GUIDELINES ON NUCLEAR-MAGNETIC-RESONANCE COMPUTERIZED DATABASES - (IUPAC RECOMMENDATIONS 1995)

With the widespread use and availability of computers for the acquisit ion and storage of nuclear magnetic resonance spectra, particularly pr oton and carbon spectra, it is clear that assembly and distribution of computer-readable nmr databases is highly desirable. To maximize the utility of such efforts, it is desirable to define a standardized form at for information exchange and guidelines for information to be inclu ded in such databases. An equally important concern is the need for nm r databases (indeed, all spectral databases) to include information wh ich will allow users to determine the quality of the spectra In 1984, at a workshop on the subject of computerized data bases held in the Un ited States at the National Bureau of Standards (now the National Inst itute of Standards and Technology), it was concluded that a consensus body, such as the IUPAC, should organize and establish recommendations for such databases. As one result of that recommendation, a ''Working Party on NMR Computerized Databases'' was established, with the charg e of producing recommendations of guidelines for such databases. The p resent document is the result of the working party's efforts, is the c onsensus of its members, and constitutes the recommendation of the wor king party.