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Thomas, C.W. and Aitchison, J.

Thomas, C.W. and Aitchison, J.

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68. Can we identify possible compositional processes from the limestone data?<strong>Aitchison</strong> <strong>and</strong> <strong>Thomas</strong> (1998) explained how modern compositional data analysiscould be used to investigate identify <strong>and</strong> analyse possible compositional processes,using two simple examples: Arctic lake sediments to identify the process in relation todepth <strong>and</strong> simple olivine data to identify possible equilibrium relationships. Thestatistical technique used depended largely on compositional regression analysis <strong>and</strong>logcontrast principal component analysis. In a complementary paper <strong>Aitchison</strong> <strong>and</strong>Barceló-Vidal (2002) used compositional singular value decompositions to provide astaying-in-the-simplex approach where the compositions of the data set are expressedas power-perturbation combinations. Thus for an N × D compositional data matrixwith nth row the composition x nthe singular value composition provides theexpressionx = ξ$ ⊕ ( u1p1 ⊗ b1 ) ⊕ . .. ⊕ ( u p ⊗ b ) ,n n nR R Rwhere ξ $ is the estimate of the centre of the data set, <strong>and</strong> pi ( i = 1 , . . . , R)are positive‘singular values’ in descending order of magnitude, the bi ( i = 1 , . . . , R)areorthogonal compositions, R is a readily defined rank of the compositional data set <strong>and</strong>the u’s are power components specific to each composition. . In practice R iscommonly D − 1, the full dimension of the simplex. In a way similar to that for dataDsets in R we may consider an approximation of order r < R to the compositionaldata set given bySuch an approximation retains a proportionx ( r ) = $ ⊕ ( u p ⊗ b ) ⊕ . .. ⊕ ( u p ⊗ b ).nξn1 1 1nr r r2 2 2 2( p + .. . + p ) / ( p + . .. + p )1rof the total variability of the N × D compositional data matrix as measured by thetrace of the estimated centered logratio covariance matrix or equivalently in terms ofthe total mutual squared distances as−1 2{ N ( N − 1)} ∆ ( x , x ).D∑m

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