JISC

Overview

This project (I2S2) will identify requirements for a data-driven research infrastructure in "Structural Science", focusing on the domain of Chemistry, but with a view towards inter-disciplinary application. I2S2 will develop use cases that explore perspectives of scale and complexity and research discipline throughout the data lifecycle.

Two research data management pilots based on use cases, will examine the business processes of research, and highlight the benefits of an integrated approach. Both pilots will address traversing administrative boundaries between institutions to national facilities in addition to issues of scale (local laboratory to national facilities, DIAMOND synchrotron and ISIS respectively). Pilot 2 will in particular, apply the approach to Earth Sciences and demonstrate the benefit to scientific disciplines other than Chemistry.

A key component of the infrastructure will be a harmonised Integrated Information Model to include all stages of the Data Life Cycle.

A 'before and after' cost-benefit analysis will be performed using the Keeping Research Data Safe (KRDS2) model, which will be extended to address inter-disciplinary requirements in I2S2.

Aims and Objectives

• Develop a framework for data management deployable across the Structural Sciences 
• Explore a range of data acquisition techniques at different scales 
• Promote common and easy access to data, experimental and computational resources so that transaction costs can be minimised 
• Advocate recognition in the community for sharing data and encourage its reuse 
• Enable discovery of results in related disciplines via common terms for inter-disciplinary research 
• Facilitate access to data underpinning publications with higher levels of verification, resulting in higher quality research 
• Enhance rapid communication across the community 
• Support long-term preservation assuring future discovery of results and needless reproduction of work
  

Project methodology

WP1 (UKOLN/DCC) is dedicated to requirements capture at each of the three sites together with a desk-based synthesis of prior evidence, a gap analysis and immersive case studies to give perspectives on current research practice in chemistry & earth sciences.

WPs 2 (Soton), 4 (Soton) and 6 (UKOLN/DCC) provide pre- and post-implementation cost analysis data, a cost-benefit analysis of the infrastructure, a business plan and a series of sustainability recommendations for different elements of the infrastructure.

WP3 (STFC) focuses on pre-implementation harmonisation of infrastructure models and components. It also includes two pilot implementations of the infrastructure.

The project will provide the community with pilot infrastructure solutions which bridge disciplines, laboratory and institutional boundaries. WP5 (UKOLN/DCC) will disseminate these insights through publications, reports and workshops and through the central large-scale and meso-facility nodes.

Anticipated outputs and outcomes

WP1: Requirements Report; Two Use Cases

WP2: Extended Cost Model; Cost Analysis Phase 1

WP3: Integrated Information Model; Implementation Plan; 2 Pilot Implementations with case studies

WP4: Cost Analysis Phase 2; Benefits Report and Business Model

WP5: Advocacy and Training materials; Two workshops

WP6: Project Plan, Final Report, Sustainability Recommendations

The project will provide the community with pilot infrastructure solutions which bridge disciplines, laboratory and institutional boundaries.

Technology / Standards used

• DCC Data Management Plan checklist
• DCC Data Audit Framework
• DCC Curation Lifecycle Model
• PREMIS
• Keeping Research Data Safe Model (KRDS)
• STFC Scientific Metadata Model (CSMD)
• ICAT
• Chemical Mark-up Langauge (CML)
• UML, XML, RDF
• CIF, checkCIF, InChi