NMR Structure Presentation Standards for Proteins and Nucleic Acids
by John L. Markley / University of Wisconsin–Madison
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Description
IUPAC-IUBMB-IUPAB inter-union recommendations for unified nomenclature and reporting standards in biomolecular NMR spectroscopy. The document, authored by John L. Markley of the University of Wisconsin–Madison, was critically examined by more than 50 specialists and underwent two rounds of extensive modification. It aims to support easier communication of NMR data and structures, with a focus on storing information in computer-accessible, standardized formats for the scientific community.
Use Cases
Developing data validation tools based on the recommended unified nomenclature and reporting standards.
Training NLP models to parse and extract structured information from NMR-related journal articles based on the described reporting conventions.
Creating standardized data exchange formats for NMR structure databases based on the recommendations for computer-accessible storage.
Benchmarking the completeness of published NMR structure data against the established reporting criteria.
Strengths
Recommendations stem from a formal IUPAC-IUBMB-IUPAB inter-union venture with involvement from ICSU and CODATA.
Drafts were examined critically by more than 50 specialists in the field of biomolecular NMR spectroscopy.
The document underwent two rounds of extensive modification to incorporate suggestions and criticisms.
Limitations
Row count is unknown, which may limit suitability assessment.
Column-level documentation is absent; field semantics must be inferred after download.
Last update date is unknown; freshness unverified.
Provenance
Source
IUPAC-IUBMB-IUPAB inter-union Task Group, authored by John L. Markley (University of Wisconsin–Madison).
Collection Method
Formal recommendations developed by a task group, reviewing previous standards and extending them based on recent developments.
Time Range
Time range of the recommendations is not specified.
Freshness
Last updated date is unknown.
Geography
Geographic scope is not specified; the recommendations are intended for the international scientific community.