Journal of Analytical Chemistry

, Volume 61, Issue 10, pp 952–966 | Cite as

Construction of a multivariate calibration by the simple interval calculation method

  • A. L. Pomerantsev
  • O. Ye. Rodionova
Articles

Abstract

Simple interval calculation is a method for linear modeling and for constructing interval estimates of predictions in a multivariate calibration. Simple interval calculation gives results in a convenient interval form with regard to all the existing uncertainties: measurement errors of predictors and responses, discrepancies of bilinear modeling, and so on. In addition, the simple interval calculation method opens new opportunities for constructing an informative classification of object significance. The method is based on only the assumption of the error boundedness; it uses linear programming algorithms for data analysis. This approach differs substantially from the conventional regression methods used in chemometrics and, therefore, is poorly understood by analysts. This paper gives an elementary explanation of the simple interval calculation method illustrated by the simplest model and real examples.

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Copyright information

© Pleiades Publishing, Inc. 2006

Authors and Affiliations

  • A. L. Pomerantsev
    • 1
  • O. Ye. Rodionova
    • 1
  1. 1.Semenov Institute of Chemical PhysicsRussian Academy of SciencesMoscowRussia

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