Practical Data Analysis in Chemistry

Practical Data Analysis in Chemistry PDF

Author: Marcel Maeder

Publisher: Elsevier

Published: 2007-08-10

Total Pages: 340

ISBN-13: 9780080548838

DOWNLOAD EBOOK →

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

Data Analysis for Chemistry

Data Analysis for Chemistry PDF

Author: D. Brynn Hibbert

Publisher: OUP USA

Published: 2006

Total Pages: 192

ISBN-13: 0195162102

DOWNLOAD EBOOK →

Annotation. Definitions, Questions, and Useful Functions: Where to Find Things and What To Do1. Introduction2. Describing Data3. Hypothesis Testing4. Analysis of Variance5. Calibration.

Statistical Methods in Analytical Chemistry

Statistical Methods in Analytical Chemistry PDF

Author: Peter C. Meier

Publisher: John Wiley & Sons

Published: 2005-03-04

Total Pages: 452

ISBN-13: 0471726117

DOWNLOAD EBOOK →

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

A Practical Guide to Scientific Data Analysis

A Practical Guide to Scientific Data Analysis PDF

Author: David J. Livingstone

Publisher: John Wiley & Sons

Published: 2009-12-10

Total Pages: 358

ISBN-13: 047068481X

DOWNLOAD EBOOK →

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.

Comprehensive Chemometrics

Comprehensive Chemometrics PDF

Author:

Publisher: Elsevier

Published: 2009-03-09

Total Pages: 2880

ISBN-13: 044452701X

DOWNLOAD EBOOK →

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

Practical Statistics for the Analytical Scientist

Practical Statistics for the Analytical Scientist PDF

Author: Peter Bedson

Publisher: Royal Society of Chemistry

Published: 2021-04-08

Total Pages: 385

ISBN-13: 1839164433

DOWNLOAD EBOOK →

Analytical chemists must use a range of statistical tools in their treatment of experimental data to obtain reliable results. Practical Statistics for the Analytical Scientist is a manual designed to help them negotiate the daunting specialist terminology and symbols. Prepared in conjunction with the Department of Trade and Industry's Valid Analytical Measurement (VAM) programme, this volume covers the basic statistics needed in the laboratory. It describes the statistical procedures that are most likely to be required including summary and descriptive statistics, calibration, outlier testing, analysis of variance and basic quality control procedures. To improve understanding, many examples provide the user with material for consolidation and practice. The fully worked answers are given both to check the correct application of the procedures and to provide a template for future problems. Practical Statistics for the Analytical Scientist will be welcomed by practising analytical chemists as an important reference for day to day statistics in analytical chemistry.

Statistical Analysis Methods for Chemists

Statistical Analysis Methods for Chemists PDF

Author: William P Gardiner

Publisher: Royal Society of Chemistry

Published: 2007-10-31

Total Pages: 390

ISBN-13: 1847551920

DOWNLOAD EBOOK →

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.

Analytical Chemistry

Analytical Chemistry PDF

Author: E. Hywel Evans

Publisher: Oxford University Press

Published: 2019

Total Pages: 275

ISBN-13: 019965171X

DOWNLOAD EBOOK →

Analytical Chemistry: A Practical Approach is the only chemical analysis text with an emphasis on active learning, giving students step-by-step guidance on how the key principles of analytical science are applied in a range of practical, real-world contexts.

Practical Skills in Chemistry

Practical Skills in Chemistry PDF

Author: John Dean

Publisher: Pearson Higher Ed

Published: 2017-05-25

Total Pages: 657

ISBN-13: 1292139935

DOWNLOAD EBOOK →

Practical skills form the cornerstone of chemistry. However, the diversity of skills required in the laboratory means that a student’s experience may be limited. While some techniques do require specific skills, many of them are transferable generic skills that are required throughout the subject area. Limited time constraints of the modern curriculum often preclude or minimise laboratory time. Practical Skills in Chemistry 3rd edition provides a general guidance for use in and out of practical sessions, covering a range of techniques from the basic to the more advanced. This ‘one-stop’ text will guide you through the wide range of practical, analytical and data handling skills that you will need during your studies. It will also give you a solid grounding in wider transferable skills such as teamwork, using information technology, communicating information and study skills. This edition has been enhanced and updated throughout to provide a complete and easy-to-read guide to the developing skills required from your first day through to graduation, further strengthening its reputation as the practical resource for students of chemistry and related discipline areas.

Compositional Data Analysis in Practice

Compositional Data Analysis in Practice PDF

Author: Michael Greenacre

Publisher: CRC Press

Published: 2018-07-17

Total Pages: 120

ISBN-13: 042984901X

DOWNLOAD EBOOK →

Compositional Data Analysis in Practice is a user-oriented practical guide to the analysis of data with the property of a constant sum, for example percentages adding up to 100%. Compositional data can give misleading results if regular statistical methods are applied, and are best analysed by first transforming them to logarithms of ratios. This book explains how this transformation affects the analysis, results and interpretation of this very special type of data. All aspects of compositional data analysis are considered: visualization, modelling, dimension-reduction, clustering and variable selection, with many examples in the fields of food science, archaeology, sociology and biochemistry, and a final chapter containing a complete case study using fatty acid compositions in ecology. The applicability of these methods extends to other fields such as linguistics, geochemistry, marketing, economics and finance. R Software The R package easyCODA, which accompanies this book, can be downloaded from R-Forge as follows: install.packages("easyCODA", repos="") and will be available on CRAN soon. Notice that the R packages ca and vegan also have to be installed (from CRAN in the usual way).