DA plus data acquisition and analysis software at the Swiss Light Source macromolecular crystallography beamlines

被引:55
作者
Wojdyla, Justyna Aleksandra [1 ]
Kaminski, Jakub W. [1 ]
Panepucci, Ezequiel [1 ]
Ebner, Simon [1 ]
Wang, Xiaoqiang [1 ]
Gabadinho, Jose [1 ]
Wang, Meitian [1 ]
机构
[1] Paul Scherrer Inst, Swiss Light Source, CH-5232 Villigen, Switzerland
关键词
protein crystallography; data acquisition software; online data analysis; beamline automation; graphical user interface; X-RAY CRYSTALLOGRAPHY; DATA-COLLECTION; CONTROL-SYSTEM; SYNCHROTRON; OPERATION; ICE;
D O I
10.1107/S1600577517014503
中图分类号
TH7 [仪器、仪表];
学科分类号
0804 ; 080401 ; 081102 ;
摘要
Data acquisition software is an essential component of modern macromolecular crystallography (MX) beamlines, enabling efficient use of beam time at synchrotron facilities. Developed at the Paul Scherrer Institute, the DA+ data acquisition software is implemented at all three Swiss Light Source (SLS) MX beamlines. DA+ consists of distributed services and components written in Python and Java, which communicate via messaging and streaming technologies. The major components of DA+ are the user interface, acquisition engine, online processing and database. Immediate data quality feedback is achieved with distributed automatic data analysis routines. The software architecture enables exploration of the full potential of the latest instrumentation at the SLS MX beamlines, such as the SmarGon goniometer and the EIGER X 16M detector, and development of new data collection methods.
引用
收藏
页码:293 / 303
页数:11
相关论文
共 43 条
[11]  
Finke AD, 2016, METHODS MOL BIOL, V1320, P175, DOI 10.1007/978-1-4939-2763-0_11
[12]   MxCuBE: a synchrotron beamline control environment customized for rnacromolecular crystallography experiments [J].
Gabadinho, Jose ;
Beteva, Antonia ;
Guijarro, Matias ;
Rey-Bakaikoa, Vicente ;
Spruce, Darren ;
Bowler, Matthew W. ;
Brockhauser, Sandor ;
Flot, David ;
Gordon, Elspeth J. ;
Hall, David R. ;
Lavault, Bernard ;
McCarthy, Andrew A. ;
McCarthy, Joanne ;
Mitchell, Edward ;
Monaco, Stephanie ;
Mueller-Dieckmann, Christoph ;
Nurizzo, Didier ;
Ravelli, Raimond B. G. ;
Thibault, Xavier ;
Walsh, Martin A. ;
Leonard, Gordon A. ;
McSweeney, Sean M. .
JOURNAL OF SYNCHROTRON RADIATION, 2010, 17 :700-707
[13]   Web-Ice:: integrated data collection and analysis for macromolecular crystallography [J].
Gonzalez, A. ;
Moorhead, P. ;
McPhillips, S. E. ;
Song, J. ;
Sharp, K. ;
Taylor, J. R. ;
Adams, P. D. ;
Sauter, N. K. ;
Soltis, S. M. .
JOURNAL OF APPLIED CRYSTALLOGRAPHY, 2008, 41 :176-184
[14]   A public database of macromolecular diffraction experiments [J].
Grabowski, Marek ;
Langner, Karol M. ;
Cymborowski, Marcin ;
Porebski, Przemyslaw J. ;
Sroka, Piotr ;
Zheng, Heping ;
Cooper, David R. ;
Zimmerman, Matthew D. ;
Elsliger, Marc-Andre ;
Burley, Stephen K. ;
Minor, Wladek .
ACTA CRYSTALLOGRAPHICA SECTION D-STRUCTURAL BIOLOGY, 2016, 72 :1181-1193
[15]  
HENDRICKSON WA, 1985, METHOD ENZYMOL, V115, P41
[16]   A beginner's guide to radiation damage [J].
Holton, James M. .
JOURNAL OF SYNCHROTRON RADIATION, 2009, 16 :133-142
[17]   In meso in situ In meso in situ serial X-ray crystallography of soluble and membrane proteins at cryogenic temperatures [J].
Huang, Chia-Ying ;
Olieric, Vincent ;
Ma, Pikyee ;
Howe, Nicole ;
Vogeley, Lutz ;
Liu, Xiangyu ;
Warshamanage, Rangana ;
Weinert, Tobias ;
Panepucci, Ezequiel ;
Kobilka, Brian ;
Diederichs, Kay ;
Wang, Meitian ;
Caffrey, Martin .
ACTA CRYSTALLOGRAPHICA SECTION D-STRUCTURAL BIOLOGY, 2016, 72 :93-112
[18]   In meso in situ serial X-ray crystallography of soluble and membrane proteins [J].
Huang, Chia-Ying ;
Olieric, Vincent ;
Ma, Pikyee ;
Panepucci, Ezequiel ;
Diederichs, Kay ;
Wang, Meitian ;
Caffrey, Martin .
ACTA CRYSTALLOGRAPHICA SECTION D-STRUCTURAL BIOLOGY, 2015, 71 :1238-1256
[19]   Fixed-target protein serial microcrystallography with an x-ray free electron laser [J].
Hunter, Mark S. ;
Segelke, Brent ;
Messerschmidt, Marc ;
Williams, Garth J. ;
Zatsepin, Nadia A. ;
Barty, Anton ;
Benner, W. Henry ;
Carlson, David B. ;
Coleman, Matthew ;
Graf, Alexander ;
Hau-Riege, Stefan P. ;
Pardini, Tommaso ;
Seibert, M. Marvin ;
Evans, James ;
Boutet, Sebastien ;
Frank, Matthias .
SCIENTIFIC REPORTS, 2014, 4
[20]   EDNA: a framework for plugin-based applications applied to X-ray experiment online data analysis [J].
Incardona, Marie-Francoise ;
Bourenkov, Gleb P. ;
Levik, Karl ;
Pieritz, Romeu A. ;
Popov, Alexander N. ;
Svensson, Olof .
JOURNAL OF SYNCHROTRON RADIATION, 2009, 16 :872-879