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Infrared Library Search on Principal-Component-Analyzed Fourier-Transformed Absorption Spectra

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Abstract:

Fourier-transformed infrared absorption spectra are compressed by principal-component analysis. Searches using the compressed data demonstrate the success of the compression. A search technique utilizing principal components in a prefilter selection produces the most efficient infrared library search method.

Keywords: Computer, applications; Infrared

Document Type: Research Article

DOI: http://dx.doi.org/10.1366/000370287774986930

Affiliations: 1: Department of Chemistry, University of North Carolina, Chapel Hill, North Carolina 27514; present address: Analytical Chemistry Department, General Motors Research Laboratories, Warren, MI 48090 2: Department of Chemistry, University of North Carolina, Chapel Hill, North Carolina 27514; present address: Department of Chemistry and Biochemistry, Utah State University, Logan, UT 84321

Publication date: February 1, 1987

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