statistics and chemometrics for analytical chemistry

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Statistics And Chemometrics For Analytical Chemistry

Author : James Miller
ISBN : 9781292186740
Genre : Science
File Size : 29. 33 MB
Format : PDF
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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.

Statistics For Analytical Chemistry

Author : Jane C. Miller
ISBN : 0138454213
Genre : Chemistry, Analytic
File Size : 20. 92 MB
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Chemometrics

Author : Matthias Otto
ISBN : 9783527699360
Genre : Science
File Size : 69. 37 MB
Format : PDF, Docs
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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.

Introduction To Multivariate Statistical Analysis In Chemometrics

Author : Kurt Varmuza
ISBN : 1420059491
Genre : Science
File Size : 51. 44 MB
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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.

Practical Statistics For The Analytical Scientist

Author : S. L. R. Ellison
ISBN : 9780854041312
Genre : Science
File Size : 86. 28 MB
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"Completely revised and updated, the second edition contains new sections on method validation, measurement uncertainty, effective experimental design and proficiency testing."--pub. desc.

Chemometrics

Author : Richard G. Brereton
ISBN : 9781118904688
Genre : Science
File Size : 77. 57 MB
Format : PDF
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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.

Chemometrics In Spectroscopy

Author : Howard Mark
ISBN : 9780128053300
Genre : Science
File Size : 85. 88 MB
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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

Chemometrics For Pattern Recognition

Author : Richard G. Brereton
ISBN : 0470746475
Genre : Science
File Size : 74. 89 MB
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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.

Comprehensive Chemometrics

Author : Steven D. Brown
ISBN : 044452701X
Genre : Science
File Size : 69. 13 MB
Format : PDF
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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

Data Analysis For Chemistry

Author : Professor of Analytical Chemistry D Brynn Hibbert
ISBN : 0195162102
Genre : Science
File Size : 80. 89 MB
Format : PDF
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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.

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