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Session Overview | |
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| 9:00am - 6:30pm | School - Electron: Electron Crystallography School Location: virtual Session Chair: Xiaodong Zou Session Chair: Louisa Meshi Session Chair: Lukáš Palatinus Website - virtual Videos I: Introduction -
Kolb: ADT -
Hovmöller: RED Videos II: Mugnaiolli: From precession... - Abrahams: Continuos rotation... - Yonekura: 3D ED ... Videos III: Hadermann: X-ray and electron... - Hovmoller: Symmetry... - Meshi: Unit cell ... Videos IV: Xu: Sample preparation... - Nannenga: Data collection... - Willhammar: cRed data collection ... Videos V: Gonen: MicroEd... - Sponsors |
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The development of 3D ED on studying structure and charge state of protein microcystals RIKEN / Tohoku University, Sayo, Japan Unit cell and space group determination from ED and CBED Ben Gurion University of the Negev, Beer Sheva, Israel External Resource: https://www.xray.cz/iucrv/vidp.asp?id=834
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| 9:00am - 6:30pm | Workshop - Data: When should small molecule crystallographers publish raw diffraction data? Location: virtual Session Chair: Amy Sarjeant Session Chair: Simon John Coles Website - virtual |
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| 9:00am - 4:00pm | Workshop CCDC/FIZ: CSD and ICSD workshop Location: virtual Session Chair: Suzanna Ward Session Chair: Annett Steudel |
| 9:00am - 6:30pm | School - Electron 2: Electron Crystallography School Location: virtual Session Chair: Xiaodong Zou Session Chair: Louisa Meshi Session Chair: Lukáš Palatinus Videos I: Waterman: ED data processing... -
Waterman: Dials... Videos II: Diederichs: XDS software... - Smeets: Serial rotation... Videos III: Sun: Phasing... - Palatinus: Kinematic and dynamic... - Puschmann: Olex2... Videos IV: Uson: Phasing...macromolecules - McCoy: Phase... - Keegan: CCP4... |
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ED Data Processing theory STFC, Didcot, United Kingdom Different methods for phasing diffraction data – macromolecules 1ICREA at IBMB-CSIC, Barcelona, Spain; 2University Göttingen, Germany; 3IBMB-CSIC; 4Department of Chemistry and Biochemistry; UCLA-DOE Institute for Genomics and Proteomics;(UCLA); Los Angeles, CA 90095, USA.; 5UCLA-DOE Institute for Genomics and Proteomics, Los Angeles, CA 90095, USA. |
| 9:00am - 6:30pm | SEC - Posters: Electron Crystallography School - Poster Location: virtual Session Chair: Xiaodong Zou Session Chair: Louisa Meshi Session Chair: Lukáš Palatinus |
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Quantitative analysis of diffuse electron scattering in the lithium-ion battery cathode material Li1.2Ni0.13Mn0.54Co0.13O2 1University of Antwerp, Department of Physics, Electron Microscopy for Materials Science (EMAT), Groenenborgerlaan 171, B-2020 Antwerp, Belgium; 2Friedrich-Alexander-Universität Erlangen-Nürnberg, Department of Physics, Institute of Condensed Matter Physics, Schloßplatz 4, 91054 Erlangen, Germany Theoretical electrostatic potential maps of macromolecules calculated with multipolar electron scattering factors Biological and Chemical Research Centre, Department of Chemistry, University of Warsaw, Warsaw, Poland Spinel ferrite nanoparticles in core shell architecture for heat release University of Cagliari, Cagliari, Italy Refinements on electron diffraction data of β-glycine in MoPro: A quest for improved structure model 1University of Warsaw, Warsaw, Poland; 2Université; de Lorraine, CNRS, CRM2, Nancy, France Crystal structure of Zeolite A solved by Precession Electron Diffraction Tomography 1ITQ-UPV, Valencia, Spain; 2NanoMEGAS SPRL, Rue Émile Claus 49 bte 9, 1050, Brussels, Belgium Investigating structure transformations of LaxSr2-xMnO4-δ using in situ 3D electron diffraction in a gas environment 1EMAT, University of Antwerp, Groenenborgerlaan 171, B-2020 Antwerp, Belgium Scipion-ed: a workflow-based and self-documenting program for 3DED data processing 1Department of Materials and Environmental Chemistry, Stockholm University, Stockholm; 2Department of Biochemistry and Biophysics, Science for Life Laboratory, Stockholm University, Stockholm Model dependence (IAM vs. TAAM) of B-factors - cases of X-ray and electron diffraction 1University of Warsaw, Warszawa, Poland; 2CNRS: Vandoeuvre les Nancy, France On the Quality of Three-Dimensional Electron Diffraction Data for Direct Location of Guest Molecules in Open-Framework Materials Department of Materials and Environmental Chemistry, Stockholm University, 10691 Stockholm, Sweden Utilizing Scipion-ED for 3DED data processing 1Stockholm Univeristy, Stockholm, Sweden; 2Department of Biochemistry and Biophysics, Science for Life Laboratory, Stockholm University Structural basis of higher-order assembly formation in Toll-like receptor 1,2 and 6 signaling pathway The University of Queensland, St Lucia, Australia Prospects for improved quantitative electron diffraction. University of Warwick, Coventry, United Kingdom Analysis of electrostatic interaction energies in complexes of IFIT5 proteins with RNA via UBDB+EPMM method Department of Chemistry, University of Warsaw, Warsaw, Poland Polymorphism within molecular systems revelaed by 3D electron diffraction. The University of Edinburgh, Edinburgh, United Kingdom Unraveling unforeseen disorders in silicates with 3D electron diffraction Stockholm University, Stockholm, Sweden External Resource: https://www.xray.cz/iucrp/P_698
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| 9:00am - 6:30pm | Workshop - Data2: When should small molecule crystallographers publish raw diffraction data? Location: virtual Session Chair: Amy Sarjeant Session Chair: Simon John Coles |
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| 8:30am - 4:30pm | Workshop - Olex: Olex2 workshop Location: virtual Session Chair: Horst Puschmann |
| 9:00am - 5:00pm | School - Electron 3: Electron Crystallography School Location: virtual Session Chair: Xiaodong Zou Session Chair: Louisa Meshi Session Chair: Lukáš Palatinus Videos I: Murshudov: Refinement of macromolecular... -
Yamashita: Coot... Videos III: Palatinus: PETS and Jana 2006... - Palatinus: Dynamic refinement... Videos IV: Afonine: Phenix... - Afonine: Phenix-sof demo... QA. |
| 9:00am - 5:00pm | Workshop - ICDD: ICDD workshop Location: virtual Session Chair: Thomas Nelson Blanton Session Chair: Jose Miguel Delgado Virtual workshop |
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| 9:00am - 1:00pm | Workshop - APEX: APEX4 Workshop (Bruker) Location: virtual Website - virtual |
| 9:00am - 3:00pm | Workshop - MX: MX Raw image data and metadata, formats and validation Location: virtual |
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| 5:10pm - 6:10pm | Workshop - High Score: Easy automation and more accurate analysis with High Score Plus (V4) Location: virtual Website - virtual |
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| 1:00pm - 2:30pm | ECA - SIG-3: ECA - SIG-3 Aperiodic Crystals Location: virtual |
| 2:00pm - 2:45pm | ECA - GIG-3: ECA - GIG-3 Education in Crystallography Location: virtual |
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| 1:00pm - 2:30pm | ECA - SIG-13: ECA - SIG-13 Molecular Structure and Chemical Properties Location: virtual |
| 1:00pm - 2:30pm | ECA - SIG-9: ECA - SIG-9 Crystallographic Computing Location: virtual |
| 1:45pm - 2:45pm | ECA - SIG-7: ECA - SIG-7 Molecular Interaction and Recognition Location: virtual |
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| 2:00pm - 6:00pm | Workshop - Resolution matters: Resolution Matters:- Discover the pathway from a high resolution 2D scan to the best phase analysis (Panalytical) Location: virtual Join us on 25th August 2pm with Alejandro Rodríguez Navarro Register Here: www.malvernpanalytical.com/IUCr2021
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| 2:00pm - 8:00pm | School - Computing: Crystallographic Computing School Location: virtual Session Chair: Martin Lutz Session Chair: Claudia Millán The Computing School will cover aspects that are relevant to all fields of crystallographic computing. As the main topic we will focus on the determination and the use of eigenvectors and eigenvalues and their applications in the different fields of crystallography. Applications range from the well known principal component analysis and other statistical and machine learning techniques to modelling using Markov processes, or optimization of functions. Fields such as image processing, information theory, and crystallography make use of these in many of its most fundamental methods. It impacts directly macromolecular crystallography in both phasing and refinement aspects. In small molecule crystallography and materials science research, it allows the understanding of very fundamental physical properties of matter. In this school, our aim is to learn and teach about this general topic from the computing aspect of the fundamentals, but also the computing tools and the data. |
| 2:00pm - 8:00pm | School - ePDF: School on electron PDF (pair-distribution function) Location: virtual Session Chair: Tatiana Gorelik virtual meeting |
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| 2:00pm - 8:00pm | School - Computing 2: Crystallographic Computing School Location: virtual Session Chair: Martin Lutz Session Chair: Claudia Millán The Computing School will cover aspects that are relevant to all fields of crystallographic computing. As the main topic we will focus on the determination and the use of eigenvectors and eigenvalues and their applications in the different fields of crystallography. Applications range from the well known principal component analysis and other statistical and machine learning techniques to modelling using Markov processes, or optimization of functions. Fields such as image processing, information theory, and crystallography make use of these in many of its most fundamental methods. It impacts directly macromolecular crystallography in both phasing and refinement aspects. In small molecule crystallography and materials science research, it allows the understanding of very fundamental physical properties of matter. In this school, our aim is to learn and teach about this general topic from the computing aspect of the fundamentals, but also the computing tools and the data. |
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| 2:00pm - 8:00pm | School - Computing 3: Crystallographic Computing School Location: virtual Session Chair: Martin Lutz Session Chair: Claudia Millán The Computing School will cover aspects that are relevant to all fields of crystallographic computing. As the main topic we will focus on the determination and the use of eigenvectors and eigenvalues and their applications in the different fields of crystallography. Applications range from the well known principal component analysis and other statistical and machine learning techniques to modelling using Markov processes, or optimization of functions. Fields such as image processing, information theory, and crystallography make use of these in many of its most fundamental methods. It impacts directly macromolecular crystallography in both phasing and refinement aspects. In small molecule crystallography and materials science research, it allows the understanding of very fundamental physical properties of matter. In this school, our aim is to learn and teach about this general topic from the computing aspect of the fundamentals, but also the computing tools and the data. |