Author: Buckle, A.M.
Paper Title Page
WEPGF059 The Australian Store. Synchrotron Data Management Service for Macromolecular Crystallography 1
 
  • G.R. Meyer, S. Androulakis, P.J. Bertling, A.M. Buckle, W.J. Goscinski, D. Groenewegen, C. Hines, A. Kannan, S. McGowan, S.M. Quenette, J. Rigby, P. Splawa-Neyman, J.M. Wettenhall
    Monash University, Clayton, Australia
  • D. Aragao, T. Caradoc-Davies, N. Mudie
    SLSA, Clayton, Australia
  • C.S. Bond
    University of Western Australia, Crawley, Australia
 
  Store. Synchrotron is a service for management and publication of diffraction data from the macromolecular crystallography (MX) beamlines of the Australian Synchrotron. Since the start of the development, in 2013, the service has handled over 51.8 TB of raw data (~ 4.1 million files). Raw data and autoprocessing results are made available securely via the web and SFTP so experimenters can sync it to their labs for further analysis. With the goal of becoming a large public repository of raw diffraction data, a guided publishing workflow which optionally captures discipline specific information was built. The MX-specific workflow links PDB coordinates from the PDB to raw data. An optionally embargoed DOI is created for convenient citation. This repository will be a valuable tool for crystallography software developers. To support complex projects, integration of other instruments such as microscopes is underway. We developed an application that captures any data from instrument computers, enabling centralised data management without the need for custom ingestion workflows. The next step is to integrate the hosted data with interactive processing and analysis tools on virtual desktops.  
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