Draft Requirements for Molecular Spectroscopy Data Banks—A Discussion Document

Abstract

Computers are used in spectroscopy laboratories throughout the world. However, to avoid needless duplication of work and to maximize the potential of the vast mass of data now available, the stored information must be accessible to all; such data exchange can only be achieved by a certain degree of standardization, both in form, and in volume. As an aid to newcomers and to assist this international exchange of machine-readable data, the International Union of Pure and Applied Chemistry (IUPAC) Commission on Structure and Spectroscopy (1.5) intends to work out guidelines as to the form and volume of data representation in molecular spectroscopy banks.