TY - JOUR

T1 - Information theory approach to underdetermined simultaneous multicomponent analysis

AU - Schechter, Israel

PY - 1996

Y1 - 1996

N2 - An algorithm for analysis of simultaneous multicomponent systems is proposed. This method is suitable for underdetermined systems, where the number of chemical components is larger than the number of measured data points. This method provides a rational solution to such underdetermined cases, with no need of any model assumptions. Such situations are faced, for example, in application of low-cost sensors to environmental analysis, where complex mixtures must be handled. The proposed solution is based on information theory and provides a unique set of concentrations that is the most unbiased one. The algorithm maximizes the entropy of the solution set, which means that the final unjustified information is minimal. Detailed description of the mathematical procedure is provided. The method is exemplified for spectroscopic analysis and evaluated by extensive computer simulations. Several effects, such as the number of components and the number of measured points, the noise level, spectral characteristics, and the sampling design, are studied. The stability of the algorithm and the analytical performance in some cases are evaluated in respect to these factors. Satisfactory results are obtained in systems with realistic noise levels.

AB - An algorithm for analysis of simultaneous multicomponent systems is proposed. This method is suitable for underdetermined systems, where the number of chemical components is larger than the number of measured data points. This method provides a rational solution to such underdetermined cases, with no need of any model assumptions. Such situations are faced, for example, in application of low-cost sensors to environmental analysis, where complex mixtures must be handled. The proposed solution is based on information theory and provides a unique set of concentrations that is the most unbiased one. The algorithm maximizes the entropy of the solution set, which means that the final unjustified information is minimal. Detailed description of the mathematical procedure is provided. The method is exemplified for spectroscopic analysis and evaluated by extensive computer simulations. Several effects, such as the number of components and the number of measured points, the noise level, spectral characteristics, and the sampling design, are studied. The stability of the algorithm and the analytical performance in some cases are evaluated in respect to these factors. Satisfactory results are obtained in systems with realistic noise levels.

UR - http://www.scopus.com/inward/record.url?scp=0345130673&partnerID=8YFLogxK

U2 - 10.1021/ac950302x

DO - 10.1021/ac950302x

M3 - 文章

C2 - 21619233

AN - SCOPUS:0345130673

VL - 68

SP - 170

EP - 175

JO - Analytical Chemistry

JF - Analytical Chemistry

SN - 0003-2700

IS - 1

ER -