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Thermo Fisher Scientific

ISN 0027 - Augmenting a CLS Method to Compensate for FT-NIR Spectral Features Related to Changes in Sampling Vials


Low cost, disposable culture tubes are often used for the rapid analysis of liquid samples by Fourier transform near-infrared (FT-NIR) spectroscopy. An evaluation of tubes from two suppliers revealed significant differences in the FT-NIR spectra obtained from the empty tubes. A new quantitative analysis technique developed at Sandia National Laboratory provides a simple way to augment a classical least squares (CLS) with a principal component regression method to compensate for spectral variance not accounted for in the original standards. This augmented classical least squares (ACLS) technique should also prove valuable for creating robust methods for transfer among multiple instruments.