16-19 October 2016
Copenhagen University
Europe/Copenhagen timezone

Data acquisition and analysis software at the Swiss Light Source macromolecular crystallography beamlines

18 Oct 2016, 17:00
20m
Marble Hall (Copenhagen University)

Marble Hall

Copenhagen University

Thorvaldsensvej 40
Oral Contribution Contributions 6

Speaker

Dr. Justyna Aleksandra Wojdyla (Paul Scherrer Institut)

Description

Data acquisition software is an essential component of modern macromolecular crystallography (MX) beamlines, allowing for efficient use of beamtime at synchrotron facilities. Coupled with our highly distributed automatic data processing routines it allows assessment of data quality on the fly. Developed at the Paul Scherrer Institut, the DA+ data acquisition software is implemented at all three 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, hardware/detector and online processing. The DA+ provides a simple and intuitive GUI, which supports conventional, as well as advanced data acquisition protocols, such as multi-orientation SAD, energy interleaved MAD, raster scan and serial crystallography. Automatic data processing routines utilize freely available crystallographic data analysis programs and deliver near real time results for data collected with PILATUS (CBF format) and EIGER X (HDF5 format) detectors. Experiment metadata and processing results are stored in a MongoDB database for further inspection and data mining. The latter is accomplished with a Google Polymer based application, which allows users to monitor the ongoing experiment during beamtime. The software architecture enables exploration of the full potential of the latest instrumentations at the SLS MX beamlines. For example, grid scan frames are ZMQ-streamed from an EIGER X 16M Dectris detector at high frame rates and analysed on the fly before being persisted to GPFS storage.

Primary author

Dr. Justyna Aleksandra Wojdyla (Paul Scherrer Institut)

Co-authors

Dr. Ezequiel Panepucci (Paul Scherrer Institut) Dr. Jakub Kaminski (Paul Scherrer Institut) Mr. Jose Gabadinho (Paul Scherrer Institut) Dr. Meitian Wang (Paul Scherrer Institut) Mr. Simon Gregor Ebner (Paul Scherrer Institute) Dr. Xiaoqiang Wang (Paul Scherrer Institut)

Presentation Materials

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