Multivariate curve resolution with alternating least squares: description, operation and aplications

Química Nova

Universidade Tecnológica Federal do Paraná, Campo Mourão, Brasil¹  Valderrama, Patrícia¹  Março, Paulo Henrique¹  Tauler, Rom๠ Alexandrino, Guilherme Lionello¹  Universidade Estadual de Campinas, Campinas, Brasil¹  Institute of Environmental Diagnostics and Water Studies IDAEA-CSIC Jordi Girona, Barcelona, Spain¹  Poppi, Ronei Jesus¹ 

关键词: chemometrics;    resolution methods;    signal separation.;   

DOI  :  10.5935/0100-4042.20140205

学科分类：化学（综合）

来源: Sociedade Brasileira de Quimica

【 摘 要 】

Multivariate Curve Resolution with Alternating Least Squares (MCR-ALS) is a resolution method that has been efficiently applied in many different fields, such as process analysis, environmental data and, more recently, hyperspectral image analysis. When applied to second order data (or to three-way data) arrays, recovery of the underlying basis vectors in both measurement orders (i.e. signal and concentration orders) from the data matrix can be achieved without ambiguities if the trilinear model constraint is considered during the ALS optimization. This work summarizes different protocols of MCR-ALS application, presenting a case study: near-infrared image spectroscopy.

【 授权许可】

Unknown