IQUIR   05412
INSTITUTO DE QUIMICA ROSARIO
Unidad Ejecutora - UE
capítulos de libros
Título:
Validation and error
Autor/es:
ALEJANDRO CESAR OLIVIERI; NICHOLAS FABER,
Libro:
Comprehensive Chemometrics
Editorial:
Elsevier
Referencias:
Lugar: Amsterdam; Año: 2009; p. 91 - 120
Resumen:
The estimation of prediction uncertainties and figures of merit for first- and higher-order multivariate calibration methods are discussed. Starting from a classification of multivariate data, instruments and algorithms, error propagation is qualitatively employed to discuss the estimation of standard errors of prediction, as a natural extension of the well-known univariate estimates. Figures of merit such as sensitivity and selectivity are discussed on the basis of the so-called net analyte signal concept, which allows to generalize the definitions both in the first- and second-order domain. In the latter case, the expressions cover all possible calibration cases, whether the so-called second-order advantage is achieved or not. Other figures of merit (limit of detection, limit of discrimination, limit of quantification, etc.) are also discussed. Finally, method validation and estimation of analytical properties relevant for validation of multivariate methods will be reviewed, with emphasis on accuracy and precision studies.