1. Error Propagation in Isometric Log-ratio Coordinates for Compositional Data: Theoretical and Practical Considerations
- Author
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Mehmet Can Mert, Peter Filzmoser, and Karel Hron
- Subjects
Taylor approximation ,Structure (category theory) ,Earth and Planetary Sciences(all) ,Geometry ,010502 geochemistry & geophysics ,01 natural sciences ,Orthonormal coordinates ,010104 statistics & probability ,symbols.namesake ,Detection limit ,Mathematics (miscellaneous) ,Distortion ,Taylor series ,Aitchison geometry ,0101 mathematics ,0105 earth and related environmental sciences ,Mathematics ,Propagation of uncertainty ,Original Paper ,Observational error ,Compositional differential calculus ,Generalized coordinates ,symbols ,General Earth and Planetary Sciences ,Geometric mean ,Compositional data ,Algorithm - Abstract
Compositional data, as they typically appear in geochemistry in terms of concentrations of chemical elements in soil samples, need to be expressed in log-ratio coordinates before applying the traditional statistical tools if the relative structure of the data is of primary interest. There are different possibilities for this purpose, like centered log-ratio coefficients, or isometric log-ratio coordinates. In both the approaches, geometric means of the compositional parts are involved, and it is unclear how measurement errors or detection limit problems affect their presentation in coordinates. This problem is investigated theoretically by making use of the theory of error propagation. Due to certain limitations of this approach, the effect of error propagation is also studied by means of simulations. This allows to provide recommendations for practitioners on the amount of error and on the expected distortion of the results, depending on the purpose of the analysis.
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