The Role of OAIS Representation Information in the Digital Curation of Crystallography Data

5th IEEE International Conference on e-Science 9-11 th December 2009 Oxford, UK Manjula Patel 1 , Simon Coles 2 , David Giaretta 3 , Stephen Rankin 3 , Brian McIlwrath 3 1 UKOLN, University of Bath, UK 2 EPSRC NCS, University of Southampton, UK 3 Science & Technology Facilities Council, UK The Role of Representation Information in the Digital Curation of Crystallography Data

Data Deluge The primary cause is the current data publication process, which is tied to journal articles and peer review 40 years ago a PhD student would determine about 3 crystal structures for their thesis – this can now be easily achieved in a day 35 million 2.5 million 0.5 million ‘ Few thousand’

The Solution Underlying data (Institutional data repository) Intellect & Interpretation (Journal article, report, etc)

The eCrystals Data Repository ,[object Object],[object Object],[object Object],[object Object],[object Object],[object Object],[object Object],[object Object],http:// ecrystals.chem.soton.ac.uk

A Thorough Approach to Dissemination ,[object Object],[object Object],[object Object],[object Object],[object Object],[object Object],[object Object],[object Object],[object Object],[object Object],[object Object],[object Object],[object Object],[object Object]

Building a Federation of Repositories

Crystallography Data Commons ,[object Object],[object Object],[object Object],[object Object],[object Object]

OAIS Background ,[object Object],[object Object],[object Object],[object Object],[object Object],[object Object],[object Object],[object Object],[object Object],[object Object],[object Object],[object Object]

OAIS Definition and Selected Concepts ,[object Object],[object Object],[object Object],[object Object],[object Object],[object Object],[object Object]

[object Object],[object Object],[object Object],Administration: services and functions needed to control the operation of the other OAIS functional entities on a day-to-day basis Preservation Planning: services and functions for monitoring the OAIS environment and ensuring that content remains accessible to the Designated Community Access: services and functions which make the archival information holdings and related services visible to Consumers OAIS Functional Entities

OAIS Information Model ,[object Object],[object Object],Information Object Representation Information 1+ interpreted using 1+ Data Object interpreted using Physical Object Digital Object Bit Sequence 1+

[object Object],[object Object],[object Object],[object Object],[object Object],[object Object],[object Object],OAIS Representation Information (RI)

Registry/Repository of RI (RRoRI) ,[object Object],[object Object],[object Object],[object Object],[object Object],[object Object],[object Object],[object Object],[object Object]

RRoRI: RI Label & CPID ,[object Object],[object Object],[object Object],[object Object],[object Object],[object Object],[object Object],[object Object],[object Object]

Use of CPID ,[object Object],[object Object],User gets data from archive. Data has associated Curation Persistent Identifier (CPID) User unfamiliar with data so requests RI using CPID User receives RI – which has its own CPID in case it is not immediately usable ,[object Object],[object Object],[object Object],[object Object],[object Object],[object Object]

Capturing RI: Crystallography Data ,[object Object],[object Object],[object Object],[object Object],[object Object],[object Object],[object Object],GETDATA XPREP SHELXS SHELXL ENCIFER CHECKCIF BABEL CML & INCHI RAW DERIVED DATA RESULTS DATA <id>.htm <id>.hkl <id>_0kl.jpg <id>_h0l.jpg <id>_hk0.jpg <id>_crystal.jpg <id>.prp <id>_xs.lst <id>_xl.lst <id>.res <id>.cif <id>_checkcif.htm <id>.mol <id>.cml <id>_inchi.cml

Internal to RRoRI External to RRoRI CIF RI Network (Partial) CPID Specification Format v1.1 (HTML) CPID Dictionary Definition Language Simple Dictionary Definition Language (DDL1) v1.4.1 Data Dictionary Specification Core Dictionary (coreCIF) v2.3.1 CPID CPID Data Object CIF file RI Label CPID Structure Semantic Other Data Dictionary Specification Powder Dictionary (pdCIF) v1.0.1 CPID CPID Software CIF Syntax Checker (vcif) CPID Software Converter (cif2SX) RI Label CPID Structure Semantic Other Specification v1.4.1 (PDF) CPID Specification v1.4.1 (ASCII text) CPID Documentation V4.1 (archival, text) CPID Service Search Interface (HTML) CPID RI Label CPID Structure Semantic Other Specification v1.0.1 (PDF) CPID Documentation (HTML) CPID

RRoRI GUI Tool A client with a GUI for ingest, search and retrieval of RI and RI labels

Conclusions ,[object Object],[object Object],[object Object],[object Object],[object Object],[object Object]

Thank You ,[object Object],[object Object],[object Object],[object Object]

The Role of OAIS Representation Information in the Digital Curation of Crystallography Data

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