Supplemental Data
Supplemental Data
NAN enables users to enrich archived datasets with additional context and information through the use of supplemental data. While NDTS harvests all files present in an experimental dataset—including waveform files, pre-compiled pulse programs, and other required components—certain files and metadata relevant to downstream use may not be available at the time of data collection.
These may include:
- Protocols
- Data processing and analysis scripts
- Links to external databases such as BMRB
- Additional experimental metadata
Adding Supplemental Data
Supplemental data may be appended to individual datasets or dataset collections via a dedicated modal launched from the Dataset Editor or the dataset context menu (see Figure 8). Entries in the supplemental data table require the following fields:
- Category
- Type
- Value
- (Optional) Description
Supported types include:
- URLs
- File uploads
- Existing files within the dataset
- External ID numbers
Supported categories include:
- Protocols – Instrument setup, sample preparation, pulse program setup, signal processing, and analysis
- Scripts – Experimental setup, signal processing, and analysis
- Identifiers – BMRB, PDB, Metabolomics Workbench, DOIs
- Data Files – Sample schedules, experimental parameters, pulse programs, processed data, sample parameters
Supplemental entries become part of the dataset record, and any uploaded files are stored in a dedicated `supplemental_data` directory within the dataset. These entries and files are included in the downloadable dataset archive.
Supplemental Data in the Data Browser
- Datasets with supplemental data are marked with a special icon badge.
- A Supplemental Data column in the browser table supports filtering and sorting based on presence of supplemental data.
Integration with NMRbox
NAN and NMRbox share a common data infrastructure, enabling seamless dataset transfers. Users may copy datasets from the NAN browser to their NMRbox home folder using the context menu. These transfers are tracked within the NAN database.
If users generate new files in their NMRbox post-acquisition directory (e.g., processed or analyzed data), they may use the Retrieve Post-Acquisition Data action to append these files back into the corresponding NAN dataset archive as supplemental data.
