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Chemometric exploration of sea water chemical component data sets with missing elements

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Warianty tytułu
Języki publikacji
EN
Abstrakty
EN
The results of the application of chemometric methods, such as principal component analysis (PCA) and its generalization for N-way data, the Tucker3 model, for the analysis of an environmental data set are presented. The analyzed data consists of concentration values of chemical compounds of organic matter, and their transformed products, in a short-term study of a sea water column measured at the Gdańsk Deep (.[fi]= 55°1’N, [lambda] = 19°10’E). The main goal of this paper is to present improved approaches for exploration of data sets with missing elements, based on the expectation-maximization (EM) algorithm. The most common methods for dealing with missing data, generally consisting of setting the missing elements to zero or to mean values of the measured data, are often unacceptable as they destroy data correlations or influence interpretation of relationships between objects and variables. The EM algorithm may be built into different computational procedures used for exploratory analysis (i.e. EM/PCA or EM/TUCKER3).
Rocznik
Strony
49--62
Opis fizyczny
bibliogr. 31 poz., tab., wykr.
Twórcy
autor
Bibliografia
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  • Daszykowski M., Walczak B., Massart D.L., 2003, Projection methods in chemistry, Chemometrics and Intelligent Laboratory Systems, 65: 97-112
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  • Grasshoff K., 1976a, Determination of oxygen. [in:] Methods of Seawater Analysis, Eds. Grasshoff K., Verlag Chemie, Weinheim, pp. 59-71
  • Grasshoff K., 1976b, Determination of nitrite. [in:] Methods of Seawater Analysis, Eds. Grasshoff K., Verlag Chemie, Weinheim, pp. 134-137
  • Grasshoff K., 1976c, Determination of nitrate. [in:] Methods of Seawater Analysis, Eds. Grasshoff K., Verlag Chemie, Weinheim, pp. 137-145
  • Joliffe I.T., 1986, Principal Components Analysis, New York, Springer (257)
  • Koroleff F., 1976a, Simultaneous oxidation of nitrogen and phosphorus compounds by persulphate. [in:] Methods of seawater Analysis, Eds. Grashoff K., Verlag Chemie, Weinheim, pp. 168-169
  • Koroleff F., 1976b, Determination of phosphorus. [in:] Methods of seawater Analysis, Eds. Grashoff K., Verlag Chemie, Weinheim, pp. 117-123
  • Koroleff F., 1976c, Determination of ammonia. [in:] Methods of seawater Analysis, Grashoff K., Verlag Chemie, Weinheim, pp. 126-133
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  • Little R.J.A., Rubin D.B., 1987, Statistical analysis with missing data, New York, John Wiley and Sons, pp.278
  • McLaachlan G.J. & Krishnan T., 1997, The EM Algorithm and Extensions, New York, John Wiley & Sons, pp. 274
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  • Pryputniewicz D., 2007, The role of the sea water's boundary layers in the transformation of matter (Gdańsk Deep), PhD thesis, University of Gdańsk, Gdynia, 200, (in Polish)
  • Smoliński A., Walczak B., 2002, Exploratory analysis of chromatographic data-sets with missing elements. Initialization of the expectation-maximization algorithm, Acta Chromatographica, 12: 30-48
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  • Tucker L.R., 1963, Implications of factor analysis of three-way matrices for measurement of change. [in:] Problems in measuring change, Eds. Harris C.W., Madison, University of Wisconsin Press, pp. 122-137
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  • Walczak B., Massart D.L., 2001b, Dealing with missing data. Part 2, Chemometrics and Intelligent Laboratory Systems, 58: 29-42
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  • Yates F., 1933, The analysis of replicated experiments when the field results are incomplete, The Empire Journal of Experimental Agriculture, 1: 129-142
Typ dokumentu
Bibliografia
Identyfikator YADDA
bwmeta1.element.baztech-article-BUS5-0015-0020
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