Knowledgebase Datasets

NAN Knowledgebases

• Knowledgebase Overview
  • Novice Knowledgebases
  • Knowledgebase Datasets
  • Materials Periodic Table

Overview

Knowledgebase Datasets

Knowledgebase (KB) Datasets are exemplar experimental datasets collected on test samples at high- and ultra-high magnetic fields. Each dataset provides a vetted pulse program along with all required files to reproduce the experiment and adapt it to other instruments or research samples.

Contents of a KB Dataset

• Pulse programs
• Parameter files
• Waveform files
• Time-domain data
• Sample metadata
• Protocols
  • Sample preparation
  • Instrument setup
  • Experiment setup
  • Data processing
  • Data analysis
• Processing scripts
• Processed data

Access

KB Datasets are publicly available to all users, whether logged in or not, from the NAN Dataset Browser.

KB Dataset Navigation

• For non-authenticated users: navigate to Public Datasets from the Resource Connector. Then select Knowledgebase Datasets from the left-hand navigation bar.
• For authenticated users: navigate to Data Browsers → Datasets, then select Knowledgebase Datasets from the left-hand navigation bar.

Datasets may be explored from the Dataset Browser and downloaded via the context menu (right mouse click).

Sorting and Filtering

Columns in the Dataset Browser are sortable. Authenticated users may customize which columns are shown; non-authenticated users are presented with a standard set.

You may also filter on the KB column from the All Datasets or All Public Datasets views to locate KB Datasets.

Navigation

KB Datasets are grouped into four main categories:

• Bio Solids
• Materials Solids
• Bio Solution
• Metabolomics

Each category is subdivided up to two additional levels. Selecting a higher-level entry in the hierarchy displays all datasets beneath it, enabling intuitive exploration.

KB Names	Category	Sub-Categories
Bio Solids	Assignment	Basic 1D Experiments Resolution Enhancement Homonuclear Heteronuclear
	Structure	Distance restraints
	Dynamics	15N Relaxation 2H quadrupolar line shape
Material Solids	High-Gamma	Basic 1D Experiments Resolution Enhancement Homonuclear Heteronuclear
	Spin-1/2	Basic 1D Experiments Resolution Enhancement Homonuclear Heteronuclear
	Quadrupolar	Basic 1D Experiments Resolution Enhancement Homonuclear Heteronuclear
Bio Solution	Assignment & NOE	1D, 2D 3D Sidechain, U-CN 3D Backbone, U-CN 3D Backbone, U-DCN 3D NOESY-HSQC 3D, 4D methyl-NOESY
	13C, 15N Detection	2D 13C-detected 3D 13C-detected 2D 15N-detected 3D 15N-detected
	RDC Measurement	H-N RDC H-C RDC
	Backbone Dynamics & Relaxation	15N T1/T2/HNOE HSQC 15N T1/T2/HNOE TROSY
Metabolomics	Profiling	1H-1D 1H-2D 13C-1D 13C-2D
	Compound ID	1H-2D 13C-2D