General

The initiative for primary bio-NMR open research data (NMRprime) was developed within the BioNMR group at ETH Zurich as part of the Open Research Data Program of the ETH Board. The primary goal of this project is to provide a public resource for easy publication of protein NMR primary data, with a focus on spectra. Further information can be found on our "About NMRprime" page.

Entries & files

One NMRprime entry represents a single measured system. Each entry is annotated with metadata and contains multiple files, which can be separated into three categories:

• Spectra: measured NMR spectra, automatically converted between common formats, with the option to additionally include raw FID data along with processing scripts
• Peak lists: plain-text descriptions of extracted peaks
• General files: additional data that may help to clarify features of the entry (structures, chemical shift lists, distance restraints etc.)

Each file is annotated with additional metadata. An entry's files can either be downloaded together from the entry's "Files" page, or downloaded individually from the page for each file. Please see our guide on file formats for further details on which data can be uploaded to/downloaded from NMRprime.

Common examples

These examples for usage of NMRprime aim to further illustrate the separation between database entries.

• Structure determination: For protein structure determination, a number of spectra are measured using the same protein, however some factors may differ between spectra (e.g. experiment type, labelling, spectrometer). In this case, all measured spectra should be contained within one entry. Additional files can optionally be added to provide further information, as described above.
• NMR titration: During an NMR titration, the concentration of a ligand is varied while all other conditions are kept constant. This case can also be registered within a single entry, with the varying ligand concentration described in the "Notes" for each spectrum.
• Ligand screening: Screening experiments involve measurement of a number of different protein-ligand systems, usually under identical conditions. However, due to the changing ligands, one entry must be created per protein-ligand pair. To facilitate this process, it is possible to copy metadata from an existing entry during the creation process.

Browsing

All public entries in the NMRprime database can be accessed freely via this website. Please see our Terms & Conditions for information on reuse of data from NMRprime.

Our "Browse" page offers web-based access to the contents of the database. Alongside listing the most recently published entries and choosing a single entry at random, the search form can be used to find any available entry (see guide on searching).

Entry creation

In order to create an entry on NMRprime, you must first register an account (see guide on account registration). Once logged in successfully, the "Create entry" page allows selection of a name for the new entry (this can be changed later), as well as input of the entry's sequence and macromolecular composition (this cannot be changed). Once the entry has been created successfully, metadata and files can be added. Please see our Terms & Conditions for details on how this data is handled. During the editing process, an entry is only visible to its creator, however an entry can be committed to create a privately shareable, fixed checkpoint of its progress (see guide on NMRprime's versioning system). Once an entry is ready for publication, it then becomes visible to all users.