1,722,102 research outputs found

    A repository based framework for capture, management, curation and dissemination of research data

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    Based on the e-Bank-UK (http://www.ukoln.ac.uk/projects/ebank-uk) and Repository for the Laboratory, R4L (http://r4l.eprints.org) projects, a working model for a scientific data capture, management, curation and dissemination framework will be presented. The eCrystals repository has been constructed on an institutional repository platform and has been configured to ingest small molecule crystallographic data generated by the UK National Crystallography Service, whilst the R4L repository supports a range of different types of analytical chemistry data. This model addresses the current escalating ‘data deluge’ problem through integration of digital libraries technologies with both the research laboratory and also with established publication and dissemination routes. The institutional model provides a potential mechanism for the long term archival and availability of information in a manner that enables the capture of its research data output through integration into the laboratory environment. The repository ingest process ensures full capture of laboratory data and effective metadata creation at the point it is generated. A private archive provides effective management of the data, whilst an embargo procedure allows dissemination of results through a public archive in a timely manner. A schema for the dissemination of crystallographic data has been devised through consultation with the community which enables effective harvesting by data centres and third party aggregator services. The use of persistent identifiers provides a mechanism to permanently link the conventional scholarly article with its associated underlying dataset. Current work is investigating the issues associated with the construction of a federation of data repositories (institutional and subject based) operating on different software platforms and its long term integration into the publishing and chemical information provision processes

    Data management in the chemistry domain

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    Designing data repositories to support preservation and publication for the chemistry community

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    This presentation begins by outlining the changing nature of the exchange of chemical information and the new opportunities that are provided by the new generation of tools and services available on the world wide web. It then goes on to demonstrate the clear need for a new and structured approach to storing, managing and disseminating such information, given the current data deluge and approach to publishing. The Institutional Repository approach is presented as a solution and models, prototypes, policies and financial case studies are presented. The concept of using Blog technology to collaborate and exchange information relating to chemical experiments is discussed and an example of Open Notebook Science presented. Finally the concept of implementing the OAI-ORE protocol to wrap up heterogeneous data types from different sources and analytical experiments to produce an exchangeable complex digital object package that is self describing and may be shared using new social networking approaches (in particular the myExperiment project) is outlined

    Capturing and sharing chemistry research data

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    Recent developments in scientific instrument hardware and a vast increase in computational processing power have seen an exponential increase in the rate and quantity of research data produced. This poses many problems with the effective capture and management of the data and despite advances in electronic publishing the traditional processes for dissemination are failing to keep up with this new pace of generation. The talk will outline the current problems with capturing and making available chemistry data and will present a model, based on institutional data repositories and harvester/aggregator services, for the changing landscape of the research data lifecycle in the field of chemical crystallography

    Open Archives as a Route for Capture, Dissemination and Access to Chemical Data and Information

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    Modern advances in high throughput synthesis, scientific analytical instrumentation and data analysis and mining techniques are presenting increasingly big challenges for chemical information management and discovery. Consequently, the conventional process of peer review of journal articles as the primary route for the dissemination of scientific data is unable to keep apace with these high rates of generation and is hindering the passage of this data to the public domain. The architecture and philosophy of the Open Archive presents a solution to both the data management and publication problems. Recent work undertaken by the eBank-UK project (http://www.ukoln.ac.uk/projects/ebank-uk/) has been addressing the issue of dissemination of scientific data and uses the philosophy of the Open Archive Initiative (OAI) to solve this problem, whilst the R4L project (http://r4l.eprints.org) uses the same approach for laboratory data management. The UK National Crystallography Service (NCS) (http://www.ncs.chem.soton.ac.uk/) has developed an Open Archive infrastructure for crystal structure data (http://ecrystals.chem.soton.ac.uk) as an exemplar of this methodology. All the data generated during the course of the crystal structure determination experiment is seamlessly or automatically captured, time-stamped for priority assertion purposes and deposited in a laboratory management repository. A report generation tool is then employed to collate all experimental information in the laboratory repository, based on a particular compound. This report is utilised to prepare a journal article, based on the experimental data, and both write ups are subsequently deposited in an Institutional Repository. The Institutional Repository publicises its data content to the internet through Open Archive Initiative (OAI) protocols, which allows aggregator services to harvest pertinent metadata. The aggregator search and discovery tools then provide seamless and unhindered access to the scientific reports and their underlying data, thus maximising efficient sharing of experimental chemical information
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