About this Chemistry article
Assuring specificity for a multivariate near-infrared (NIR) calibration: The example of the Chambersburg Shoot-out 2002 data set by Karl H. Norris; Gary E. Ritchie is a Chemistry article available to read on EtoBox.
A method for demonstrating specificity has been developed for NIR calibrations involving the use of partial least squares (PLS) regressions. The method is demonstrated with near-infrared transmittance data on pharmaceutical tablets. A regression was performed with PLS and the first principal component spectrum is shown to match the spectrum of the active ingredient as well as a spectrum extracted from the original file. A good match demonstrates that the calibration is specific for the active component. The effects on the match for different pretreatments were evaluated.
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- Author
- Karl H. Norris; Gary E. Ritchie
- Publisher
- Elsevier Science; Elsevier ; Elsevier BV (ISSN 0731-7085)
- Published
- 2008
- Language
- EN
- Field
- Chemistry (Physical Sciences)