Accession Number : ADA139262

Title :   A New Method for Obtaining Individual Component Spectra from Those of Complex Mixtures.

Descriptive Note : Interim technical rept.,


Personal Author(s) : Honigs,D E ; Hieftje,G M

PDF Url : ADA139262

Report Date : 10 Mar 1984

Pagination or Media Count : 28

Abstract : In Near-Infrared Reflectance Analysis (NIRA), a computer is trained to recognize and quantitate the relationship between the near-infrared spectrum of a sample and the concentrations of one or more of the sample constituents. During this training process the computer implicitly generates the spectrum of the constituents in question although this spectrum is ordinarily not available for operator inspection. In the present study, a method for displaying this implicit information is developed and evaluated. The resulting reconstructed spectrum can be of a specific chemical constituent in a sample or can be a composite spectrum of those components that collectively contribute to specific sample properties such as material strength, processing temperature or to sensory characteristics such as the hotness of peppers. A comparison is made of this new spectral reconstruction technique to established methods such as spectral stripping and factor analysis. (Author)

Descriptors :   *Spectrum analysis, *Near infrared radiation, *Reflectance, *Analytical chemistry, *Computer applications, Infrared spectra, Test methods, Signal processing, Chemical compounds, Sampling, Linear regression analysis, Algorithms, Frequency, Coefficients, Predictions, Chemical composition, Correlation techniques, Absorption spectra, Hydrocarbons, Mixtures

Subject Categories : Atomic and Molecular Physics and Spectroscopy

Distribution Statement : APPROVED FOR PUBLIC RELEASE