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Spectral code index (SPECOIND): A general infrared spectral database search method


Li, J and Fan, B and Doucet, JP and Panaye, A, Spectral code index (SPECOIND): A general infrared spectral database search method, Applied Spectroscopy, 57, (7) pp. 858-867. ISSN 0003-7028 (2003) [Refereed Article]

DOI: doi:10.1366/000370203322102960


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.

Item Details

Item Type:Refereed Article
Research Division:Chemical Sciences
Research Group:Analytical chemistry
Research Field:Separation science
Objective Division:Expanding Knowledge
Objective Group:Expanding knowledge
Objective Field:Expanding knowledge in the chemical sciences
UTAS Author:Li, J (Dr Jianfeng Li)
ID Code:54665
Year Published:2003
Web of Science® Times Cited:4
Deposited By:Austn Centre for Research in Separation Science
Deposited On:2009-02-26
Last Modified:2009-02-26

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