title: Second- and higher-order data generation and calibration: a tutorial.
abstract: An introduction to multi-way calibration based on second- and higher-order data generation and processing is provided, with emphasis on practical experimental aspects. After a discussion concerning a proper nomenclature scheme, a suitable classification of the obtainable data, and the general features of the available algorithms and their underlying models, a series of examples is discussed in detail, with the purpose of illustrating the great potentiality of the field for the analytical community. Emphasis is directed toward the most popular multi-way data, i.e., second-order or matrix data, which can be conveniently measured in a variety of instruments. Third-order data are being increasingly studied and are also discussed, along with the less explored field of fourth-order data. The estimation of figures of merit, which analysts need to report during method development, is now sufficiently mature to be provided for the general audience.
authors: Departamento de Química Analítica, Facultad de Ciencias Bioquímicas y Farmacéuticas, Universidad Nacional de Rosario, Instituto de Química de Rosario (IQUIR-CONICET), Suipacha 531, Rosario S2002LRK, Argentina.
authors: Graciela M
authors: GM
authors: Escandar
authors: Laboratorio de Desarrollo Analítico y Quimiometría (LADAQ), Cátedra de Química Analítica I, Facultad de Bioquímica y Ciencias Biológicas, Universidad Nacional de Litoral, Santa Fe S3000ZAA, Argentina.
authors: Héctor C
authors: HC
authors: Goicoechea
authors: Department of Analytical Chemistry, University of Extremadura, 06006 Badajoz, Spain.
authors: Arsenio
authors: A
authors: Muñoz de la Peña
authors: Departamento de Química Analítica, Facultad de Ciencias Bioquímicas y Farmacéuticas, Universidad Nacional de Rosario, Instituto de Química de Rosario (IQUIR-CONICET), Suipacha 531, Rosario S2002LRK, Argentina. Electronic address: olivieri@iquir-conicet.gov.ar.
authors: Alejandro C
authors: AC
authors: Olivieri
keywords: Multi-way calibration; Multivariate curve resolution; Parallel factor analysis; Partial least-squares