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  • 1
    Electronic Resource
    Electronic Resource
    The performance of least squares and robust regression in the calibration of analytical methods under non-normal noise distributions (1989)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 3 (1989), S. 329-342 
    Details
    ISSN: 0886-9383
    Keywords: Calibration ; Robust regression ; Iteratively reweighted least squares ; M-estimator ; Monte Carlo simulations ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: By means of Monte Carlo simulations a comparison has been made between ordinary least squares regression and robust regression. The robust regression procedure is based on the Huber estimate and is computed by means of the iteratively reweighted least squares algorithm. The performance of both procedures has been evaluated for estimation of the parameters of a calibration function and for determination of the concentration of unknown samples. The influence of the distributional characteristics skewness and kurtosis has been studied, and the number of measurements used for constructing the calibration curve has also been taken into account. Under certain conditions robust regression offers an advantage over least squares regression.
    Additional Material: 6 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cem.1180030203
    Library Location Call Number Volume/Issue/Year Availability
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    Paper (German National Licenses)
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  • 2
    Electronic Resource
    Electronic Resource
    The construction of simultaneous optimal experimental designs for several polynomials in the calibration of analytical methods (1990)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 4 (1990), S. 171-185 
    Details
    ISSN: 0886-9383
    Keywords: Calibration ; Polynomial regression ; D-optimality ; Experimental design ; Model discrimination ; Lack of fit ; Least squares regression ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: In this paper a criterion is described for the construction of experimental designs for the evaluation of calibration models in analytical chemistry. The proposed criterion seeks a compromise between the D-optimal designs for estimating the parameters of different polynomial models. A computer algorithm is presented for a sequential construction of experimental designs using the optimality criterion. The performance of the optimality criterion and the computer algorithm is elaborated for the problem of discrimination between a first- to a third-degree polynomial for the calibration of analytical methods. An experimental design consisting of replicate measurements at five distinct levels equally spaced over the calibration range proved a good solution.
    Additional Material: 6 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cem.1180040208
    Library Location Call Number Volume/Issue/Year Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
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