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Statistical Design-Chemometrics is applicable to researchers and professionals who wish to perform experiments in chemometrics and carry out analysis of the data in the most efficient way possible. The language is clear, direct and oriented towards real applications. The book provides 106 exercises with answers to accompany the study of theoretical principles. Forty two cases studies with real data are presented showing designs and the complete statistical analyses for problems in the areas chromatography, electroanalytical and electrochemistry, calibration, polymers, gas adsorption, semiconductors, food technology, biotechnology, photochemistry, catalysis, detergents and ceramics. These studies serve as a guide that the reader can use to perform correct data analyses.-Provides 42 case studies containing step-by-step descriptions of calculational procedures that can be applied to most real optimization problems-Contains 106 theoretical exercises to test individual learning and to provide classroom exercises and material for written tests and exams-Written in a language that facilitates learning for physical and biological scientists and engineers-Takes a practical approach for those involved in industrial optimization problems
Data Fusion Methodology and Applications explores the data-driven discovery paradigm in science and the need to handle large amounts of diverse data. Drivers of this change include the increased availability and accessibility of hyphenated analytical platforms, imaging techniques, the explosion of omics data, and the development of information technology. As data-driven research deals with an inductive attitude that aims to extract information and build models capable of inferring the underlying phenomena from the data itself, this book explores the challenges and methodologies used to integrate data from multiple sources, analytical platforms, different modalities, and varying timescales. - Presents the first comprehensive textbook on data fusion, focusing on all aspects of data-driven discovery - Includes comprehensible, theoretical chapters written for large and diverse audiences - Provides a wealth of selected application to the topics included
Now available in a paperback edition is a book which has been described as ``...an exceptionally lucid, easy-to-read presentation... would be an excellent addition to the collection of every analytical chemist. I recommend it with great enthusiasm.'' (Analytical Chemistry). Unlike most current textbooks, it approaches experimental design from the point of view of the experimenter, rather than that of the statistician. As the reviewer in `Analytical Chemistry' went on to say: ``Deming and Morgan should be given high praise for bringing the principles of experimental design to the level of the practicing analytical chemist.''.The book first introduces the reader to the fundamentals of experimental design. Systems theory, response surface concepts, and basic statistics serve as a basis for the further development of matrix least squares and hypothesis testing. The effects of different experimental designs and different models on the variance-covariance matrix and on the analysis of variance (ANOVA) are extensively discussed. Applications and advanced topics (such as confidence bands, rotatability, and confounding) complete the text. Numerous worked examples are presented.The clear and practical approach adopted by the authors makes the book applicable to a wide audience. It will appeal particularly to those with a practical need (scientists, engineers, managers, research workers) who have completed their formal education but who still need to know efficient ways of carrying out experiments. It will also be an ideal text for advanced undergraduate and graduate students following courses in chemometrics, data acquisition and treatment, and design of experiments.
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
Hyperspectral Imaging, Volume 32, presents a comprehensive exploration of the different analytical methodologies applied on hyperspectral imaging and a state-of-the-art analysis of applications in different scientific and industrial areas. This book presents, for the first time, a comprehensive collection of the main multivariate algorithms used for hyperspectral image analysis in different fields of application. The benefits, drawbacks and suitability of each are fully discussed, along with examples of their application. Users will find state-of-the art information on the machinery for hyperspectral image acquisition, along with a critical assessment of the usage of hyperspectral imaging in diverse scientific fields. - Provides a comprehensive roadmap of hyperspectral image analysis, with benefits and considerations for each method discussed - Covers state-of-the-art applications in different scientific fields - Discusses the implementation of hyperspectral devices in different environments
The chapter describes the motivation behind the book and introduces the role of chemometrics in food quality control and authentication. A brief description of the structure of the monograph is also provided.
This book gives an overview of the numerical data analysis and signal treatment techniques that are used in chromatography and related separation techniques. Emphasis is given to the description of the symmetrical and asymmetrical chromatographic peak shape models. Both theoretical and empirical models are discussed.The fundamentals of data acquisition, types and effect of baseline noise, and methods of improving the signal-to-noise ratio (either in time or in frequency and wavelet domain) are thoroughly discussed. Resolution enhancement techniques, such as curve fitting, deconvolution by Fourier and wavelet transforms, iterative deconvolution, Kalman filtering and multivariate methods of curve resolution are all discussed with several chromatographic examples. Quantitative analysis by peak area of peak height measurement, the precision and accuracy of the quantitation of stand-alone or overlapping and symmetrical or asymmetrical peaks are treated. In a separate chapter, guidelines are given for the use of transform techniques for the analysis of chromatograms. A statistical description of peak overlap is given in the final chapters. Since the concept of resolution has to be reconsidered when one separates complex mixtures, the problem of resolution and overlap is quantitatively discussed by means of statistical methods, and by using Fourier analysis of the complex chromatogram.Features of this book• The ultimate source of numerical techniques to enhance chromatographic data• Gives a detailed description of signal and resolution enhancement techniques in a manner applicable for enhancing not only chromatography, but also spectroscopic and other analytical signals• The first book with a thorough overview of the statistics of peak overlap.This is the first volume to encompass both the simple and more sophisticated methods for the numerical treatment of chromatograms. It is, therefore, the fundamental resource of numerical analysis methods for every analyst.
Fundamentals and Analytical Applications of Multi-Way Calibration presents researchers with a set of effective tools they can use to obtain the maximum information from instrumental data. It includes the most advanced techniques, methods, and algorithms related to multi-way calibration and the ways they can be applied to solve actual analytical problems. This book provides a comprehensive coverage of the main aspects of multi-way analysis, including fundamentals and selected applications of chemometrics that can resolve complex analytical chemistry problems through the use of multi-way calibration. Includes the most advanced techniques, methods, and algorithms related to multi-way calibration and the ways they can be applied to solve actual analytical problems Presents researchers with a set of effective tools they can use to obtain the maximum information from instrumental data Provides comprehensive coverage of the main aspects of multi-way analysis, including fundamentals and selected applications of chemometrics
Dealing with the volume, complexity, and diversity of data currently being generated by scientific experiments and simulations often causes scientists to waste productive time. Scientific Data Management: Challenges, Technology, and Deployment describes cutting-edge technologies and solutions for managing and analyzing vast amounts of data, helping scientists focus on their scientific goals. The book begins with coverage of efficient storage systems, discussing how to write and read large volumes of data without slowing the simulation, analysis, or visualization processes. It then focuses on the efficient data movement and management of storage spaces and explores emerging database systems for scientific data. The book also addresses how to best organize data for analysis purposes, how to effectively conduct searches over large datasets, how to successfully automate multistep scientific process workflows, and how to automatically collect metadata and lineage information. This book provides a comprehensive understanding of the latest techniques for managing data during scientific exploration processes, from data generation to data analysis. Enhanced by numerous detailed color images, it includes real-world examples of applications drawn from biology, ecology, geology, climatology, and more. Check out Dr. Shoshani discuss the book during an interview with International Science Grid This Week (iSGTW): http: //www.isgtw.org/?pid=1002259
The scope of image processing and recognition has broadened due to the gap in scientific visualization. Thus, new imaging techniques have developed, and it is imperative to study this progression for optimal utilization. Big Data Analytics for Satellite Image Processing and Remote Sensing is a critical scholarly resource that examines the challenges and difficulties of implementing big data in image processing for remote sensing and related areas. Featuring coverage on a broad range of topics, such as distributed computing, parallel processing, and spatial data, this book is geared towards scientists, professionals, researchers, and academicians seeking current research on the use of big data analytics in satellite image processing and remote sensing.