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

被引：50

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

来源：

JOURNAL OF SYNCHROTRON RADIATION | 2018年 / 25卷

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

页码：293 / 303

页数：11

共 43 条

[1]

[Anonymous], HDF5

[2] Cheetah: software for high-throughput reduction and analysis of serial femtosecond X-ray diffraction data [J].

Barty, Anton ;

Kirian, Richard A. ;

Maia, Filipe R. N. C. ;

Hantke, Max ;

Yoon, Chun Hong ;

White, Thomas A. ;

Chapman, Henry .

JOURNAL OF APPLIED CRYSTALLOGRAPHY, 2014, 47 :1118-1131

[3] iMOSFLM: a new graphical interface for diffraction-image processing with MOSFLM [J].

Battye, T. Geoff G. ;

Kontogiannis, Luke ;

Johnson, Owen ;

Powell, Harold R. ;

Leslie, Andrew G. W. .

ACTA CRYSTALLOGRAPHICA SECTION D-BIOLOGICAL CRYSTALLOGRAPHY, 2011, 67 :271-281

[4] SLS Crystallization Platform at Beamline X06DA-A Fully Automated Pipeline Enabling in Situ X-ray Diffraction Screening [J].

Bingel-Erlenmeyer, R. ;

Olieric, V. ;

Grimshaw, J. P. A. ;

Gabadinho, J. ;

Wang, X. ;

Ebner, S. G. ;

Isenegger, A. ;

Schneider, R. ;

Schneider, J. ;

Glettig, W. ;

Pradervand, C. ;

Panepucci, E. H. ;

Tomizaki, T. ;

Wang, M. ;

Schulze-Briese, C. .

CRYSTAL GROWTH & DESIGN, 2011, 11 (04) :916-923

[5] Optimization of data collection taking radiation damage into account [J].

Bourenkov, Gleb P. ;

Popov, Alexander N. .

ACTA CRYSTALLOGRAPHICA SECTION D-STRUCTURAL BIOLOGY, 2010, 66 :409-419

[6] Data collection strategy [J].

Dauter, Z .

MACROMOLECULAR CRYSTALLOGRAPHY, PT A, 1997, 276 :326-344

[7] ISPyB: an information management system for synchrotron macromolecular crystallography [J].

Delageniere, Solange ;

Brenchereau, Patrice ;

Launer, Ludovic ;

Ashton, Alun W. ;

Leal, Ricardo ;

Veyrier, Stephanie ;

Gabadinho, Jose ;

Gordon, Elspeth J. ;

Jones, Samuel D. ;

Levik, Karl Erik ;

McSweeney, Sean M. ;

Monaco, Stephanie ;

Nanao, Max ;

Spruce, Darren ;

Svensson, Olof ;

Walsh, Martin A. ;

Leonard, Gordon A. .

BIOINFORMATICS, 2011, 27 (22) :3186-3192

[8] CHOOCH:: a program for deriving anomalous-scattering factors from X-ray fluorescence spectra [J].

Evans, G ;

Pettifer, RF .

JOURNAL OF APPLIED CRYSTALLOGRAPHY, 2001, 34 :82-86

[9] Scaling and assessment of data quality [J].

Evans, P .

ACTA CRYSTALLOGRAPHICA SECTION D-STRUCTURAL BIOLOGY, 2006, 62 :72-82

[10] Low-Z polymer sample supports for fixed-target serial femtosecond X-ray crystallography [J].

Feld, Geoffrey K. ;

Heymann, Michael ;

Benner, W. Henry ;

Pardini, Tommaso ;

Tsai, Ching-Ju ;

Boutet, Sebastien ;

Coleman, Matthew A. ;

Hunter, Mark S. ;

Li, Xiaodan ;

Messerschmidt, Marc ;

Opathalage, Achini ;

Pedrini, Bill ;

Williams, Garth J. ;

Krantz, Bryan A. ;

Fraden, Seth ;

Hau-Riege, Stefan ;

Evans, James E. ;

Segelke, Brent W. ;

Frank, Matthias .

JOURNAL OF APPLIED CRYSTALLOGRAPHY, 2015, 48 :1072-1079

← 1 2 3 4 5 →