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Supporting Preservation of
     Research Data in the Chemical
               Sciences.


Dr. Simon Coles
School of Chemistry, University of Southampton
2nd June 2009
Representation Information for
         Crystallography Data

• Representation Information (RI), from the OAIS Model, is any information
required to render, process, interpret, use and understand data.
• Registry/repository for RI (RRoRI) by the DCC and the CASPAR Project
• Crystallography domain and the workflow of the NCS are examined to identify
significant RI
• RI networks relating to the CIF file format are formulated and ingested into
the RRoRI
• Use case scenario describes how the RI stored in RRoRI may be used in order
to gain access to the information content of a CIF instance by someone
unfamiliar with that file format.
Preservation Planning for
             Crystallography Data
• Original plan was to apply a DRAMBORA assessement to
  each of the repositories in the
  federation as a means of raising awareness
  of curation and preseravtion issues.
• Now covers the notion of trust and trustworthiness
  with a brief look at several preservation planning
  tools including: the DCC Curation Lifecycle Model; the OAIS
  Reference Model; audit and certification instruments
  (TRAC, NESTOR, DRAMBORA, Data Seal of Approval); PLATO
  and PLATTER (from the PLANETS Project); and cost models
  (PrestoSpace, LIFE2 projects).
• Raises curation and preservation issues that are likely to be
  relevant in the context of a crystallography community and
  the eCrystals federation.
Preservation Metadata for
           Crystallography Data
• The original aim was to augment the eBank-
  UK application profile with preservation
  metadata specifically for crystallography data
• Superceded by the development of the
  crystallography Data Commons initiative
• Proposed the following…
Resources
•   Data Set/Collection,
•   Raw Data,
•   Derived Data,
•   Result Data,
•   Transient Data,
•   Workflow?
Publication/Dissemination
Persistent Identifier

Preservation Policy/strategy

Rights management: binding intellectual property rights that may limit the ability to
   preserve and disseminate the digital object over time e.g. use and reuse

Technical environment: describing the technical requirements needed to render and use
   the digital object e.g. File format, software, instrumentation

Provenance: the custodial history of the object

Context: contextual information indicating how the object was created and under what
   circumstances

Authenticity: validating that the digital object is in fact what purports to be, and has not
   been altered in an undocumented way e.g. checksum
Management
• Embargo e.g. policy

• Representation Information: any information
  required to render, process, use, reuse, interpret
  and understand the object e.g. Specifications;
  File formats; Software; Hardware; Semantics

• Preservation activity: actions taken to preserve
  the digital object, and any consequences of these
  actions that impact its look, feel, or functionality

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Supporting Preservation of Research Data in the Chemical Sciences

  • 1. Supporting Preservation of Research Data in the Chemical Sciences. Dr. Simon Coles School of Chemistry, University of Southampton 2nd June 2009
  • 2. Representation Information for Crystallography Data • Representation Information (RI), from the OAIS Model, is any information required to render, process, interpret, use and understand data. • Registry/repository for RI (RRoRI) by the DCC and the CASPAR Project • Crystallography domain and the workflow of the NCS are examined to identify significant RI • RI networks relating to the CIF file format are formulated and ingested into the RRoRI • Use case scenario describes how the RI stored in RRoRI may be used in order to gain access to the information content of a CIF instance by someone unfamiliar with that file format.
  • 3. Preservation Planning for Crystallography Data • Original plan was to apply a DRAMBORA assessement to each of the repositories in the federation as a means of raising awareness of curation and preseravtion issues. • Now covers the notion of trust and trustworthiness with a brief look at several preservation planning tools including: the DCC Curation Lifecycle Model; the OAIS Reference Model; audit and certification instruments (TRAC, NESTOR, DRAMBORA, Data Seal of Approval); PLATO and PLATTER (from the PLANETS Project); and cost models (PrestoSpace, LIFE2 projects). • Raises curation and preservation issues that are likely to be relevant in the context of a crystallography community and the eCrystals federation.
  • 4. Preservation Metadata for Crystallography Data • The original aim was to augment the eBank- UK application profile with preservation metadata specifically for crystallography data • Superceded by the development of the crystallography Data Commons initiative • Proposed the following…
  • 5. Resources • Data Set/Collection, • Raw Data, • Derived Data, • Result Data, • Transient Data, • Workflow?
  • 6. Publication/Dissemination Persistent Identifier Preservation Policy/strategy Rights management: binding intellectual property rights that may limit the ability to preserve and disseminate the digital object over time e.g. use and reuse Technical environment: describing the technical requirements needed to render and use the digital object e.g. File format, software, instrumentation Provenance: the custodial history of the object Context: contextual information indicating how the object was created and under what circumstances Authenticity: validating that the digital object is in fact what purports to be, and has not been altered in an undocumented way e.g. checksum
  • 7. Management • Embargo e.g. policy • Representation Information: any information required to render, process, use, reuse, interpret and understand the object e.g. Specifications; File formats; Software; Hardware; Semantics • Preservation activity: actions taken to preserve the digital object, and any consequences of these actions that impact its look, feel, or functionality