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Publisher perspective

eBank/R4L/SPECTRa Joint Consultation Workshop London Metropole Hotel 20 October 2006. Publisher perspective. International Union of Crystallography. International Scientific Union (ICSU)

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Publisher perspective

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  1. eBank/R4L/SPECTRa Joint Consultation Workshop London Metropole Hotel 20 October 2006 Publisher perspective

  2. International Union of Crystallography • International Scientific Union (ICSU) • Publisher: 8 primary research journals • Commission on Journals • Fosters cooperation between public curated databases (CCDC, ICSD, PDB, CrystMet, ICDD…) • Committee on Crystallographic Databases • Promotes data exchange standards (CIF, mmCIF, CBF/imgCIF…) • Committee on the Maintenance of the CIF Standard (COMCIFS) • Representatives on ICSTI and CODATA • Committee on Electronic Publication, Dissemination and Storage of Information

  3. IUCr publishing operations Journals • Acta Crystallographica Section A, 6 issues, 700 pp. • Acta Crystallographica Section B, 6 issues, 1000 pp. • Acta Crystallographica Section C, 12 issues, 1500 pp. • Acta Crystallographica Section D, 12 issues, 1800 pp. • Acta Crystallographica Section E, 12 issues, 8000 pp. • Acta Crystallographica Section F, 12 issues, 1200 pp. • Journal of Applied Crystallography, 6 issues, 1100 pp. • Journal of Synchrotron Radiation, 6 issues, 600 pp. Online services • Crystallography Journals Online, 70000 articles, 250000 pages • World Directory of Crystallographers • checkCIF • International Tables Online

  4. Crystal structure reports - data-rich scientific articles • 3D positional coordinates • Atomic motions • Molecular geometry • Chemical bonding • Crystal packing • Chemical behaviour arising from structure • Two dedicated IUCr journals: Acta Cryst. C, E • Important part of scientific discussion in many other titles: Acta Cryst. B, D, F Journal and data publication is integrated

  5. IUCr as a data publisher The IUCr data archive consists of approximately 25000 primary and 25000 derived data sets

  6. Journal and datapublication is integrated

  7. All data sets are checked http://checkcif.iucr.org

  8. All data sets have DOIs

  9. Other practices Links are provided to structural data • Protein Data Bank entries • Nucleic Acid Database entries • Cambridge Structural Database summaries • Future: • Other structural databases • Federated data repositories Data are automatically deposited with the main crystallographic databases

  10. What happens elsewhere • Supplementary data in chemistry journals • data may or may not be held by the journal • CIFs may or may not be compliant • substantial effort may be necessary to harvest data for crystallographic databases • Voluntary deposit with crystallographic databases • coverage may be patchy • Industrial and pharmaceutical companies • Deposit of structure factors • Total loss

  11. Data publication at source Initiatives such as eBank are particularly valuable: • Some prospect of longevity especially when federated • Use of common protocols/federation • Address domain-specific concerns • Large enough (as federated entities) to discuss special arrangements for archiving (including with publishers) • Comprehensive within user base (does not rely on voluntary action) • Facilitate transfer of data to curated databases and journals

  12. Important features • Standard data formats (CIF) • OAI-PMH • DOI, openURL • Standard metadata • Links to all data • Two-way links to publication • Rights • Quality (checkCIF)

  13. Ways in which the IUCrcan help Short term • Continue to consult on metadata specification • Advocacy through Committee on Crystallographic Databases, CODATA Longer term • Provide web index to data ‘publishers’ such as eBank • Validation analysis (checkCIF etc.) • Search engine • Mirror/archive content

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