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Chemometrics and near-infrared spectroscopy: Avoiding the pitfalls
Journal article   Peer reviewed

Chemometrics and near-infrared spectroscopy: Avoiding the pitfalls

Gary W Small
TrAC, Trends in analytical chemistry (Regular ed.), Vol.25(11), pp.1057-1066
2006
DOI: 10.1016/j.trac.2006.09.004

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Abstract

The use of chemometrics in quantitative near-infrared (NIR) spectroscopy is reviewed from the standpoint of avoiding pitfalls that may lead to misleading or overly optimistic results. Using the NIR analysis of glucose in six-component mixture samples as an example, a set of guidelines is presented to help the analyst develop and implement a successful calibration.
Glucose Multivariate calibration Near-infrared Net analyte signal NIR Partial least-squares PLS

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