Download or read book Practical Guide To Chemometrics Second Edition written by Paul Gemperline and published by CRC Press. This book was released on 2006-04-16 with total page 552 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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 methods of data analysis and procedures that are highly beneficial to solving a variety of problems using analytical chemistry and statistics. Rather than overshadowing the concepts with theoretical background, this book uses application-oriented examples to illustrate how chemometrics techniques can be applied to complex scenarios with multiple and dynamic variables. The book presents a diverse selection of topics that include sampling, modeling, experimental design, calibration, pattern recognition, data analysis techniques, algorithms, and error. This second edition has been completely revised to feature new chapters on principal component analysis, self-modeling curve resolution, and multi-way analysis methods. It includes expanded material on normal distributions, sampling theory, signal processing, and digital filtering. Embracing the growing role of chemometrics in some of the latest research trends, such as quantitative biology, bioinformatics, and proteomics, this book also identifies several areas for future development and applications. Practical Guide to Chemometrics, Second Edition continues to offer a reliable source of useful information in a style that is accessible to all levels of students, professionals, and researchers involved in analyzing scientific data.
Download or read book Practical Guide To Chemometrics written by Paul Gemperline and published by CRC Press. This book was released on 2006-04-16 with total page 552 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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
Download or read book Chemometrics written by Richard G. Brereton and published by John Wiley & Sons. This book was released on 2018-03-13 with total page 464 pages. Available in PDF, EPUB and Kindle. Book excerpt: A new, full-color, completely updated edition of the key practical guide to chemometrics This new edition of this practical guide on chemometrics, emphasizes the principles and applications behind the main ideas in the field using numerical and graphical examples, which can then be applied to a wide variety of problems in chemistry, biology, chemical engineering, and allied disciplines. Presented in full color, it features expansion of the principal component analysis, classification, multivariate evolutionary signal and statistical distributions sections, and new case studies in metabolomics, as well as extensive updates throughout. Aimed at the large number of users of chemometrics, it includes extensive worked problems and chapters explaining how to analyze datasets, in addition to updated descriptions of how to apply Excel and Matlab for chemometrics. Chemometrics: Data Driven Extraction for Science, Second Edition offers chapters covering: experimental design, signal processing, pattern recognition, calibration, and evolutionary data. The pattern recognition chapter from the first edition is divided into two separate ones: Principal Component Analysis/Cluster Analysis, and Classification. It also includes new descriptions of Alternating Least Squares (ALS) and Iterative Target Transformation Factor Analysis (ITTFA). Updated descriptions of wavelets and Bayesian methods are included. Includes updated chapters of the classic chemometric methods (e.g. experimental design, signal processing, etc.) Introduces metabolomics-type examples alongside those from analytical chemistry Features problems at the end of each chapter to illustrate the broad applicability of the methods in different fields Supplemented with data sets and solutions to the problems on a dedicated website Chemometrics: Data Driven Extraction for Science, Second Edition is recommended for post-graduate students of chemometrics as well as applied scientists (e.g. chemists, biochemists, engineers, statisticians) working in all areas of data analysis.
Download or read book Chemometrics written by Kenneth R. Beebe and published by Wiley-Interscience. This book was released on 1998-03-31 with total page 376 pages. Available in PDF, EPUB and Kindle. Book excerpt: An outstanding practical guide to the most common chemometric methods in use today Chemometrics explains how to apply the most widely used pattern recognition and multivariate calibration techniques to solve data analysis problems. This practical guide describes all key methods in terms of processes and applications in order to help the reader easily identify the best technique for a given situation. Drawing on years of industrial experience with chemometric tools, the authors share their six basic steps, or "habits," for achieving reliable chemometric results, and cover key areas such as: * Defining and understanding the problem * Experimental planning and design * Preprocessing of samples and variables * Supervised and unsupervised pattern recognition * Classical and inverse methods of multivariate calibration Complete with helpful chapter-end summaries, technical references, and more, this book is an invaluable hands-on resource for analytical chemists and laboratory scientists who use chemometrics in their work.
Download or read book Chemometrics for Pattern Recognition written by Richard G. Brereton and published by John Wiley & Sons. This book was released on 2009-09-28 with total page 532 pages. Available in PDF, EPUB and Kindle. Book excerpt: Over the past decade, pattern recognition has been one of the fastest growth points in chemometrics. This has been catalysed by the increase in capabilities of automated instruments such as LCMS, GCMS, and NMR, to name a few, to obtain large quantities of data, and, in parallel, the significant growth in applications especially in biomedical analytical chemical measurements of extracts from humans and animals, together with the increased capabilities of desktop computing. The interpretation of such multivariate datasets has required the application and development of new chemometric techniques such as pattern recognition, the focus of this work. Included within the text are: ‘Real world’ pattern recognition case studies from a wide variety of sources including biology, medicine, materials, pharmaceuticals, food, forensics and environmental science; Discussions of methods, many of which are also common in biology, biological analytical chemistry and machine learning; Common tools such as Partial Least Squares and Principal Components Analysis, as well as those that are rarely used in chemometrics such as Self Organising Maps and Support Vector Machines; Representation in full colour; Validation of models and hypothesis testing, and the underlying motivation of the methods, including how to avoid some common pitfalls. Relevant to active chemometricians and analytical scientists in industry, academia and government establishments as well as those involved in applying statistics and computational pattern recognition.
Download or read book State Estimation in Chemometrics written by Pierre C. Thijssen and published by Woodhead Publishing. This book was released on 2020-08-14 with total page 296 pages. Available in PDF, EPUB and Kindle. Book excerpt: This unique text blends together state estimation and chemometrics for the application of advanced data-processing techniques. State Estimation in Chemometrics, second edition describes the basic methods for chemical analysis—the multicomponent, calibration and titration systems—from a new perspective. It succinctly reviews the history of state estimation and chemometrics and provides examples of its many applications, including classical estimation, state estimation, nonlinear estimation, the multicomponent, calibration and titration systems and the Kalman filter. The concepts are introduced in a logical way and built up systematically to appeal to specialist post-graduates working in this area as well as professionals in other areas of chemistry and engineering. This new edition covers the latest research in chemometrics, appealing to readers in bio-engineering, food science, pharmacy, and the life sciences fostering cross-disciplinary research. Features a new chapter surveying the most up-to-date scientific literature on chemometrics, highlighting developments that have occurred since the first edition published Includes a new chapter devoted to new applications for state estimation in chemometrics Covers a new chapter entirely devoted to subspace identification methods Provides several new real-life examples of methods such as multiple modeling, principal component analysis, iterative target transformation factor analysis, and the generalized standard addition method
Download or read book Practical Guide and Spectral Atlas for Interpretive Near Infrared Spectroscopy Second Edition written by Jerry Workman, Jr. and published by CRC Press. This book was released on 2012-04-17 with total page 331 pages. Available in PDF, EPUB and Kindle. Book excerpt: Interpretive spectroscopy provides a basis for the establishment of cause-and-effect relationships between NIR spectrometer response and the chemical properties of the samples. Without established cause-effect relationships, the measured data has no true predictive significance. This interpretive process is key for achieving an analytical understanding of the measurement. In the expanded second edition of Practical Guide and Spectral Atlas for Interpretive Near-Infrared Spectroscopy, the authors include new research, editorials, supplements, and molecular structural formulas, along with updated references and information on NIR spectra. The thoroughly updated and revised second edition offers a full library of color spectra in a larger format to ensure clarity and reader comprehension. Providing a rich set of reference information required to interpret NIR spectra for research and industrial applications, this book: Offers more than 300 figures representing all the major functional groups and their NIR frequency ranges Contains over 120 pages of tables and charts illustrating overlapping spectra Covers NIR spectra for organic compounds, including alkanes, carboxylic acids, amines, dienes, alkynes, heterocyclic compounds, amino acids, and aldehydes Provides comprehensive appendices with spectra-structure correlations, example spectra, and other useful data for interpreting NIR spectra
Download or read book Chemometric Approach to the Experiment Optimization and Data Evaluation in Analytical Chemistry written by Dr Antonije E. Onjia and published by Tehnološko-metalurški falkultet, Beograd, Institut za nuklearne nauke VINČA. This book was released on 2017-10-03 with total page 151 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Practical Data Analysis in Chemistry written by Marcel Maeder and published by Elsevier. This book was released on 2007-08-10 with total page 340 pages. Available in PDF, EPUB and Kindle. Book excerpt: The majority of modern instruments are computerised and provide incredible amounts of data. Methods that take advantage of the flood of data are now available; importantly they do not emulate 'graph paper analyses' on the computer. Modern computational methods are able to give us insights into data, but analysis or data fitting in chemistry requires the quantitative understanding of chemical processes. The results of this analysis allows the modelling and prediction of processes under new conditions, therefore saving on extensive experimentation. Practical Data Analysis in Chemistry exemplifies every aspect of theory applicable to data analysis using a short program in a Matlab or Excel spreadsheet, enabling the reader to study the programs, play with them and observe what happens. Suitable data are generated for each example in short routines, this ensuring a clear understanding of the data structure. Chapter 2 includes a brief introduction to matrix algebra and its implementation in Matlab and Excel while Chapter 3 covers the theory required for the modelling of chemical processes. This is followed by an introduction to linear and non-linear least-squares fitting, each demonstrated with typical applications. Finally Chapter 5 comprises a collection of several methods for model-free data analyses. * Includes a solid introduction to the simulation of equilibrium processes and the simulation of complex kinetic processes. * Provides examples of routines that are easily adapted to the processes investigated by the reader * 'Model-based' analysis (linear and non-linear regression) and 'model-free' analysis are covered
Download or read book Chemometrics written by Richard G. Brereton and published by John Wiley & Sons. This book was released on 2018-05-29 with total page 468 pages. Available in PDF, EPUB and Kindle. Book excerpt: A new, full-color, completely updated edition of the key practical guide to chemometrics This new edition of this practical guide on chemometrics, emphasizes the principles and applications behind the main ideas in the field using numerical and graphical examples, which can then be applied to a wide variety of problems in chemistry, biology, chemical engineering, and allied disciplines. Presented in full color, it features expansion of the principal component analysis, classification, multivariate evolutionary signal and statistical distributions sections, and new case studies in metabolomics, as well as extensive updates throughout. Aimed at the large number of users of chemometrics, it includes extensive worked problems and chapters explaining how to analyze datasets, in addition to updated descriptions of how to apply Excel and Matlab for chemometrics. Chemometrics: Data Driven Extraction for Science, Second Edition offers chapters covering: experimental design, signal processing, pattern recognition, calibration, and evolutionary data. The pattern recognition chapter from the first edition is divided into two separate ones: Principal Component Analysis/Cluster Analysis, and Classification. It also includes new descriptions of Alternating Least Squares (ALS) and Iterative Target Transformation Factor Analysis (ITTFA). Updated descriptions of wavelets and Bayesian methods are included. Includes updated chapters of the classic chemometric methods (e.g. experimental design, signal processing, etc.) Introduces metabolomics-type examples alongside those from analytical chemistry Features problems at the end of each chapter to illustrate the broad applicability of the methods in different fields Supplemented with data sets and solutions to the problems on a dedicated website, www.booksupport.wiley.com Chemometrics: Data Driven Extraction for Science, Second Edition is recommended for post-graduate students of chemometrics as well as applied scientists (e.g. chemists, biochemists, engineers, statisticians) working in all areas of data analysis.
Download or read book Chemometrics and Numerical Methods in LIBS written by Vincenzo Palleschi and published by John Wiley & Sons. This book was released on 2022-10-25 with total page 388 pages. Available in PDF, EPUB and Kindle. Book excerpt: Chemometrics and Numerical Methods in LIBS A practical guide to the application of chemometric methods to solve qualitative and quantitative problems in LIBS analyses Chemometrics and Numerical Methods in LIBS, delivers an authoritative and practical exploration of the use of advanced chemometric methods to laser-induced breakdown spectroscopy (LIBS) cases. The book discusses the fundamentals of chemometrics before moving on to solutions that can be applied to data analysis methods. It is a concise guide designed to help readers at all levels of knowledge solve commonly encountered problems in the field. The book includes three sections: LIBS information simplification, LIBS classification, and quantitative analysis by LIBS. Each section of the book is divided into a description of relevant techniques and practical examples of its applications. Contributors to this edited volume are the most recognized international experts on the chemometric techniques relevant to LIBS analysis. Chemometrics and Numerical Methods in LIBS also includes: A thorough introduction to the simplification of LIBS information, including principal component analysis, independent component analysis, and parallel factor analysis Comprehensive explorations of classification by LIBS, including spectral angle mapping, linear discriminant analysis, graph clustering, self-organizing maps, and artifical neural networks Practical discussions of linear methods for quantitative analysis by LIBS, including calibration curves, partial least squares regression, and limit of detection In-depth examinations of multivariate analysis and non-linear methods, including calibration-free LIBS, the non-linear Kalman filter, artificial and convolutional neural networks for quantification Relevant for researchers and PhD students seeking practical information on the application of advanced statistical methods to the analysis of LIBS spectra, Chemometrics and Numerical Methods in LIBS will also earn a place in the libraries of students taking courses involving LIBS spectro-analytical techniques
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 Practical Guide to Interpretive Near Infrared Spectroscopy written by Jerry Workman Jr. and published by CRC Press. This book was released on 2007-10-26 with total page 346 pages. Available in PDF, EPUB and Kindle. Book excerpt: Containing focused, comprehensive coverage, Practical Guide to Interpretive Near-Infrared Spectroscopy gives you the tools necessary to interpret NIR spectra. The authors present extensive tables, charts, and figures with NIR absorption band assignments and structural information for a broad range of functional groups, organic compounds, and
Download or read book BIWIC 2007 written by Alison Lewis and published by IOS Press. This book was released on 2007 with total page 284 pages. Available in PDF, EPUB and Kindle. Book excerpt: The field of crystallization holds many challenges, with the physical and chemical complexity of the crystallization process being core to the dynamic nature of the field. Exciting advances are achieved in the areas of nanoparticle formation, product and particle design and methods of particle characterization.
Download or read book BIWIC 2007 14th International Workshop on Industrial Crystallization written by A.E. Lewis and published by IOS Press. This book was released on 2007-08-31 with total page 284 pages. Available in PDF, EPUB and Kindle. Book excerpt: The field of crystallization holds many challenges, with the physical and chemical complexity of the crystallization process being core to the dynamic nature of the field. Exciting advances are currently being achieved in the areas of nanoparticle formation, product and particle design and methods of particle characterisation. There is also significant progress and innovation in the design, scale-up and control of crystallizers. These key developments are reflected in the session themes of the 14th BIWIC (Bremen International Workshop on Industrial Crystallization) with the technical programme incorporating a wide range of topics, such as; The formation and stabilisation of nano particles; Polymorphs and co-crystals in pharmaceutical preparation; Product and particle design; Kinetics of crystallization and measurement of crystal properties; Freeze, Antisolvent, Reactive and Melt crystallization; and Design, scale-up and control of crystallization processes at the industrial scale.
Download or read book Basic Chemometric Techniques in Atomic Spectroscopy written by Jose Andrade-Garda and published by Royal Society of Chemistry. This book was released on 2015-11-09 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.
