Download or read book Introduction to Multivariate Calibration written by Alejandro C. Olivieri and published by Springer. This book was released on 2018-08-20 with total page 243 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.
Download or read book Multivariate Calibration written by Harald Martens and published by John Wiley & Sons. This book was released on 1992-08-07 with total page 444 pages. Available in PDF, EPUB and Kindle. Book excerpt: Multivariate Calibration Harald Martens, Chemist, Norwegian Food Research Institute, Aas, Norway and Norwegian Computing Center, Oslo, Norway Tormod Næs, Statistician, Norwegian Food Research Institute, Aas, Norway The aim of this inter-disciplinary book is to present an up-to-date view of multivariate calibration of analytical instruments, for use in research, development and routine laboratory and process operation. The book is intended to show practitioners in chemistry and technology how to extract the quantitative and understandable information embedded in non-selective, overwhelming and apparently useless measurements by multivariate data analysis. Multivariate calibration is the process of learning how to combine data from several channels, in order to overcome selectivity problems, gain new insight and allow automatic outlier detection. Multivariate calibration is the basis for the present success of high-speed Near-Infrared (NIR) diffuse spectroscopy of intact samples. But the technique is very general: it has shown similar advantages in, for instance, UV, Vis, and IR spectrophotometry, (transmittance, reflectance and fluorescence), for x-ray diffraction, NMR, MS, thermal analysis, chromatography (GC, HPLC) and for electrophoresis and image analysis (tomography, microscopy), as well as other techniques. The book is written at two levels: the main level is structured as a tutorial on the practical use of multivariate calibration techniques. It is intended for university courses and self-study for chemists and technologists, giving one complete and versatile approach, based mainly on data compression methodology in self-modelling PLS regression, with considerations of experimental design, data pre-processing and model validation. A second, more methodological, level is intended for statisticians and specialists in chemometrics. It compares several alternative calibration methods, validation approaches and ways to optimize the models. The book also outlines some cognitive changes needed in analytical chemistry, and suggests ways to overcome some communication problems between statistics and chemistry and technology.
Download or read book Multivariate Data Analysis written by Kim H. Esbensen and published by Multivariate Data Analysis. This book was released on 2002 with total page 622 pages. Available in PDF, EPUB and Kindle. Book excerpt: "Multivariate Data Analysis - in practice adopts a practical, non-mathematical approach to multivariate data analysis. The book's principal objective is to provide a conceptual framework for multivariate data analysis techniques, enabling the reader to apply these in his or her own field. Features: Focuses on the practical application of multivariate techniques such as PCA, PCR and PLS and experimental design. Non-mathematical approach - ideal for analysts with little or no background in statistics. Step by step introduction of new concepts and techniques promotes ease of learning. Theory supported by hands-on exercises based on real-world data. A full training copy of The Unscrambler (for Windows 95, Windows NT 3.51 or later versions) including data sets for the exercises is available. Tutorial exercises based on data from real-world applications are used throughout the book to illustrate the use of the techniques introduced, providing the reader with a working knowledge of modern multivariate data analysis and experimental design. All exercises use The Unscrambler, a de facto industry standard for multivariate data analysis software packages. Multivariate Data Analysis in Practice is an excellent self-study text for scientists, chemists and engineers from all disciplines (non-statisticians) wishing to exploit the power of practical multivariate methods. It is very suitable for teaching purposes at the introductory level, and it can always be supplemented with higher level theoretical literature."Résumé de l'éditeur.
Download or read book Matrix Pencils written by B. Kagström and published by Springer. This book was released on 2006-11-15 with total page 304 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book A User friendly Guide to Multivariate Calibration and Classification written by Tormod Næs and published by Nir Publications. This book was released on 2002 with total page 0 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Practical Three Way Calibration written by Alejandro Olivieri and published by Elsevier. This book was released on 2014-03-15 with total page 329 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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
Download or read book Handbook of Chemometrics and Qualimetrics written by and published by Elsevier. This book was released on 1998-12-04 with total page 729 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Chemometrics written by B.R. Kowalski and published by Springer Science & Business Media. This book was released on 2013-04-17 with total page 492 pages. Available in PDF, EPUB and Kindle. Book excerpt: At a time when computerized laboratory automation is producing a da ta explosion, chemists are turning to applied mathematics and statistics for the tools to extract useful chemical information from data. This rush to find applicable methods has lead to a somewhat confusing body of literature that represents a barrier to chemists wishing to learn more about chemometrics. The confusion results partly from the mixing of chemical notation and nomenclature with those of statistics, applied mathematics and engineering. Additionally, in the absence of collaboration with mathematicians, chemists have, at times, misused data analysis methodology and even reinvented methods that have seen years of service in other fields. The Chemometrics Society has worked hard to solve this problem since it was founded in 1974 with the goal of improving communications between the chemical sciences and applied mathe matics and statistics. The NATO Advanced Study Institute on Chemometrics is evidence of this fact as it was initiated in response to a call from its membership for advanced training in several areas of chemometrics. This Institute focused on current theory and application in the new field of Chemometrics: Use of mathematical and statistical methods, Ca) to design or select optimal measurement procedures and experiments; and Cb) to provide maximum chemical information by analyzing chemical data. The Institute had two formal themes and two informal themes.
Download or read book Fundamentals and Analytical Applications of Multiway Calibration written by and published by Elsevier. This book was released on 2015-08-10 with total page 612 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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
Download or read book Multivariate Analysis of Quality written by Harald Martens and published by John Wiley & Sons. This book was released on 2001-02-08 with total page 476 pages. Available in PDF, EPUB and Kindle. Book excerpt: Die Datenanalyse mit mehreren Variablen gehört zum Alltag der Chemometrie. Die Autoren sind ausgezeichnete Spezialisten auf dem Gebiet der multivariaten Analyse. Sie geben hier in saloppem Stil und aufgelockert durch zahlreiche witzige Cartoons eine verständliche Einführung in dieses Thema. Erläutert werden eine Reihe von Anwendungen bei der Qualitätskontrolle, insbesondere in der Nahrungsmittelindustrie. Mit zahlreichen Kontrollfragen und Übungsaufgaben!
Download or read book Introduction to Multivariate Statistical Analysis in Chemometrics written by Kurt Varmuza and published by CRC Press. This book was released on 2016-04-19 with total page 328 pages. Available in PDF, EPUB and Kindle. Book excerpt: Using formal descriptions, graphical illustrations, practical examples, and R software tools, Introduction to Multivariate Statistical Analysis in Chemometrics presents simple yet thorough explanations of the most important multivariate statistical methods for analyzing chemical data. It includes discussions of various statistical methods, such as
Download or read book Infrared Spectroscopy for Food Quality Analysis and Control written by Da-Wen Sun and published by Academic Press. This book was released on 2009-03-05 with total page 445 pages. Available in PDF, EPUB and Kindle. Book excerpt: Written by an international panel of professional and academic peers, the book provides the engineer and technologist working in research, development and operations in the food industry with critical and readily accessible information on the art and science of infrared spectroscopy technology. The book should also serve as an essential reference source to undergraduate and postgraduate students and researchers in universities and research institutions. Infrared (IR) Spectroscopy deals with the infrared part of the electromagnetic spectrum. It measure the absorption of different IR frequencies by a sample positioned in the path of an IR beam. Currently, infrared spectroscopy is one of the most common spectroscopic techniques used in the food industry. With the rapid development in infrared spectroscopic instrumentation software and hardware, the application of this technique has expanded into many areas of food research. It has become a powerful, fast, and non-destructive tool for food quality analysis and control. Infrared Spectroscopy for Food Quality Analysis and Control reflects this rapid technology development. The book is divided into two parts. Part I addresses principles and instruments, including theory, data treatment techniques, and infrared spectroscopy instruments. Part II covers the application of IRS in quality analysis and control for various foods including meat and meat products, fish and related products, and others. Explores this rapidly developing, powerful and fast non-destructive tool for food quality analysis and control Presented in two Parts -- Principles and Instruments, including theory, data treatment techniques, and instruments, and Application in Quality Analysis and Control for various foods making it valuable for understanding and application Fills a need for a comprehensive resource on this area that includes coverage of NIR and MVA
Download or read book Chemometrics and Cheminformatics in Aquatic Toxicology written by Kunal Roy and published by John Wiley & Sons. This book was released on 2022-01-06 with total page 596 pages. Available in PDF, EPUB and Kindle. Book excerpt: CHEMOMETRICS AND CHEMINFORMATICS IN AQUATIC TOXICOLOGY Explore chemometric and cheminformatic techniques and tools in aquatic toxicology Chemometrics and Cheminformatics in Aquatic Toxicology delivers an exploration of the existing and emerging problems of contamination of the aquatic environment through various metal and organic pollutants, including industrial chemicals, pharmaceuticals, cosmetics, biocides, nanomaterials, pesticides, surfactants, dyes, and more. The book discusses different chemometric and cheminformatic tools for non-experts and their application to the analysis and modeling of toxicity data of chemicals to various aquatic organisms. You’ll learn about a variety of aquatic toxicity databases and chemometric software tools and webservers as well as practical examples of model development, including illustrations. You’ll also find case studies and literature reports to round out your understanding of the subject. Finally, you’ll learn about tools and protocols including machine learning, data mining, and QSAR and ligand-based chemical design methods. Readers will also benefit from the inclusion of: A thorough introduction to chemometric and cheminformatic tools and techniques, including machine learning and data mining An exploration of aquatic toxicity databases, chemometric software tools, and webservers Practical examples and case studies to highlight and illustrate the concepts contained within the book A concise treatment of chemometric and cheminformatic tools and their application to the analysis and modeling of toxicity data Perfect for researchers and students in chemistry and the environmental and pharmaceutical sciences, Chemometrics and Cheminformatics in Aquatic Toxicology will also earn a place in the libraries of professionals in the chemical industry and regulators whose work involves chemometrics.
Download or read book Comprehensive Chemometrics written by Steven Brown and published by Elsevier. This book was released on 2020-05-26 with total page 2948 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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
Download or read book Multivariate Calibration Quantitative Interpretation Ofnon selective Chemical Data Vol 1 written by Harald Martens and published by . This book was released on 1986 with total page 107 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Machine Learning and Pattern Recognition Methods in Chemistry from Multivariate and Data Driven Modeling written by Jahan B. Ghasemi and published by Elsevier. This book was released on 2022-10-20 with total page 212 pages. Available in PDF, EPUB and Kindle. Book excerpt: Machine Learning and Pattern Recognition Methods in Chemistry from Multivariate and Data Driven Modeling outlines key knowledge in this area, combining critical introductory approaches with the latest advanced techniques. Beginning with an introduction of univariate and multivariate statistical analysis, the book then explores multivariate calibration and validation methods. Soft modeling in chemical data analysis, hyperspectral data analysis, and autoencoder applications in analytical chemistry are then discussed, providing useful examples of the techniques in chemistry applications. Drawing on the knowledge of a global team of researchers, this book will be a helpful guide for chemists interested in developing their skills in multivariate data and error analysis. Provides an introductory overview of statistical methods for the analysis and interpretation of chemical data Discusses the use of machine learning for recognizing patterns in multidimensional chemical data Identifies common sources of multivariate errors
Download or read book Fundamentals and Applications of Multiway Data Analysis written by Alejandro Olivieri and published by Elsevier. This book was released on 2024-01-19 with total page 710 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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
