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[edit] Towards an International Data Commons for Crystallography (TIDCC)

An initial meeting, Towards an International Data Commons for Crystallography, was held on 9 September 2008 at the Australian National University, Canberra.

The objective of the meeting was to initiate a process to establish an Australian consensus for a repository interchange format suitable for packaging raw crystallography research data/metadata, and to determine a framework for its publication and discovery. The broader objective is to contribute to the development of an internationally accepted solution for crystallographic data storage, publication and curation.

For convenience sake, we have adopted a temporary name for this initiative: Towards an International Data Commons for Crystallography (TIDCC). However, we assume that the broad consensus reached by Ashley Buckle (TARDIS project), Simon Coles (eCrystals), Peter Turner(MMSN) and others at the recent IUCr2008 Congress in Osaka, Japan, may mean the adoption of a new name.

While in Osaka, Simon Coles and Mike Hursthouse (University of Southampton UK, leaders of the eCrystals project) chaired a workshop titled New Routes to Crystallographic Data Publication. As a follow up to this workshop, interested participants were invited by Brian McMahon (International Union of Crystallography; IUCr ) to contribute to a white-paper being prepared by the IUCr addressing community and technical requirements for crystallographic repositories. It is anticipated that the white paper will impact on the work described below, at some stage in the near future.

[edit] Topics

  • Adrian Burton discussed the overall mission of the ANDS programs run by the ANU and their specific contribution of its 'Utility' services to the IDCC (or whatever name it assumes in the future) in the areas of discovery, data packaging and repository deposit. With James Blanden, he also demonstrated and discussed the role of the ORCA Registry in a possible discovery scenario. Scott Yeadon followed with a presentation of the APSR/ANDS work on improving the repository deposition process, including the use of the Australian METS Profile and SWORD protocol, as described in the OJS/OCS Repository Deposit Project.
  • Steve Androulakis presented his work on TARDIS (The Australian Repositories for Diffraction Images). This included the current TARDIS repository interchange format (for X-Ray Diffraction Images), deposition tools and federated search via the ARROW repository. TARDIS Slides
  • These presentations were interspersed with discussions leading to a technical solution and an overall development road map (see follow up actions below).
  • In afternoon session Anthony Beitz presented the overall ARCHER portfolio of developments, which moved into a discussion of the strategic trends and developments in research data management. In this we were joined by Stephen McMahon of ARCS who detailed where the ARCS Data Fabric might fit into the picture. Peter Turner provided the disciplinary and practitioners perspective. ARCHER Slides

[edit] Actions

  • Extend/augment the current TARDIS deposition process to adopt the SWORD protocol and a draft implementation profile (to be renamed perhaps) Crystallographic Data Interchange Profile (CryDIP) for data packaging along the lines informally agreed between Steve Androulakis and Scott Yeadon at the meeting. As part of this work, Scott Yeadon will initiate a general metadata implementation profile for scientific data sets based on the STFC Scientific Metadata Model along the lines currently documented in the CryDIP discussion page, and the draft e-Crystals profile. This action item is due on 26 September.
  • Following the completion of the previous step(s), Chris Blackall and/or Anthony Beitz will organize a meeting of a reference group comprising representatives of the crystallography community and ANDS staff to review the CryDIP for its fitness to task (at a date and time in October to be determined). Suggested members of this reference group include Ashley Buckle, Simon Coles , Douglas du Boulay, James Hester, Peter Turner, Steve Androulakis, Scott Yeadon, Anthony Beitz and Chris Blackall. Reference to be made to the IUCr Crystallographic Information Framework and associated dictionaries.
  • Based on the decisions of the reference group, Steve Androulakis and Scott Yeadon will incorporate the changes in their respective areas of responsibility.
  • The candidate Crystallographic Data Interchange Profile (version 0.1) and associated documentation will be released for community consultation and feedback (Ashley Buckle and/or Peter Turner to action).

The following action item is to be confirmed

  • Adrian Burton, Andrew Treloar, Ross Wilkinson, David Groenewegen and relevant parties will initiate a dialogue with TARDIS, DataMINX, eCrystals, IUCR et. al. stakeholders to discuss future strategy/action towards a national and international data commons for crystallography.

[edit] Attendees

  • Adrian Burton , Scott Yeadon, Leo Monus, James Blanden, Chris Blackall (APSR/ANDS)
  • Peter Turner (MMSN, DataMINX, University of Sydney)
  • Steve Androulakis (Monash BioChem Dept.)
  • Anthony Beitz (ARCHER, ANDS)
  • Clare Sloggett (INTERSECT)
  • Stephen McMahon (ANUSF Dataset Manager, ARCS Assistant Manager Data Team), Joseph Antony

[edit] Links

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