FAIR

This page outlines how nmrshiftdb2 complies with the FAIR critieria. Actually, nmrshiftdb2 has been FAIR from start and was FAIR even before the term was coined.

FINDABLE:

• F1. (meta)data are assigned a globally unique and eternally persistent identifier.
  All data and metadata in nmrshiftdb2 are assigned a unique identifier. This is true for spectra, molecules, and collections. This identifier is searchable within the database and associated with all data in the online database. Furthermore, the identifier is associated with all data downloadable from the database. E. g. https://nmrshiftdb.nmr.uni-koeln.de/molecule/80039369 (molecule), https://nmrshiftdb.nmr.uni-koeln.de/portal/js_pane/P-Results/nmrshiftdbaction/showDetailsFromHome/molNumber/spectrum:80123983 (spectrum), https://nmrshiftdb.nmr.uni-koeln.de/collection/ChiuZ (collection)
• F2. data are described with rich metadata.
  All data in nmrshiftdb2 are described with experimental metadata. Structural metadata is given where appropriate, including links via Unichem.
• F3. (meta)data are registered or indexed in a searchable resource.
  All the data and metadata in nmrshiftdb2 is indexed, viewable and registered through the nmrshiftdb2 online database at www.nmrshiftdb.org
• F4. metadata specify the data identifier.
  The database structure links all data to molecules and spectra and their identifiers.

ACCESSIBLE:

• A1 (meta)data are retrievable by their identifier using a standardized communications protocol.
  All data and metadata in nmrshiftdb2 are retrievable using their identifier from www.nmrshiftdb.org. The download at https://sourceforge.net/projects/nmrshiftdb2/files/data/ offers all data in a variety of formats.
• A1.1 the protocol is open, free, and universally implementable.
  The nmrshiftdb2 website is open and free and its data download operation is compatible with all modern web browsers. The download formats include CML and NMReDATA, which are text formats and easily readable.
• A1.2 the protocol allows for an authentication and authorization procedure, where necessary.
  No authentication or authorization is required to access or download the nmrshiftdb2 data. Authorization is required to upload data to the nmrshiftdb2.
• A2 metadata are accessible, even when the data are no longer available.
  The download is from sourceforge and independent from the website. Archiving of these data can happen by anybody.

INTEROPERABLE:

• I1. (meta)data use a formal, accessible, shared, and broadly applicable language for knowledge representation.
  All textual data and metadata in nmrshiftdb2 are written in English and all spectral data is in a transparent format. The database itself is not bound to a format, but a relational set of data which can be converted to any format required.
• I2. (meta)data use vocabularies that follow FAIR principles.
  Ontologies and vocabularies that are open, findable, accessible, interoperable and re-usable are used where possible. We do not claim this to be "true" "everywhere" simply because there is no agreement on NMR vocabulary right now and therefore, there is no such thing as a perfectly FAIR vocabulary.
• I3. (meta)data include qualified references to other (meta)data.
  All data and metadata in nmrshiftdb2 are referenced with detailed descriptions of their provenance and sources. Unichem offers the widest possible, automatic linking to outside sources.

RE-USABLE:

• R1. meta(data) have a plurality of accurate and relevant attributes.
  All data and metadata deposited in nmrshiftdb2 have been reviewed and checked using software. Linking via unichem ensures up-to-date links.
• R1.1. (meta)data are released with a clear and accessible data usage license.
  The license is available at https://nmrshiftdb.nmr.uni-koeln.de/License.txt
• R1.2. (meta)data are associated with their provenance.
  Data have provenance given as much as possible.
• R1.3. (meta)data meet domain-relevant community standards.
  nmrshiftdb2 has been involved in many standards, e. g. NMReDATA,and uses those standards.