Closure Effects on Infrared Spectral Library Search Performance

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Abstract:

Closure is caused by normalization of a data set, and it affects any multivariate analytical method applied to that data set. Two common methods of normalizing infrared spectra (IR), to unit maximum absorbance and to unit vector length, are evaluated by measurement of library search performance. Search performance is evaluated, by the use of the Quantitative Reliability Metric (QRM), as a function of noise frequency and noise level.

Keywords: Computer, applications; Infrared; Library search

Document Type: Research Article

DOI: http://dx.doi.org/10.1366/0003702874447149

Affiliations: 1: Department of Chemistry and Geochemistry, Colorado School of Mines, Golden, Colorado 80401 2: Department of Chemistry, Willard Hall, Kansas State University, Manhattan, Kansas 66506

Publication date: November 1, 1987

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