Practical Data Analysis in Chemistry

Practical Data Analysis in Chemistry PDF Author: Marcel Maeder
Publisher: Elsevier
ISBN: 0080548830
Category : Mathematics
Languages : en
Pages : 341

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Book Description
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

Practical Data Analysis in Chemistry

Practical Data Analysis in Chemistry PDF Author: Marcel Maeder
Publisher: Elsevier
ISBN: 0080548830
Category : Mathematics
Languages : en
Pages : 341

Get Book Here

Book Description
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

Statistical Analysis Methods for Chemists PDF Author: William P Gardiner
Publisher: Royal Society of Chemistry
ISBN: 1847551920
Category : Science
Languages : en
Pages : 390

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Book Description
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 in a GMP Environment

Analytical Chemistry in a GMP Environment PDF Author: James M. Miller
Publisher: Wiley-Interscience
ISBN:
Category : Medical
Languages : en
Pages : 520

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Book Description
Based on the Laboratory Analyst Training and Certification Program ... chemists from a range of pharmaceutical companies and a few academic laboratories explain how to comply with the US Food and Drug Administration's Good Manufacturing Practice rules as analytical technologies are changing rapidly .... Among the topics are the drug development process, uniform and consistent interpretation of compliance issues, the role of statistics and basic topics in analytical chemistry, and detectors and quantitative analysis. The emphasis is on high-performance liquid chromatographic methods.

Compositional Data Analysis in Practice

Compositional Data Analysis in Practice PDF Author: Michael Greenacre
Publisher: CRC Press
ISBN: 042984901X
Category : Business & Economics
Languages : en
Pages : 117

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Book Description
Compositional data are quantitative descriptions of the parts of some whole, conveying exclusively relative information. Examples are found in various fields, including geology, medicine, chemistry, agriculture, economics, social science, etc. This concise book presents a very applied introduction to compositional data analysis, focussing on the use of R for analysis. It includes lots of real examples, code snippets, and colour figures, to illustrate the methods.

Statistical Methods in Analytical Chemistry

Statistical Methods in Analytical Chemistry PDF Author: Peter C. Meier
Publisher: John Wiley & Sons
ISBN: 0471726117
Category : Science
Languages : en
Pages : 452

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Book Description
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

Practical Text Mining and Statistical Analysis for Non-structured Text Data Applications

Practical Text Mining and Statistical Analysis for Non-structured Text Data Applications PDF Author: Gary Miner
Publisher: Academic Press
ISBN: 012386979X
Category : Computers
Languages : en
Pages : 1096

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Book Description
"The world contains an unimaginably vast amount of digital information which is getting ever vaster ever more rapidly. This makes it possible to do many things that previously could not be done: spot business trends, prevent diseases, combat crime and so on. Managed well, the textual data can be used to unlock new sources of economic value, provide fresh insights into science and hold governments to account. As the Internet expands and our natural capacity to process the unstructured text that it contains diminishes, the value of text mining for information retrieval and search will increase dramatically. This comprehensive professional reference brings together all the information, tools and methods a professional will need to efficiently use text mining applications and statistical analysis. The Handbook of Practical Text Mining and Statistical Analysis for Non-structured Text Data Applications presents a comprehensive how- to reference that shows the user how to conduct text mining and statistically analyze results. In addition to providing an in-depth examination of core text mining and link detection tools, methods and operations, the book examines advanced preprocessing techniques, knowledge representation considerations, and visualization approaches. Finally, the book explores current real-world, mission-critical applications of text mining and link detection using real world example tutorials in such varied fields as corporate, finance, business intelligence, genomics research, and counterterrorism activities"--

Practical Skills in Chemistry

Practical Skills in Chemistry PDF Author: John Dean
Publisher: Pearson Higher Ed
ISBN: 1292139935
Category : Science
Languages : en
Pages : 657

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Book Description
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.

Comprehensive Chemometrics

Comprehensive Chemometrics PDF Author:
Publisher: Elsevier
ISBN: 044452701X
Category : Science
Languages : en
Pages : 2880

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Book Description
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

A Practical Guide to Scientific Data Analysis PDF Author: David J. Livingstone
Publisher: John Wiley & Sons
ISBN: 047068481X
Category : Science
Languages : en
Pages : 358

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Book Description
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.

Mathematical Processing of Spectral Data in Analytical Chemistry

Mathematical Processing of Spectral Data in Analytical Chemistry PDF Author: Joseph Dubrovkin
Publisher: Cambridge Scholars Publishing
ISBN: 1527526666
Category : Science
Languages : en
Pages : 379

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Book Description
This book will appeal to both practitioners and researchers in industrial and university analytical laboratories, as well as students specializing in analytical spectroscopy and chemometrics. The subjects covered include the advanced principles of calibration (univariate and multivariate) and the estimation of the peak parameters in spectra with overlapping components. This book differs from existing studies on the subject in that it provides easily reproducible computer calculations illustrating its significant theoretical statements. As such, it can also serve as a practical guide to lecturers in analytical spectrometry and chemometrics.