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Adaptable multivariate calibration models for spectral applications

Thomas1

  • 1Sandia National Laboratories, Albuquerque, New Mexico 87185-0829, USA.

Analytical Chemistry
|July 25, 2000
PubMed
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Developing a generic intraobject model offers an effective alternative for multivariate calibration when interobject spectral variation is complex. This approach adapts a single model to individual objects for accurate analyte prediction, as demonstrated with near-infrared spectroscopy for glucose monitoring.

Area of Science:

  • Analytical Chemistry
  • Spectroscopy
  • Chemometrics

Background:

  • Multivariate calibration is widely used in spectroscopy.
  • Spectral variation can often be separated into intraobject and interobject components.
  • Global models struggle with complex interobject variation.

Purpose of the Study:

  • To propose an alternative approach for multivariate calibration when interobject variation is complex.
  • To develop a generic intraobject model adaptable to individual objects.
  • To provide recommendations for experimental design and data analysis.

Main Methods:

  • Partitioning spectral variation into intraobject and interobject sources.
  • Developing a generic intraobject model.
  • Adapting the model to individual objects.

Related Experiment Videos

  • Illustrating the approach with near-infrared reflectance spectroscopy for glucose measurement.

    • Main Results:

    • A generic intraobject model can be effectively adapted to individual objects.
    • This approach addresses challenges posed by complex interobject spectral variation.
    • The method shows promise for noninvasive glucose monitoring.

    Conclusions:

    • A generic intraobject model is a viable alternative to global models for complex spectral data.
    • The proposed method facilitates accurate analyte prediction within and across objects.
    • Recommendations are provided for calibration maintenance and transfer.