Abstract

With the popularity of hybrid pixel array detectors, hundreds of diffraction data sets are collected at a biological macromolecular crystallography (MX) beamline every day. Therefore, the manual processing and recording procedure will be a very time-consuming and error-prone task. Aquarium is an automatic data processing and experiment information management system designed for synchrotron radiation source MX beamlines. It is composed of a data processing module, a daemon module and a web site module. Before experiments, the sample information can be registered into a database. The daemon module will submit data processing jobs to a high-performance cluster as soon as the data set collection is completed. The data processing module will automatically process data sets from data reduction to model building if the anomalous signal is available. The web site module can be used to monitor and inspect the data processing results.

Keywords

DaemonComputer scienceData processingData managementBeamlineData reductionProcess (computing)Data miningComputer hardwareDatabaseOpticsOperating system

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Publication Info

Year
2019
Type
article
Volume
52
Issue
2
Pages
472-477
Citations
99
Access
Closed

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Feng Yu, Qisheng Wang, Minjun Li et al. (2019). <i>Aquarium</i>: an automatic data-processing and experiment information management system for biological macromolecular crystallography beamlines. Journal of Applied Crystallography , 52 (2) , 472-477. https://doi.org/10.1107/s1600576719001183

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DOI
10.1107/s1600576719001183