- Author
- Griffiths, P. R.
- Title
- Expert Systems Approach for Spectra-Structure Correlation for Vapor Phase Infrared Spectra.
- Coporate
- Idaho Univ., Moscow
- Sponsor
- National Institute of Standards and Technology, Gaithersburg, MD
- Report
- NIST GCR 91-587, March 1991, 82 p.
- Distribution
- Available from National Technical Information Service
- Keywords
- expert systems | infrared spectrometers | FT-IR
- Abstract
- Identification of unknown gas species can be done-at lease approximately-by infrared spectrometric measurements alone, without separtion (that is, without gas chromatography) if a sufficiently robust set of algorithms can be developed for automatic search and identification procedures. The PAIRS computer program is an example of such an automated approach. Existing programs, such as PAIRS, however, do not have the ability of identifying a sufficiently large number of gas species to find regular use in areas such as toxicity of fire gases. For such purposes, it was necessary to develop a more comprehensive approach, one which could include every commonly exptecte functionality. The present report describes the first stage of such development. The solution taken is based on principal components analysis. The report documents the initial development done on this topic.