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  • 1
    Electronic Resource
    Electronic Resource
    Multivariate calibration when data are split into subsets (1991)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 5 (1991), S. 487-501 
    Details
    ISSN: 0886-9383
    Keywords: Calibration ; Locally linear models ; Discrimination ; Optimality ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: A calibration situation is considered where the calibration data are split into subsets with good linear relationship between y and x within each group. Different strategies for good prediction in this case are proposed. Modifications for collinear data are considered and a simple simulated data set is used for illustration.
    Additional Material: 5 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cem.1180050603
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    Paper (German National Licenses)
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  • 2
    Electronic Resource
    Electronic Resource
    Detecting and adjusting for non-linearities in calibration of near-infrared data using principal components (1993)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 7 (1993), S. 195-212 
    Details
    ISSN: 0886-9383
    Keywords: Calibration ; Non-linearity ; Principal components ; Stein estimate ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: A new regression method for non-linear near-infrared spectroscopic data is proposed. The technique is based on a model which is linear in the principal components and simple functions (squares and products) of them. Added variable plots are used to determine which squares and products to incorporate into the model. The regression coefficients are estimated by a Stein estimate which shrinks towards the estimate determined by the first several principal components and the selected non-linear terms. The technique is not computationally intensive and is appropriate for routine predictions of chemical concentrations. The method is tested on three data sets and in all cases gives more accurate predictions than does linear principal components regression.
    Additional Material: 8 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cem.1180070306
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    Paper (German National Licenses)
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  • 3
    Electronic Resource
    Electronic Resource
    A graphical technique for assessing differences among a set of rankings (1994)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 8 (1994), S. 81-93 
    Details
    ISSN: 0886-9383
    Keywords: Sensory evaluation ; Cumulative ranks ; Assessor variation ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: A graphical method of assessing differences between sets of rankings based on cumulative ranks is developed. The method can be used to identify rankings that differ over all or just part of the range of objects ranked. The method is applied to an example of sensory evaluation of green peas in which ten assessors scored six attributes on each of 60 samples.
    Additional Material: 4 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cem.1180080108
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    Paper (German National Licenses)
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  • 4
    Electronic Resource
    Electronic Resource
    Splitting of calibration data by cluster analysis (1991)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 5 (1991), S. 49-65 
    Details
    ISSN: 0886-9383
    Keywords: Calibration ; Cluster analysis ; Local linearity ; Mahalanobis distance ; Residual distance ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The topic of the present paper is the splitting of calibration data into subgroups with improved linearity in each group. The method proposed is based on a criterion which is a weighted average of a Mahalanobis distance and a squared regression residual. The algorithm used to find the solution is based on fuzzy clustering. Two examples are given to illustrate the theory.
    Additional Material: 10 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cem.1180050106
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    Paper (German National Licenses)
    Fulltext
  • 5
    Electronic Resource
    Electronic Resource
    Identifying significant effects in fractional factorial experiments (1994)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 8 (1994), S. 205-219 
    Details
    ISSN: 0886-9383
    Keywords: Fractional factorial design ; Significant effects ; ANOVA ; Probability plotting ; Bayes plot ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: This paper presents a method for identifying significant effects in fractional factorial designs. The method is based on comparing functions of the estimated effects with a scale invariant reference distribution. The method is illustrated and compared with alternative techniques on a dataset from processed cheese production. The method corresponded well to other methods (probability plotting and Bayes plot) that do not make use of error estimates. These methods were better than F-tests with few (two or four) degrees of freedom for error.
    Additional Material: 2 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cem.1180080304
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    Paper (German National Licenses)
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  • 6
    Electronic Resource
    Electronic Resource
    Mathematical analysis of spectral orthogonality, John H. Kalivas and Patrick M. Lang, Marcel Dekker, New York, 1993, ISBN 0-8247-9155-X, 344 pp., $145.00 (1994)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 8 (1994), S. 445-446 
    Details
    ISSN: 0886-9383
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cem.1180080609
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    Paper (German National Licenses)
    Fulltext
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