Practical Data Analysis in Chemistry

Author: Marcel Maeder
Publisher: Elsevier
ISBN: 9780080548838
Format: PDF, ePub, Mobi
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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

Statistical Analysis Methods for Chemists

Author: William P Gardiner
Publisher: Royal Society of Chemistry
ISBN: 1847551920
Format: PDF
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Many forms of chemical experimentation generate data needing analysis and interpretation in respect of the goals of the experiment and also the chemical factors which may influence the outcome. Statistical data analysis techniques provide the tools which enable a chemist to assess the information obtained from experiments. Statistical Analysis Methods for Chemists: A Software-based Approach aims to give a broad introduction to practical data analysis, and provides comprehensive coverage of basic statistical principles and reasoning. With practical examples, and integration of software output as the basis of data analysis, this useful book gives unique coverage of the statistical skills and techniques required in modern chemical experimentation. It will prove invaluable to students and researchers alike. Software update information is available from W Gardiner at [email protected] or fax +44 (0)141 331 3608. Please accompany requests for information with details of the software version to be used.

Statistical Methods in Analytical Chemistry

Author: Peter C. Meier
Publisher: John Wiley & Sons
ISBN: 0471726117
Format: PDF, ePub
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This new edition of a successful, bestselling book continues to provide you with practical information on the use of statistical methods for solving real-world problems in complex industrial environments. Complete with examples from the chemical and pharmaceutical laboratory and manufacturing areas, this thoroughly updated book clearly demonstrates how to obtain reliable results by choosing the most appropriate experimental design and data evaluation methods. Unlike other books on the subject, Statistical Methods in Analytical Chemistry, Second Edition presents and solves problems in the context of a comprehensive decision-making process under GMP rules: Would you recommend the destruction of a $100,000 batch of product if one of four repeat determinations barely fails the specification limit? How would you prevent this from happening in the first place? Are you sure the calculator you are using is telling the truth? To help you control these situations, the new edition: * Covers univariate, bivariate, and multivariate data * Features case studies from the pharmaceutical and chemical industries demonstrating typical problems analysts encounter and the techniques used to solve them * Offers information on ancillary techniques, including a short introduction to optimization, exploratory data analysis, smoothing and computer simulation, and recapitulation of error propagation * Boasts numerous Excel files and compiled Visual Basic programs-no statistical table lookups required! * Uses Monte Carlo simulation to illustrate the variability inherent in statistically indistinguishable data sets Statistical Methods in Analytical Chemistry, Second Edition is an excellent, one-of-a-kind resource for laboratory scientists and engineers and project managers who need to assess data reliability; QC staff, regulators, and customers who want to frame realistic requirements and specifications; as well as educators looking for real-life experiments and advanced students in chemistry and pharmaceutical science. From the reviews of Statistical Methods in Analytical Chemistry, First Edition: "This book is extremely valuable. The authors supply many very useful programs along with their source code. Thus, the user can check the authenticity of the result and gain a greater understanding of the algorithm from the code. It should be on the bookshelf of every analytical chemist."-Applied Spectroscopy "The authors have compiled an interesting collection of data to illustrate the application of statistical methods . . . including calibrating, setting detection limits, analyzing ANOVA data, analyzing stability data, and determining the influence of error propagation."-Clinical Chemistry "The examples are taken from a chemical/pharmaceutical environment, but serve as convenient vehicles for the discussion of when to use which test, and how to make sense out of the results. While practical use of statistics is the major concern, it is put into perspective, and the reader is urged to use plausibility checks."-Journal of Chemical Education "The discussion of univariate statistical tests is one of the more thorough I have seen in this type of book . . . The treatment of linear regression is also thorough, and a complete set of equations for uncertainty in the results is presented . . . The bibliography is extensive and will serve as a valuable resource for those seeking more information on virtually any topic covered in the book."-Journal of American Chemical Society "This book treats the application of statistics to analytical chemistry in a very practical manner. [It] integrates PC computing power, testing programs, and analytical know-how in the context of good manufacturing practice/good laboratory practice (GMP/GLP) . . .The book is of value in many fields of analytical chemistry and should be available in all relevant libraries."-Chemometrics and Intelligent Laboratory Systems

Comprehensive Chemometrics

Author: Steven D. Brown
Publisher: Elsevier
ISBN: 9780444527011
Format: PDF, ePub
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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

A Practical Guide to Scientific Data Analysis

Author: David J. Livingstone
Publisher: John Wiley & Sons
ISBN: 047068481X
Format: PDF, ePub, Docs
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Inspired by the author's need for practical guidance in the processes of data analysis, A Practical Guide to Scientific Data Analysis has been written as a statistical companion for the working scientist. This handbook of data analysis with worked examples focuses on the application of mathematical and statistical techniques and the interpretation of their results. Covering the most common statistical methods for examining and exploring relationships in data, the text includes extensive examples from a variety of scientific disciplines. The chapters are organised logically, from planning an experiment, through examining and displaying the data, to constructing quantitative models. Each chapter is intended to stand alone so that casual users can refer to the section that is most appropriate to their problem. Written by a highly qualified and internationally respected author this text: Presents statistics for the non-statistician Explains a variety of methods to extract information from data Describes the application of statistical methods to the design of “performance chemicals” Emphasises the application of statistical techniques and the interpretation of their results Of practical use to chemists, biochemists, pharmacists, biologists and researchers from many other scientific disciplines in both industry and academia.

Practical curve fitting and data analysis

Author: Joseph H. Noggle
Publisher: Prentice Hall
ISBN:
Format: PDF, Docs
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This guide focuses on how to make graphs and abstract physical information from data using a personal computer. This tutorial program/book package covers the elements of curve fitting and statistical treatment of data and numerical analysis. Taking a step-by-step approach, the book, the program, and the accompanying data files are designed to demonstrate common errors and pitfalls. It contains examples from analytical chemistry, chemical engineering and biochemistry. For those engineers and/or scientists who want to easily make graphs and plot physical information from data with a microcomputer.

Sampling and Analysis of Environmental Chemical Pollutants

Author: E. P. Popek
Publisher: Elsevier
ISBN: 0128032030
Format: PDF, ePub
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Sampling and Analysis of Environmental Chemical Pollutants, A Complete Guide, Second Edition promotes the knowledge of data collection fundamentals and offers technically solid procedures and basic techniques that can be applied to daily workflow solutions. The book’s organization emphasizes the practical issues facing the project scientist. In focusing the book on data collection techniques that are oriented toward the project objectives, the author clearly distinguishes the important issues from the less relevant ones. Stripping away the layers of inapplicable or irrelevant recommendations, the book centers on the underlying principles of environmental sampling and analytical chemistry and summarizes the universally accepted industry practices and standards. This Guide is a resource that will help students and practicing professionals alike better understand the issues of environmental data collection, capitalize on years of existing sampling and analysis practices, and become more knowledgeable and efficient in the task at hand. The three phases of environmental chemical data collection (planning, implementation, and assessment) are explained in a logical and concise manner. A discussion on the physical and chemical properties of environmental chemical pollutants promotes the understanding of their fate and transport. A chapter on common analytical chemistry techniques, methods of compound quantitation, and laboratory quality control and quality assurance may be used as a standalone introduction to instrumental analytical chemistry. Eleven case studies demonstrate the application of the Data Quality Objectives process to the development of sampling designs and illustrate specific data interpretation problems. Numerous call-out boxes in each chapter offer practical tips on widely used industry practices, which originate from years of experience in the field. Appendices contain the most frequently used action levels and reference material, calculation aides, and useful field forms and checklists. Authored by an analytical chemist and environmental pollutant expert with more than 30 years of experience in research and industry.

Chemometrics

Author: Richard G. Brereton
Publisher: John Wiley & Sons
ISBN: 1118904680
Format: PDF, Kindle
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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.

Statistical methods in analytical chemistry

Author: Peter C. Meier
Publisher: Wiley-Interscience
ISBN:
Format: PDF, Docs
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"This book treats the application of statistics to analytical chemistry in a very practical manner. [It] integrates PC computing power, testing programs, and analytical know-how in the context of good manufacturing practice/good laboratory practice (GMP/GLP) . . .The book is of value in many fields of analytical chemistry and should be available in all relevant libraries."-Chemometrics and Intelligent Laboratory Systems

Data Analysis

Author: Siegmund Brandt
Publisher: Springer Science & Business Media
ISBN: 3319037625
Format: PDF, ePub, Docs
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The fourth edition of this successful textbook presents a comprehensive introduction to statistical and numerical methods for the evaluation of empirical and experimental data. Equal weight is given to statistical theory and practical problems. The concise mathematical treatment of the subject matter is illustrated by many examples and for the present edition a library of Java programs has been developed. It comprises methods of numerical data analysis and graphical representation as well as many example programs and solutions to programming problems. The book is conceived both as an introduction and as a work of reference. In particular it addresses itself to students, scientists and practitioners in science and engineering as a help in the analysis of their data in laboratory courses, in working for bachelor or master degrees, in thesis work, and in research and professional work.