ICALEPCS2015 - List of Authors (Goscinski, W.J.)

Paper	Title	Page
WEPGF059	The Australian Store. Synchrotron Data Management Service for Macromolecular Crystallography	830
	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.
	Poster WEPGF059 [2.177 MB]
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WED3O01	MASSIVE: an HPC Collaboration to Underpin Synchrotron Science	640
	W.J. Goscinski Monash University, Faculty of Science, Clayton, Victoria, Australia K. Bambery, C.J. Hall, A. Maksimenko, S. Panjikar, D. Paterson, C.G. Ryan, M. Tobin ASCo, Clayton, Victoria, Australia C.U. Felzmann SLSA, Clayton, Australia C. Hines, P. McIntosh Monash University, Clayton, Australia D.A. Thompson CSIRO ATNF, Epping, Australia
	MASSIVE is the Australian specialised High Performance Computing facility for imaging and visualisation. The project is a collaboration between Monash University, Australian Synchrotron and CSIRO. MASSIVE underpins a range of advanced instruments, with a particular focus on Australian Synchrotron beamlines. This paper will report on the outcomes of the MASSIVE project since 2011, in particular focusing on instrument integration, and interactive access. MASSIVE has developed a unique capability that supports an increasing number of researchers generating and processing instrument data. The facility runs an instrument integration program to help facilities move data to an HPC environment and provide in-experiment data processing. This capability is best demonstrated at the Imaging and Medical Beamline where fast CT reconstruction and visualisation is now essential to performing effective experiments. The MASSIVE Desktop provides an easy method for researchers to begin using HPC, and is now an essential tool for scientists working with large datasets, including large images and other types of instrument data.
	Slides WED3O01 [28.297 MB]
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Paper

Title

Page

The Australian Store. Synchrotron Data Management Service for Macromolecular Crystallography

830

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.

Poster WEPGF059 [2.177 MB]

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reference for this paper using ※ BibTeX, ※ LaTeX, ※ Text/Word, ※ RIS, ※ EndNote (xml)

WED3O01

MASSIVE: an HPC Collaboration to Underpin Synchrotron Science

640

W.J. Goscinski
Monash University, Faculty of Science, Clayton, Victoria, Australia
K. Bambery, C.J. Hall, A. Maksimenko, S. Panjikar, D. Paterson, C.G. Ryan, M. Tobin
ASCo, Clayton, Victoria, Australia
C.U. Felzmann
SLSA, Clayton, Australia
C. Hines, P. McIntosh
Monash University, Clayton, Australia
D.A. Thompson
CSIRO ATNF, Epping, Australia

MASSIVE is the Australian specialised High Performance Computing facility for imaging and visualisation. The project is a collaboration between Monash University, Australian Synchrotron and CSIRO. MASSIVE underpins a range of advanced instruments, with a particular focus on Australian Synchrotron beamlines. This paper will report on the outcomes of the MASSIVE project since 2011, in particular focusing on instrument integration, and interactive access. MASSIVE has developed a unique capability that supports an increasing number of researchers generating and processing instrument data. The facility runs an instrument integration program to help facilities move data to an HPC environment and provide in-experiment data processing. This capability is best demonstrated at the Imaging and Medical Beamline where fast CT reconstruction and visualisation is now essential to performing effective experiments. The MASSIVE Desktop provides an easy method for researchers to begin using HPC, and is now an essential tool for scientists working with large datasets, including large images and other types of instrument data.

Slides WED3O01 [28.297 MB]

Export •

reference for this paper using ※ BibTeX, ※ LaTeX, ※ Text/Word, ※ RIS, ※ EndNote (xml)