Feature Summary

Knowledgebase (KB) Learning Resources

• Novice KBs – Primers covering the use of NMR across diverse disciplines including proteins, nucleic acids, materials and chemistry, metabolomics, and other biological samples.
• Expert KB datasets – Exemplar datasets on test samples with well vetted pulse programs and supplemented with protocols for sample preparation, experimental setups, data processing, and analysis along with processing scripts and processed data.
• Vignette library – Community-driven summaries of peer-reviewed NMR studies showcasing real-world applications.
• Materials Periodic Table – Interactive periodic table to explore the feasibility of utilizing NMR in materials science.

Facilities and Instruments

• Ultra-High-Field (UHF) NMR spectrometers – Open-access to two 1.1 GHz NMR instruments: one for solids (NMRFAM), one for solutions (CCRC)
• Facilities – Views of all facilities connected to the NAN network and the services which they provide
• Instruments – Filterable and sortable tables that list all spectrometers, and probes, connected to the NAN network
• UHF access request system – Structured, review-based workflow to request access to NAN’s two 1.1 GHz spectrometers and other UHF assets that choose to utilize the UHF request system.

Data Transport & Management

• NDTS (NAN Data Transport System) – automated pipeline that harvests raw experiment data from spectrometer workstations to the central archive with rich metadata linking (facility, spectrometer, probe, user, project, study, sample, experimental parameters, etc.).
• Secure archival – NAN harvested datasets are stored on an enterprise-class network attached storage device and backed up to a geo-dispersed WORM enabled S3 bucket with high data durability. The NAN database is replicated across two datacenters and backed up daily.
• Data Browsers – Suite of tables for viewing and managing datasets, samples, and collections. Tables are customizable and each column may be filtered and sorted allowing for powerful queries. Standard and user-defined filters provide quick access to common views. A context menu allows easy access to actions.
• Actions – Actions allow datasets to be viewed/edited, reassigned, downloaded, pushed to NMRbox, linked to samples, and annotated with classifications, tags, and notes. Actions work with multi-select for efficiency.
• Supplemental data – Supplemental data may be added to datasets with a defined category and type (URL, unique identifier, file in dataset, uploaded file).
• Sample definitions – Tools to define samples across a wide range of disciplines with tabs for defining the sample description, container, composition, and sample properties. Sample components are defined by type, role, quantity, and isotopic labeling with additional details based on component type (protein, chemical formula, carbohydrate, mixtures, polymers, etc.). Tools exist for creating sets of samples for environmental and metabolomics, and an interaction manager allows component interactions to be defined.
• Organization – All lab datasets are accessible from a single view. Hierarchical structure (Projects > Studies > Collections) mirrors a file system for lab data. User collections supported.
• Navigation bar – Sidebar enables switching between public, KB, lab/personal, and all datasets & samples.

Public and Published Datasets

• Public Datasets – Datasets may be marked public anytime and automatically become public three years after harvesting. Release dates may be extended in one-year blocks.
• Published datasets & collections – Immutable copies of datasets with persistent unique identifier (PUI). Datasets may be published independently or as part of a published collection.

Lab Administration

• Principal Investigators (PIs) – PIs in NAN are vetted and act as stewards to data collected by their lab members.
• Projects, Studies, Collections & Funding – Projects are defined at the lab level and provide three-level hierarchy for organizing lab data. Projects allow fine-grained permissions.
• Funding Sources – Funding sources are easily added with auto-population for some funding sources.
• Permissions – Intuitive matrix for controlling lab permissions for current and past users along with collaborators. Lab group defaults allow easy management.
• PI Delegate – PI delegates act on behalf of the PI reducing administrative burden.

Facility Management (viewable by Facility managers and staff)

• Facility Dashboards – Form tools for entering facility, spectrometer, and probe information.
• User management – Tools to add users, map local spectrometer users to NAN users, configure default NDTS harvesting for users.
• Full access to data – Facility managers act as stewards of datasets collected in their facility and have the privileges to view, reassign, and purge data.
• NDTS – Access to download NDTS software and a portal tool for defining NDTS filter settings.

virtual Network Operations Center (vNOC)

• Role-based dashboards with increasing scope:
  • Public View – aggregates data across facilities, instruments, users, and harvested datasets.
  • PI/User View – breaks those metrics down for the lab and individual.
  • Facility/Administrator View – layers on spectrometer uptime, harvesting status, and storage metrics for individual facilities or the whole network, for NAN administrators.

Help & Support

• FAQs – Quick answers to common questions.
• Wiki – Community-editable documentation on the portal and NDTS.
• Support tickets – Submit through the portal or email (support@usnan.org).