Scalable cyberinfrastructure for experimental NMR data

Area of Science:

• Biomedicine
• Chemistry
• Material Science

Background:

• Nuclear Magnetic Resonance (NMR) facilities are often fragmented, limiting access to advanced instrumentation and data.
• Emerging data standards in biomedicine, chemistry, and material science require robust infrastructure for data management and sharing.

Purpose of the Study:

• To establish a novel distributed resource, the Network for Advanced NMR (NAN), connecting NMR facilities.
• To create a scalable cyberinfrastructure supporting NMR data harvesting, management, and discovery.
• To enable emerging data standards and democratize access to NMR resources.

Main Methods:

• Integration of NMR facilities around a centralized hub for identity management, resource discovery, and access control.
• Automated data harvesting via the NAN data transport system (NDTS).
• Metadata-rich data archiving with interactive web-based tools for data browsing, editing, and publishing.

Main Results:

• NAN provides access to the first open-access 1.1 GHz NMR instruments in the USA.
• Implementation of tools for facility and laboratory data management.
• Development of NAN knowledgebases with standardized protocols, parameters, and datasets.

Conclusions:

• NAN successfully democratizes access to advanced NMR resources.
• The platform fosters open, reproducible science through enhanced data sharing and management.
• NAN supports the development and adoption of emerging data standards in scientific research.