Tillmanns (1941–2020).
Published in:
Journal of Applied Crystallography, 2021, v. 54, n. 3, p. 1027, doi. 10.1107/S1600576721004398
By:
- Paufler, Peter;
- Meyer, Dirk C.
Publication type:
Article
High‐throughput macromolecular polymorph screening via an NMR and X‐ray powder diffraction synergistic approach: the case of human insulin co‐crystallized with resorcinol derivatives.
Published in:
Journal of Applied Crystallography, 2021, v. 54, n. 3, p. 963, doi. 10.1107/S160057672100426X
By:
- Spiliopoulou, Maria;
- Valmas, Alexandros;
- Triandafillidis, Dimitris-Panagiotis;
- Fili, Stavroula;
- Christopoulou, Magdalini;
- Filopoulou, Aikaterini J.;
- Piskopou, Anastasia;
- Papadea, Polyxeni;
- Fitch, Andrew N.;
- Beckers, Detlef;
- Degen, Thomas;
- Gozzo, Fabia;
- Morin, Mickael;
- Reinle-Schmitt, Mathilde L.;
- Karavassili, Fotini;
- Rosmaraki, Eleftheria;
- Chasapis, Christos T.;
- Margiolaki, Irene
Publication type:
Article