Practical Three-Way Calibration


Book Description

Practical Three-Way Calibration is an introductory-level guide to the complex field of analytical calibration with three-way instrumental data. With minimal use of mathematical/statistical expressions, it walks the reader through the analytical methodologies with helpful images and step-by-step explanations. Unlike other books on the subject, there is no need for prior programming experience and no need to learn programming languages. Easy-to-use graphical interfaces and intuitive descriptions of mathematical and statistical concepts make three-way calibration methodologies accessible to analytical chemists and scientists in a wide range of disciplines in industry and academia. - Numerous detailed examples of slowly increasing complexity - Exposure to several different data sets and techniques through figures and diagrams - Computer program screenshots for easy learning without prior knowledge of programming languages - Minimal use of mathematical/statistical expressions




Fundamentals and Analytical Applications of Multiway Calibration


Book Description

Fundamentals and Analytical Applications of Multi-Way Calibration presents researchers with a set of effective tools they can use to obtain the maximum information from instrumental data. It includes the most advanced techniques, methods, and algorithms related to multi-way calibration and the ways they can be applied to solve actual analytical problems. This book provides a comprehensive coverage of the main aspects of multi-way analysis, including fundamentals and selected applications of chemometrics that can resolve complex analytical chemistry problems through the use of multi-way calibration. Includes the most advanced techniques, methods, and algorithms related to multi-way calibration and the ways they can be applied to solve actual analytical problems Presents researchers with a set of effective tools they can use to obtain the maximum information from instrumental data Provides comprehensive coverage of the main aspects of multi-way analysis, including fundamentals and selected applications of chemometrics




Practical Guide To Chemometrics


Book Description

The limited coverage of data analysis and statistics offered in most undergraduate and graduate analytical chemistry courses is usually focused on practical aspects of univariate methods. Drawing in real-world examples, Practical Guide to Chemometrics, Second Edition offers an accessible introduction to application-oriented multivariate meth







Fundamentals and Applications of Multiway Data Analysis


Book Description

Fundamentals and Applications of Multiway Data Analysis provides comprehensive coverage of the main aspects of multiway analysis, including selected applications that can resolve complex analytical chemistry problems. This book follows on from Fundamentals and Analytical Applications of Multiway Calibration, (2015) by addressing new theoretical analysis and applications on subjects beyond multiway calibration and devoted to the analysis of multiway data for other purposes. Specifically, this new volume presents researchers a set of effective tools they can use to obtain the maximum information from instrumental data. This book includes the most advanced techniques, methods and algorithms related to multiway modelling for solving calibration and classification tasks, and the way they can be applied. This book collects contributions from a selected number of well-known and active chemometric research groups across the world, each covering one or more subjects where their expertise is recognized and appreciated. - Includes chapters written by renowned international authors, all currently active in the subject field - Presents coverage of all the main aspects of multi-way analytical data analysis, concerning the two main areas of interest: data generation and algorithmic models for data processing - Provides up-to-date material with reference to current literature on the subject




Introduction to Multivariate Calibration


Book Description

This book offers an introductory-level guide to the complex field of multivariate analytical calibration, with particular emphasis on real applications such as near infrared spectroscopy. It presents intuitive descriptions of mathematical and statistical concepts, illustrated with a wealth of figures and diagrams, and consistently highlights physicochemical interpretation rather than mathematical issues. In addition, it describes an easy-to-use and freely available graphical interface, together with a variety of appropriate examples and exercises. Lastly, it discusses recent advances in the field (figures of merit, detection limit, non-linear calibration, method comparison), together with modern literature references.







Comprehensive Chemometrics


Book Description

Comprehensive Chemometrics, Second Edition, Four Volume Set features expanded and updated coverage, along with new content that covers advances in the field since the previous edition published in 2009. Subject of note include updates in the fields of multidimensional and megavariate data analysis, omics data analysis, big chemical and biochemical data analysis, data fusion and sparse methods. The book follows a similar structure to the previous edition, using the same section titles to frame articles. Many chapters from the previous edition are updated, but there are also many new chapters on the latest developments. Presents integrated reviews of each chemical and biological method, examining their merits and limitations through practical examples and extensive visuals Bridges a gap in knowledge, covering developments in the field since the first edition published in 2009 Meticulously organized, with articles split into 4 sections and 12 sub-sections on key topics to allow students, researchers and professionals to find relevant information quickly and easily Written by academics and practitioners from various fields and regions to ensure that the knowledge within is easily understood and applicable to a large audience Presents integrated reviews of each chemical and biological method, examining their merits and limitations through practical examples and extensive visuals Bridges a gap in knowledge, covering developments in the field since the first edition published in 2009 Meticulously organized, with articles split into 4 sections and 12 sub-sections on key topics to allow students, researchers and professionals to find relevant information quickly and easily Written by academics and practitioners from various fields and regions to ensure that the knowledge within is easily understood and applicable to a large audience




Partial Least Squares Regression


Book Description

Partial least squares (PLS) regression is, at its historical core, a black-box algorithmic method for dimension reduction and prediction based on an underlying linear relationship between a possibly vector-valued response and a number of predictors. Through envelopes, much more has been learned about PLS regression, resulting in a mass of information that allows an envelope bridge that takes PLS regression from a black-box algorithm to a core statistical paradigm based on objective function optimization and, more generally, connects the applied sciences and statistics in the context of PLS. This book focuses on developing this bridge. It also covers uses of PLS outside of linear regression, including discriminant analysis, non-linear regression, generalized linear models and dimension reduction generally. Key Features: • Showcases the first serviceable method for studying high-dimensional regressions. • Provides necessary background on PLS and its origin. • R and Python programs are available for nearly all methods discussed in the book. This book can be used as a reference and as a course supplement at the Master's level in Statistics and beyond. It will be of interest to both statisticians and applied scientists.




Principles and Practice of Spectroscopic Calibration


Book Description

Dealing with the principles of calibration--both the theoretical and mathematical constructs which relate features of calibration equations to the physical phenomena that affect instruments and samples used on generating information. Among derivations in leading spectroscopic and statistical literature, numerous necessary mathematical derivations have been specifically designed for this book. Covers the practical aspects of generating a calibration equation including how to recognize and deal with various types of problems affecting calibration dataset, relating theoretical ideas, and their affect on data and how to deal with unusual situations.