Data Fitting In The Chemical Sciences
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Data Fitting In The Chemical Sciences
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Author : Peter Gans
language : en
Publisher: John Wiley & Sons
Release Date : 1992-07-27
Data Fitting In The Chemical Sciences written by Peter Gans and has been published by John Wiley & Sons this book supported file pdf, txt, epub, kindle and other format this book has been release on 1992-07-27 with Mathematics categories.
Data Fitting in the Chemical Sciences Peter Gans, School of Chemistry, The University of Leeds, Leeds, UK Data fitting is a technique of central importance in modern experimental science. It is the means by which data is tested against a model of the experimental system, be it a theoretical or empirical model. In this book an all-round approach is adopted in which the first stage of data-fitting is seen as data collection, the second is numerical processing and the third a critical evaluation of the 'goodness' of fit in both statistical and common sense terms. Each stage is considered in detail: the sources and nature of experimental errors; the theory of least-squares fitting; probability theory; hypothesis testing, and the application of scientific criteria. The theory is complemented by three chapters on a wide range of applications. The emphasis of this book is on methodology: why certain procedures are preferred rather than how any one procedure is implemented. The author aims to assist people in extracting from their data its full information content, i.e. to use their data, not abuse it.
Practical Data Analysis In Chemistry
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Author : Marcel Maeder
language : en
Publisher: Elsevier
Release Date : 2007-08-10
Practical Data Analysis In Chemistry written by Marcel Maeder and has been published by Elsevier this book supported file pdf, txt, epub, kindle and other format this book has been release on 2007-08-10 with Science categories.
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 Curve Fitting And Data Analysis
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Author : Joseph H. Noggle
language : en
Publisher: Prentice Hall
Release Date : 1993
Practical Curve Fitting And Data Analysis written by Joseph H. Noggle and has been published by Prentice Hall this book supported file pdf, txt, epub, kindle and other format this book has been release on 1993 with Computers categories.
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.
Data Analysis For The Chemical Sciences
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Author : Richard C. Graham
language : en
Publisher:
Release Date : 1993
Data Analysis For The Chemical Sciences written by Richard C. Graham and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 1993 with Chemistry categories.
Computational Methods In The Chemical Sciences
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Author : A. F. Carley
language : en
Publisher:
Release Date : 1989
Computational Methods In The Chemical Sciences written by A. F. Carley and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 1989 with Cheminformatics categories.
A text/reference covering vector/matrix calculations, least squares data fitting, interpolation and numerical solutions of differential equations. Numerical examples of a chemical nature are included and results are derived rather than quoted (where feasible). Assumes little prior mathematical knowledge beyond that required for a beginning physics course. Computer listings in BASIC are included. Annotation copyrighted by Book News, Inc., Portland, OR
Data Analysis For Chemistry
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Author : D. Brynn Hibbert
language : en
Publisher: Oxford University Press
Release Date : 2005-10-27
Data Analysis For Chemistry written by D. Brynn Hibbert and has been published by Oxford University Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2005-10-27 with Science categories.
Chemical data analysis, with aspects of metrology in chemistry and chemometrics, is an evolving discipline where new and better ways of doing things are constantly being developed. This book makes data analysis simple by demystifying the language and whenever possible giving unambiguous ways of doing things. Based on author D. Brynn Hibberts lectures on data analysis to undergraduates and graduate students, Data Analysis for Chemistry 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. An entry level book targeted at learning and teaching undergraduate data analysis, Data Analysis for Chemistry makes it easy for readers to find the information they are seeking to perform the data analysis they think they need.
Chemometrics
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Author : Richard G. Brereton
language : en
Publisher: John Wiley & Sons
Release Date : 2018-03-13
Chemometrics written by Richard G. Brereton and has been published by John Wiley & Sons this book supported file pdf, txt, epub, kindle and other format this book has been release on 2018-03-13 with Science categories.
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.
Multi Way Analysis
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Author : Age Smilde
language : en
Publisher: Wiley
Release Date : 2005-06-10
Multi Way Analysis written by Age Smilde and has been published by Wiley this book supported file pdf, txt, epub, kindle and other format this book has been release on 2005-06-10 with Science categories.
This book is an introduction to the field of multi-way analysis for chemists and chemometricians. Its emphasis is on the ideas behind the method and its pratical applications. Sufficient mathematical background is given to provide a solid understanding of the ideas behind the method. There are currently no other books on the market which deal with this method from the viewpoint of its applications in chemistry. Applicable in many areas of chemistry. No comparable volume currently available. The field is becoming increasingly important.
Chemometrics
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Author : Muhammad A. Sharaf
language : en
Publisher: John Wiley & Sons
Release Date : 1986-03-28
Chemometrics written by Muhammad A. Sharaf and has been published by John Wiley & Sons this book supported file pdf, txt, epub, kindle and other format this book has been release on 1986-03-28 with Science categories.
Uses mathematical and statistical techniques to extract trends from chemical analysis. Introduces scientists to powerful new tools that will allow them to obtain massive amounts of data from computer-controlled instrumentation and then extract the information they need. Chapter sequence leads the reader through a sample analysis to resolution and pattern recognition. First introductory text on the relatively new field.
The Handling Of Chemical Data
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Author : P. D. Lark
language : en
Publisher: Elsevier
Release Date : 2013-10-22
The Handling Of Chemical Data written by P. D. Lark and has been published by Elsevier this book supported file pdf, txt, epub, kindle and other format this book has been release on 2013-10-22 with Mathematics categories.
The Handling of Chemical Data deals with how measurements, such as those arrived at from chemical experimentation, are handled. The book discusses the different kinds of measurements and their specific dimensional characteristics by starting with the origin and presentation of chemical data. The text explains the units, fixed points, and relationships found between scales, the concept of dimensions, the presentation of quantitative data (whether in a tabular or graphical form), and some uses of empirical equations. The book also explains the relationship between two variables, and how equations such as fitting the least square lines can be applied. The text explains how the simple regression and the correlations models can be modified in three ways depending on the complexities present while studying experimental data. When data are reduced to equation form, ancillary operations — interpolation, integration, and differentiation — become useful for more precise presentation and understanding of the experimental data. The book notes the importance of smoothing or adjustment as a procedure to eliminate the effects of random error through application of the direct methods, difference methods, and the least squares method for equally space values. The text then addresses the dimensional analysis in physico-chemical problems and discusses the different dimensions (time, mass, force, energy, and temperature) that can affect systems. Researchers who are time-constrained or equipped with only fundamental training and knowledge of statistical analysis will find this book helpful. It can also be read by students of advanced mathematics and statistical analysis.