Calibration Transfer and Measurement Stability of Near-Infrared Spectrometers

Abstract

Near-infrared (NIR) spectroscopy has been widely accepted as a quantitative technique in which multivariate calibration plays an important role. The application of NIR to process analysis, however, has been largely limited by a problem identified as calibration transfer, the attempt to transfer a well-established calibration model from one instrument (e.g., located in the central laboratory) to another instrument of the same type (e.g., located on an industrial process). A calibration transfer method called piecewise direct standardization (PDS) is applied to a set of gasoline samples measured on two different NIR spectrometers. On the basis of the measurement of a small set of transfer samples on both instruments, a structured transformation matrix can be determined and applied to transform spectra between two instruments, enabling the transfer of calibration models. The effect of spectrum preprocessing on standardization is studied with the use of a set of gasoline samples. In a separate study, the day-to-day instrument variation as observed from the change in the polystyrene spectrum is related to the prediction of moisture, oil, protein, and starch content in corn samples, and then the possibility of using such generic standards to replace real samples in a transfer set is explored. In all cases, a standard error for prediction comparable to full set cross-validation is obtained through standardization.