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Spectral code index (SPECOIND): A general infrared spectral database search method
journal contributionposted on 2023-05-16, 22:51 authored by Li, J, Fan, B, Doucet, JP, Panaye, A
A new spectral code that can be used by Relational Database Management Systems (RDBMS) as an index for infrared (IR) spectra searches in Relational Database (RDB) is presented and its suitability is evaluated. Spectral codes are constructed for all spectra in the database as the spectral indexes and three query strings are created with the same theory used for the creation of the index code for the query spectrum. Some effects of parameters used to create index strings and query strings are discussed. All spectral searches are accomplished in structured query language (SQL) approach and the utilization examples of SQL have been shown. The sequential application of this procedure can reduce the original library of about 18 000 spectra to a few spectra that can be used as references for subsequent detailed comparison. The software developed for the proposed system is particularly suitable for spectral search and structure interpretation.
Publication titleApplied Spectroscopy
Department/SchoolSchool of Natural Sciences
PublisherSociety for Applied Spectroscopy
Place of publicationUSA