Computer-Supported Spectroscopic Databases - Ellis Horwood Series in Analytical Chemistry.

This work presents the main ideas and methods for handling spectroscopic data from a wide range of practising spectroscopists who use computers in many different laboratories throughout the world. It contains practical solutions for everyday problems, offering an overview of computer-supported databases in this subject area.;Networking of software for structure elucidation is examined and the importance of quality control and quality evaluation are highlighted. The book focuses both on the quality of the data available, the search for better and more flexible methods of handling single- and multi-spectroscopy data, as well as on the manipulation of spectroscopic data, chemical structures, correlations between the two, and other sources of information, eg images and lists.;Each section, covering such topics as coding spectra types, organization of databases and their information systems, includes an explanation of the handling and use of information and describes a topical new concept of hierarchical clustering for handling large amounts of spectra data.