Statistics for Analytical Chemistry

Author: James N. Miller

Publisher: Prentice Hall

ISBN: N.A

Category: Chemistry, Analytic

Page: 233

View: 1363

An account of the underlying principles of statistical methods for students and practitioners of analytical chemistry, reflecting the impact of microelectronics for the rapid calculation of chemometric procedures such as pattern recognition, optimization, and numerical techniques. Significant change
Release

Statistics and Chemometrics for Analytical Chemistry

Author: James Miller,Jane C Miller

Publisher: Pearson Education

ISBN: 1292186747

Category: Science

Page: 312

View: 4145

Statistics and Chemometrics for Analytical Chemistry 7th edition provides a clear, accessible introduction to main statistical methods used in modern analytical laboratories. It continues to be the ideal companion for students in Chemistry and related fields keen to build their understanding of how to conduct high quality analyses in areas such as the safety of food, water and medicines, environmental monitoring, and chemical manufacturing. With a focus on the underlying statistical ideas, this book incorporates useful real world examples, step by step explanation and helpful exercises throughout. Features of the new edition: · Significant revision of the Quality of analytical measurements chapter to incorporate more detailed coverage of the estimation of measurement uncertainty and the validation of analytical methods. · Updated coverage of a range of topics including robust statistics, Bayesian methods, and testing for normality of distribution, plus expanded material on regression and calibration methods. · Additional experimental design methods, including the increasingly popular optimal designs. · Worked examples have been updated throughout to ensure compatibility with the latest versions of Excel and Minitab. · Exercises are available at the end of each chapter to allow student to check understanding and prepare for exams. Answers are provided at the back of the book for handy reference. This book is aimed at undergraduate and graduate courses in Analytical Chemistry and related topics. It will also be a valuable resource for researchers and chemists working in analytical chemistry.
Release

Chemometrics

Statistics and Computer Application in Analytical Chemistry

Author: Matthias Otto

Publisher: John Wiley & Sons

ISBN: 3527699368

Category: Science

Page: 400

View: 4712

The third edition of this long-selling introductory textbook and ready reference covers all pertinent topics, from basic statistics via modeling and databases right up to the latest regulatory issues. The experienced and internationally recognized author, Matthias Otto, introduces the statistical-mathematical evaluation of chemical measurements, especially analytical ones, going on to provide a modern approach to signal processing, designing and optimizing experiments, pattern recognition and classification, as well as modeling simple and nonlinear relationships. Analytical databases are equally covered as are applications of multiway analysis, artificial intelligence, fuzzy theory, neural networks, and genetic algorithms. The new edition has 10% new content to cover such recent developments as orthogonal signal correction and new data exchange formats, tree based classification and regression, independent component analysis, ensemble methods and neuro-fuzzy systems. It still retains, however, the proven features from previous editions: worked examples, questions and problems, additional information and brief explanations in the margin.
Release

Introduction to Multivariate Statistical Analysis in Chemometrics

Author: Kurt Varmuza,Peter Filzmoser

Publisher: CRC Press

ISBN: 9781420059496

Category: Science

Page: 336

View: 5423

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 principal component analysis, regression analysis, classification methods, and clustering. Written by a chemometrician and a statistician, the book reflects the practical approach of chemometrics and the more formally oriented one of statistics. To enable a better understanding of the statistical methods, the authors apply them to real data examples from chemistry. They also examine results of the different methods, comparing traditional approaches with their robust counterparts. In addition, the authors use the freely available R package to implement methods, encouraging readers to go through the examples and adapt the procedures to their own problems. Focusing on the practicality of the methods and the validity of the results, this book offers concise mathematical descriptions of many multivariate methods and employs graphical schemes to visualize key concepts. It effectively imparts a basic understanding of how to apply statistical methods to multivariate scientific data.
Release

Practical Statistics for the Analytical Scientist

A Bench Guide

Author: S. L. R. Ellison,Trevor J. Farrant,Vicki Barwick

Publisher: Royal Society of Chemistry

ISBN: 0854041311

Category: Science

Page: 268

View: 5467

"Completely revised and updated, the second edition contains new sections on method validation, measurement uncertainty, effective experimental design and proficiency testing."--pub. desc.
Release

Chemometrics in Spectroscopy

Author: Howard Mark,Jerry Workman, Jr.

Publisher: Academic Press

ISBN: 0128053305

Category: Science

Page: 1090

View: 6222

Chemometrics in Spectroscopy, Second Edition, provides the reader with the methodology crucial to apply chemometrics to real world data. It allows scientists using spectroscopic instruments to find explanations and solutions to their problems when they are confronted with unexpected and unexplained results. Unlike other books on these topics, it explains the root causes of the phenomena that lead to these results. While books on NIR spectroscopy sometimes cover basic chemometrics, they do not mention many of the advanced topics this book discusses. In addition, traditional chemometrics books do not cover spectroscopy to the point of understanding the basis for the underlying phenomena. The second edition has been expanded with 50% more content covering advances in the field that have occurred in the last 10 years, including calibration transfer, units of measure in spectroscopy, principal components, clinical data reporting, classical least squares, regression models, spectral transfer, and more. Written in the column format of the authors’ online magazine Presents topical and important chapters for those involved in analysis work, both research and routine Focuses on practical issues in the implementation of chemometrics for NIR Spectroscopy Includes a companion website with 350 additional color figures that illustrate CLS concepts
Release

Chemometrics

Data Driven Extraction for Science

Author: Richard G. Brereton

Publisher: John Wiley & Sons

ISBN: 1118904680

Category: Science

Page: 464

View: 4948

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.
Release

Comprehensive Chemometrics

Chemical and Biochemical Data Analysis

Author: Steven D. Brown

Publisher: Elsevier

ISBN: 9780444527011

Category: Science

Page: 2896

View: 4663

Designed to serve as the first point of reference on the subject, Comprehensive Chemometrics presents an integrated summary of the present state of chemical and biochemical data analysis and manipulation. The work covers all major areas ranging from statistics to data acquisition, analysis, and applications. This major reference work provides broad-ranging, validated summaries of the major topics in chemometrics—with chapter introductions and advanced reviews for each area. The level of material is appropriate for graduate students as well as active researchers seeking a ready reference on obtaining and analyzing scientific data. Features the contributions of leading experts from 21 countries, under the guidance of the Editors-in-Chief and a team of specialist Section Editors: L. Buydens; D. Coomans; P. Van Espen; A. De Juan; J.H. Kalivas; B.K. Lavine; R. Leardi; R. Phan-Tan-Luu; L.A. Sarabia; and J. Trygg Examines the merits and limitations of each technique through practical examples and extensive visuals: 368 tables and more than 1,300 illustrations (750 in full color) Integrates coverage of chemical and biological methods, allowing readers to consider and test a range of techniques Consists of 2,200 pages and more than 90 review articles, making it the most comprehensive work of its kind Offers print and online purchase options, the latter of which delivers flexibility, accessibility, and usability through the search tools and other productivity-enhancing features of ScienceDirect
Release

Data Analysis for Chemistry

An Introductory Guide for Students and Laboratory Scientists

Author: Professor of Analytical Chemistry D Brynn Hibbert,D. Brynn Hibbert,J. Justin Gooding

Publisher: OUP USA

ISBN: 9780195162103

Category: Science

Page: 177

View: 7898

Covers topics including measurements, means and confidence intervals, hypothesis testing, analysis of variance, and calibration models. The end result is a compromise between recipes of how to perform different aspects of data analysis and basic information on the background principles behind the recipes to be performed.
Release

Chemometrics for Pattern Recognition

Author: Richard G. Brereton

Publisher: John Wiley & Sons

ISBN: 9780470746479

Category: Science

Page: 522

View: 4158

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.
Release

Statistics for the Quality Control Chemistry Laboratory

Author: Eamonn Mullins

Publisher: Royal Society of Chemistry

ISBN: 1847551939

Category: Education

Page: 474

View: 6973

Statistical methods are essential tools for analysts, particularly those working in Quality Control Laboratories. This book provides a sound introduction to their use in analytical chemistry, without requiring a strong mathematical background. It emphasises simple graphical methods of data analysis, such as control charts, which are also a fundamental requirement in laboratory accreditation. A large part of the book is concerned with the design and analysis of laboratory experiments, including sample size determination. Practical case studies and many real databases from both QC laboratories and the research literature, are used to illustrate the ideas in action. The aim of Statistics for the Quality Control Chemistry Laboratory is to give the reader a strong grasp of the concept of statistical variation in laboratory data and of the value of simple statistical ideas ad methods in thinking about and manipulation such data, It will be invaluable to analysts working in QC laboratories in industry, hospitals and public health, and will also be welcomed as a textbook for aspiring analysts in colleges and universities.
Release

Chemometrics

Mathematics and Statistics in Chemistry

Author: B.R. Kowalski

Publisher: Springer Science & Business Media

ISBN: 9401710260

Category: Science

Page: 485

View: 7180

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.
Release

Environmental Chemometrics

Principles and Modern Applications

Author: Grady Hanrahan

Publisher: CRC Press

ISBN: 1420067974

Category: Science

Page: 310

View: 7769

Multivariate, heterogeneous data has been traditionally analyzed using the "one at a time" variable approach, often missing the main objective of discovering the relationships among multiple variables and samples. Enter chemometrics, with its powerful tools for design, analysis, and data interpretation of complex environmental systems. Delineating the rigors of modern environmental analysis and how to effectively solve limitations through multivariate approaches, Environmental Chemometrics: Principles and Modern Applications provides an introduction and practical guide to chemometric methods used in environmental chemical analysis. The text begins with an overview of chemometrics in relation to quantitative environmental analysis and a review of descriptive statistical concepts. Building on this, the author covers environmental sampling considerations, experimental design and optimization techniques, multivariate analysis of environmental and chemical data sets, time series analysis, and quality assurance and method validation. Each chapter contains problem-oriented exercises and research applications from the author’s own work and from other experts in the field. The author’s presentation of the basic principles of these methods together with real applications in the field of environmental chemistry makes the comprehension of complex environmental problems and chemically-related concepts more accessible. He covers all major areas of environmental analysis backed by studies from experts in the field. The book is a valuable tool for understanding the rapidly developing world of chemometric methods in environmental analysis.
Release

Chemometrics in Analytical Spectroscopy

Author: Mike J Adams

Publisher: Royal Society of Chemistry

ISBN: 1847550487

Category: Science

Page: 238

View: 4457

Chemometrics in Analytical Spectroscopy 2nd Edition provides a tutorial approach to the development of chemometric techniques and their application to the interpretation of analytical spectroscopic data. From simple descriptive statistics to the more sophisticated modelling techniques of principal components analysis and partial least squares regression, this updated edition provides necessary background, enhanced by case studies. The extensive use of worked examples throughout gives Chemometrics in Analytical Spectroscopy 2nd Edition special relevance in teaching and introducing chemometrics to undergraduates and post-graduates. The book is also ideal for analysts with little specialist background. Extracts from reviews of 1st Edition: "Adams has succeeded in providing a text which is focused on analytical spectroscopy and that gently guides the reader through the concepts without recourse to too much matrix algebra." Trends in Analytical Chemistry "...a very good introductory text for those wishing to understand the workings of chemometrics techniques." The Analyst
Release

Chemometric Techniques for Quantitative Analysis

Author: Richard Kramer

Publisher: CRC Press

ISBN: 0824746384

Category: Science

Page: 220

View: 8459

Chemometric Techniques for Quantitative Analysis shows how to produce and use quantitative analytical calibrations in a laboratory or production environment following a variety of methods, how to estimate the time and resources needed to develop analytical calibrations, and how to employ the quantitative software provided with a wide range of instruments and commercial software packages. Among several, this bestselling volume covers basic and classical approaches, component regression; PCR in action; partial least squares; PLS in action. An extensive appendix offers a glossary, a list of errors and tests for reduced Eigenvalues.
Release

Statistics in Spectroscopy

Author: Howard Mark,Jerry Workman, Jr.

Publisher: Academic Press

ISBN: 0323137911

Category: Science

Page: 313

View: 7714

This tutorial offers a basic hands-on approach to statistical analysis for chemists and spectroscopists. Without involving complicated mathematics, this book is designed to provide the reader with the basic principles underlying the use of common mathematical and statistical tools. Particular emphasis has been given to problem-solving applications and the proper use and interpretation of spectroscopic data. With exercises throughout, this book is also suitable for use as a textbook in analytical chemistry, instrumental analysis, and statistics in chemistry courses. Key Features * Serves as a primer for all chemists who need to know more about statistical analysis * Explains the effect of error on data and how to make the correct interpretation * Written in a readable style with minimal mathematics * Developed from the popular series of the same name first published in Spectroscropy magazine
Release

Practical Guide To Chemometrics, Second Edition

Author: Paul Gemperline

Publisher: CRC Press

ISBN: 9781420018301

Category: Science

Page: 552

View: 3173

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.
Release

Chemometrics in Excel

Author: Alexey L. Pomerantsev

Publisher: John Wiley & Sons

ISBN: 1118873262

Category: Science

Page: 336

View: 3000

Providing an easy explanation of the fundamentals, methods, and applications of chemometrics • Acts as a practical guide to multivariate data analysis techniques • Explains the methods used in Chemometrics and teaches the reader to perform all relevant calculations • Presents the basic chemometric methods as worksheet functions in Excel • Includes Chemometrics Add In for download which uses Microsoft Excel® for chemometrics training • Online downloads includes workbooks with examples
Release

Chemometrics

From Basics to Wavelet Transform

Author: Foo-Tim Chau,Yi-Zeng Liang,Junbin Gao,Xue-Guang Shao

Publisher: John Wiley & Sons

ISBN: 9780471454731

Category: Science

Page: 316

View: 9308

Wavelet Transformations and Their Applications in Chemistry pioneers a new approach to classifying existing chemometric techniques for data analysis in one and two dimensions, using a practical applications approach to illustrating chemical examples and problems. Written in a simple, balanced, applications-based style, the book is geared to both theorists and non-mathematicians. This text emphasizes practical applications in chemistry. It employs straightforward language and examples to show the power of wavelet transforms without overwhelming mathematics, reviews other methods, and compares wavelets with other techniques that provide similar capabilities. It uses examples illustrated in MATLAB codes to assist chemists in developing applications, and includes access to a supplementary Web site providing code and data sets for work examples. Wavelet Transformations and Their Applications in Chemistry will prove essential to professionals and students working in analytical chemistry and process chemistry, as well as physical chemistry, spectroscopy, and statistics.
Release

Applied Chemometrics for Scientists

Author: Richard G. Brereton

Publisher: John Wiley & Sons

ISBN: 0470057777

Category: Science

Page: 396

View: 4042

The book introduces most of the basic tools of chemometrics including experimental design, signal analysis, statistical methods for analytical chemistry and multivariate methods. It then discusses a number of important applications including food chemistry, biological pattern recognition, reaction monitoring, optimisation of processes, medical applications. The book arises from a series of short articles that have been developed over four years on Chemweb (www.chemweb.com).
Release