1. Scope

1.1 This practice covers requirements for the validation of empirically derived calibrations (Note 1) such as calibrations derived by Multiple Linear Regression (MLR), Principal Component Regression (PCR), Partial Least Squares (PLS), Artificial Neural Networks (ANN), or any other empirical calibration technique whereby a relationship is postulated between a set of variables measured for a given sample under test and one or more physical, chemical, quality, or membership properties applicable to that sample.

Note 1Empirically derived calibrations are sometimes referred to as models or calibrations. In the following text, for conciseness, the term calibration may be used instead of the full name of the procedure.

1.2 This practice does not cover procedures for establishing said postulated relationship.

1.3 This practice serves as an overview of techniques used to verify the applicability of an empirically derived multivariate calibration to the measurement of a sample under test and to verify equivalence between the properties calculated from the empirically derived multivariate calibration and the results of an accepted reference method of measurement to within control limits established for the prespecified statistical confidence level.

1.4 This standard does not purport to address all of the safety concerns, if any, associated with its use. It is the responsibility of the user of this standard to establish appropriate safety and health practices and determine the applicability of regulatory limitations prior to use.

2. Referenced Documents (purchase separately) The documents listed below are referenced within the subject standard but are not provided as part of the standard.

ASTM Standards

E131 Terminology Relating to Molecular Spectroscopy

E1655 Practices for Infrared Multivariate Quantitative Analysis

E1790 Practice for Near Infrared Qualitative Analysis

Keywords

calibrations; empirically derived multivariate calibrations; validation; Calibration; MLR (multilinear regression); Multivariate analyses; PCR (principal components regression); PLS (partial least squares) regression; Validation ;

ICS Code

ICS Number Code 17.020 (Metrology and measurement in general)

DOI: 10.1520/E2617-08AE01

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