Nomenclature and defined standards

Experimentally determined standards



Other data formats

IUPAC recommendations

IUPAC Recommendations 1997:
Parameters and Symbols for use in Nuclear Magnetic Resonance
R. K. Harris, J. Kowalewski, and S. C. De Menezes
Pure & Appl. Chem. (1997), 69, 2489-2495, DOI: 10.1351/pac199769122489

IUPAC Recommendations 1998:
Recommendations for the Presentation of NMR Structures of Proteins and Nucleic Acids
J. L. Markley, A. Bax, Y. Arata, C. W. Hilbers, R. Daptein, B. D. Sykes, P. E Wright, and K. Wüthrich
Pure & Appl. Chem. (1998), 70, 117-142, DOI: 10.1351/pac199870010117 (PDF)

IUPAC Recommendations 2001:
NMR nomenclature. Nuclear spin properties and conventions for chemical shifts
R. K. Harris, E. D. Becker, S. M. Cabral de Menezes, R. Goodfellow, and P. Granger
Pure & Appl. Chem. (2001), 73, 1795-1818, DOI: 10.1351/pac200173111795

IUPAC Recommendations 2008:
Further Conventions for NMR Shielding and Chemical Shifts
R. K. Harris, E. D. Becker, S. M. Cabral de Menezes, P. Granger, R. E. Hoffman, and K. W. Zilm
Pure & Appl. Chem. (2008), 80, No. 1, 59-84, DOI: 10.1351/pac200880010059 (PDF)

Publications describing the STAR format

The STAR File: A New Format for Electronic Data Transfer and Archiving
Hall, S. R.
J. Chem. Inf. Comput. Sci. (1991), 31, 326-333

The STAR File: Detailed Specifications
Hall, S. R. and Spadaccini, N.
J. Chem. Inf. Comput. Sci. (1994), 34, 505-508, 1994

STAR Dictionary Definition Language: Initial Specification
Hall, S. R. and Cook, A. P. F.
J. Chem. Inf. Comput. Sci. (1995), 35, 819-825

The Molecular Information File (MIF): Core Specifications of a New Standard Format for Chemical Data
Allen, F. H., Barnard, J. M., Cook, A. P. F., and Hall, S. R.
J. Chem. Inf. Comput. Sci. (1995), 35, 412-427

Extensions to the STAR File Syntax
Spadaccini, N. and Hall, S. R.
J. Chem. Inf. Model. (2012), 52 (8), 1901-1906, DOI: 10.1021/ci300074v

Publication describing semantic extension of the NMR-STAR data

Publication of nuclear magnetic resonance experimental data with semantic web technology and the application thereof to biomedical research of proteins
Yokochi, M., Kobayashi, N., Ulrich, E. L., Kinjo, A. R., Iwata, T., Ioannidis, Y. E., Linvy, M., Markley, J.L., Nakamura, H., Kojima, C. and Fujiwara, T.
J. Biomed. Semantics (2016), 7, 1-4