Multivariate Calibration
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Introduction To Multivariate Calibration
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Author : Alejandro C. Olivieri
language : en
Publisher: Springer
Release Date : 2018-08-20
Introduction To Multivariate Calibration written by Alejandro C. Olivieri and has been published by Springer this book supported file pdf, txt, epub, kindle and other format this book has been release on 2018-08-20 with Science categories.
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.
Multivariate Calibration
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Author : Harald Martens
language : en
Publisher: John Wiley & Sons
Release Date : 1992-08-07
Multivariate Calibration written by Harald Martens and has been published by John Wiley & Sons this book supported file pdf, txt, epub, kindle and other format this book has been release on 1992-08-07 with Science categories.
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.
Multi And Megavariate Data Analysis Basic Principles And Applications
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Author : L. Eriksson
language : en
Publisher: Umetrics Academy
Release Date : 2013-07-01
Multi And Megavariate Data Analysis Basic Principles And Applications written by L. Eriksson and has been published by Umetrics Academy this book supported file pdf, txt, epub, kindle and other format this book has been release on 2013-07-01 with Mathematics categories.
To understand the world around us, as well as ourselves, we need to measure many things, many variables, many properties of the systems and processes we investigate. Hence, data collected in science, technology, and almost everywhere else are multivariate, a data table with multiple variables measured on multiple observations (cases, samples, items, process time points, experiments). This book describes a remarkably simple minimalistic and practical approach to the analysis of data tables (multivariate data). The approach is based on projection methods, which are PCA (principal components analysis), and PLS (projection to latent structures) and the book shows how this works in science and technology for a wide variety of applications. In particular, it is shown how the great information content in well collected multivariate data can be expressed in terms of simple but illuminating plots, facilitating the understanding and interpretation of the data. The projection approach applies to a variety of data-analytical objectives, i.e., (i) summarizing and visualizing a data set, (ii) multivariate classification and discriminant analysis, and (iii) finding quantitative relationships among the variables. This works with any shape of data table, with many or few variables (columns), many or few observations (rows), and complete or incomplete data tables (missing data). In particular, projections handle data matrices with more variables than observations very well, and the data can be noisy and highly collinear. Authors: The five authors are all connected to the Umetrics company (www.umetrics.com) which has developed and sold software for multivariate analysis since 1987, as well as supports customers with training and consultations. Umetrics' customers include most large and medium sized companies in the pharmaceutical, biopharm, chemical, and semiconductor sectors.
Practical Three Way Calibration
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Author : Alejandro Olivieri
language : en
Publisher: Elsevier
Release Date : 2014-03-15
Practical Three Way Calibration written by Alejandro Olivieri and has been published by Elsevier this book supported file pdf, txt, epub, kindle and other format this book has been release on 2014-03-15 with Science categories.
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
Basic Chemometric Techniques In Atomic Spectroscopy
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Author : Jose Andrade-Garda
language : en
Publisher: Royal Society of Chemistry
Release Date : 2015-11-09
Basic Chemometric Techniques In Atomic Spectroscopy written by Jose Andrade-Garda and has been published by Royal Society of Chemistry this book supported file pdf, txt, epub, kindle and other format this book has been release on 2015-11-09 with Science categories.
The first edition of this book was a first book for atomic spectroscopists to present the basic principles of experimental designs, optimization and multivariate regression. Multivariate regression is a valuable statistical method for handling complex problems (such as spectral and chemical interferences) which arise during atomic spectrometry. However, the technique is underused as most spectroscopists do not have time to study the often complex literature on the subject. This practical introduction uses conceptual explanations and worked examples to give readers a clear understanding of the technique. Mathematics is kept to a minimum but, when required, is kept at a basic level. Practical considerations, interpretations and troubleshooting are emphasized and literature surveys are included to guide the reader to further work. The same dataset is used for all chapters dealing with calibration to demonstrate the differences between the different methodologies. Readers will learn how to handle spectral and chemical interferences in atomic spectrometry in a new, more efficient and cost-effective way.
Handbook Of Chemometrics And Qualimetrics
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Author :
language : en
Publisher: Elsevier
Release Date : 1998-12-04
Handbook Of Chemometrics And Qualimetrics written by and has been published by Elsevier this book supported file pdf, txt, epub, kindle and other format this book has been release on 1998-12-04 with Science categories.
Chemometric Approach To The Experiment Optimization And Data Evaluation In Analytical Chemistry
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Author : Dr Antonije E. Onjia
language : en
Publisher: Tehnološko-metalurški falkultet, Beograd, Institut za nuklearne nauke VINČA
Release Date : 2017-10-03
Chemometric Approach To The Experiment Optimization And Data Evaluation In Analytical Chemistry written by Dr Antonije E. Onjia and has been published by Tehnološko-metalurški falkultet, Beograd, Institut za nuklearne nauke VINČA this book supported file pdf, txt, epub, kindle and other format this book has been release on 2017-10-03 with categories.
Fundamentals And Applications Of Multiway Data Analysis
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Author : Alejandro Olivieri
language : en
Publisher: Elsevier
Release Date : 2024-01-19
Fundamentals And Applications Of Multiway Data Analysis written by Alejandro Olivieri and has been published by Elsevier this book supported file pdf, txt, epub, kindle and other format this book has been release on 2024-01-19 with Technology & Engineering categories.
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
Handbook Of Near Infrared Analysis
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Author : Donald A. Burns
language : en
Publisher: CRC Press
Release Date : 2007-09-07
Handbook Of Near Infrared Analysis written by Donald A. Burns and has been published by CRC Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2007-09-07 with Science categories.
Fast, inexpensive, and easy-to-use, near-infrared (NIR) spectroscopy can be used to analyze small samples of virtually any composition. The Handbook of Near Infrared Analysis, Third Edition explains how to perform accurate as well as time- and cost-effective analyses across a growing spectrum of disciplines. Presenting nearly 50% new and re
Profiles Of Drug Substances Excipients And Related Methodology
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Author : Harry G. Brittain
language : en
Publisher: Academic Press
Release Date : 2012-05-09
Profiles Of Drug Substances Excipients And Related Methodology written by Harry G. Brittain and has been published by Academic Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2012-05-09 with Medical categories.
Volumes in this widely revered series present comprehensive reviews of drug substances and additional materials, with critical review chapters that summarize information related to the characterization of drug substances and excipients. This organizational structure meets the needs of the pharmaceutical community and allows for the development of a timely vehicle for publishing review materials on this topic. The scope of the Profiles series encompasses review articles and database compilations that fall within one of the following six broad categories: Physical profiles of drug substances and excipients; Analytical profiles of drug substances and excipients; Drug metabolism and pharmacokinetic profiles of drug substances and excipients; Methodology related to the characterization of drug substances and excipients; Methods of chemical synthesis; and Reviews of the uses and applications for individual drug substances, classes of drug substances, or excipients. - Contributions from leading authorities - Informs and updates on all the latest developments in the field