Conference Agenda

Overview and details of the sessions of this conference. Please select a date or location to show only sessions at that day or location. Please select a single session for detailed view (with abstracts and downloads if available).

Please note that all times are shown in the time zone of the conference. The current conference time is: 31st Oct 2024, 11:48:16pm CET

 
 
Session Overview
Session
MS-82: Handling of big data in crystallography
Time:
Friday, 20/Aug/2021:
2:45pm - 5:10pm

Session Chair: Wladek Minor
Session Chair: Brinda Vallat
Location: 223-4

60 2nd floor

Introduction
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Presentations
2:45pm - 2:50pm
ID: 1813 / MS-82: 1
Introduction
Oral/poster

Introduction to session

Wladek Minor, Brinda Vallat



2:50pm - 3:20pm
ID: 1386 / MS-82: 2
Theory, computation, modelling, data, standards
Oral/poster
MS: Handling of big data in crystallography
Keywords: protein crystallography, X-ray diffraction, reproducibility, big data

IRRMC (https:// proteindiffraction.org): Impact on quality of structures in PDB

Marek Grabowski, Marcin Cymborowski, David Cooper, Wladek Minor

UNIVERSITY OF VIRGINIA, Charlottesville, United States of America

External Resource:
Video Link


3:20pm - 3:50pm
ID: 660 / MS-82: 3
Theory, computation, modelling, data, standards
Oral/poster
MS: Handling of big data in crystallography, High troughput vs. careful planning: How to get the best data?
Posters only: Theory, computation, modeling, data, standards (if it does not fit to any specific topics), General (if it does not fit to any specific topics nor areas)
Keywords: FAIR, MX data, Gold Standard, Archiving

A Gold Standard for the archiving of macromolecular diffraction data

Herbert J. Bernstein1, Andreas Förster2, Aaron S. Brewster3, Graeme Winter4

1Ronin Institute for Independent Scholarship, c/o NSLS II, Brookhaven National Laboratory, Upton, NY, USA; 2DECTRIS Ltd., Täfernweg 1,5405 Baden-Dättwil, CH; 3Lawrence Berkeley National Laboratory, 1 Cyclotron Road, Berkeley, CA 94720, USA; 4Diamond Light Source Ltd, Harwell Science and Innovation Campus, Didcot OX11 0DE, UK

External Resource:
Video Link


3:50pm - 4:15pm
ID: 1315 / MS-82: 4
All topics
Oral/poster
MS: Fragment screening - 1 project, 100 datasets, Handling of big data in crystallography, Data-driven discovery in crystallography
Special sessions: Online crystallography: Tools, apps and web services
Keywords: Auto-Rickshaw, Multiple dataset, AR, SAD, MRSAD

Data evaluation on the fly: Auto-Rickshaw at the MX beamlines of the Australian Synchrotron

Santosh Panjikar

Australian Synchrotron, ANSTO, Clayton, Australia

External Resource:
Video Link


4:15pm - 4:40pm
ID: 1582 / MS-82: 5
All topics
Invited lecture to session
Keywords: Covid-19, Advanced Information Systems, Structure validation

Rapid response to biomedical challenges and threats

Wladek Minor1, Mariusz Jaskolski2, Alexander Wlodawer3, Zbigniew Dauter3, Joanna Macnar4, Dariusz Brzezinski5, David Cooper1, Marcin Kowiel7, Miroslaw Gilski2, Ivan Shabalin1, Marek Grabowski1, Bernhard Rupp6

1University of Virginia, Charlottesville, United States of America; 2A. Mickiewicz University, Poznan, Poland; 3National Cancer Institute, United States of America; 4University of Warsaw, Warsaw, Poland; 5Poznan University of Technology, Poznan, Poland; 6k.-k Hofkristallamt, United States of America; 7Polish Academy of Sciences, Poland

External Resource:
Video Link


4:40pm - 5:05pm
ID: 1044 / MS-82: 6
Theory, computation, modelling, data, standards
Oral/poster
MS: Handling of big data in crystallography
Keywords: x-ray scattering, data transfer, computation

Development of an on-the-fly data processing with information-lossless compression for CITIUS detectors at SPring-8

Toshiyuki Nishiyama Hiraki1, Toshinori Abe1,2, Mitsuhiro Yamaga1,2, Takashi Sugimoto1,2, Kyosuke Ozaki1, Yoshiaki Honjo1, Yasumasa Joti1,2, Takaki Hatsui1

1RIKEN SPring-8 Center, Hyogo, Japan; 2Japan Synchrotron Radiation Research Institute, Hyogo, Japan

External Resource:
Video Link