Data Analytics in Spectroscopy

Data Analytics in Spectroscopy

Author: Joseph Dubrovkin

Publisher: Cambridge Scholars Publishing

Published: 2024-02-06

Total Pages: 511

ISBN-13: 1527580377

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This textbook summarizes various studies and significant materials on data analytics in spectroscopy. Its rigorous mathematical basis, in-depth description, and numerous examples of applications in chemistry and physics make this book valuable for theorists, practitioners, and students specializing in data processing in spectroscopy, chemometrics, and analytical chemistry. The bibliography briefly describes hundreds of data analytics applications for solving spectroscopic tasks in industrial and research laboratories. This book differs from existing brief reviews and articles on this topic in that it forms, for the first time, the big picture of all kinds of data analytics methods in spectroscopy. The book also provides quickly reproducible computer calculations to illustrate its significant theoretical statements. As such, it can also serve as a practical guide to lecturers in data analytics in the broad field of spectroscopy, including chemometrics and analytical chemistry.


Chemometrics in Spectroscopy

Chemometrics in Spectroscopy

Author: Howard Mark

Publisher: Academic Press

Published: 2018-07-13

Total Pages: 1092

ISBN-13: 0128053305

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Chemometrics in Spectroscopy, Second Edition, provides the reader with the methodology crucial to apply chemometrics to real world data. It allows scientists using spectroscopic instruments to find explanations and solutions to their problems when they are confronted with unexpected and unexplained results. Unlike other books on these topics, it explains the root causes of the phenomena that lead to these results. While books on NIR spectroscopy sometimes cover basic chemometrics, they do not mention many of the advanced topics this book discusses. In addition, traditional chemometrics books do not cover spectroscopy to the point of understanding the basis for the underlying phenomena. The second edition has been expanded with 50% more content covering advances in the field that have occurred in the last 10 years, including calibration transfer, units of measure in spectroscopy, principal components, clinical data reporting, classical least squares, regression models, spectral transfer, and more. - Written in the column format of the authors' online magazine - Presents topical and important chapters for those involved in analysis work, both research and routine - Focuses on practical issues in the implementation of chemometrics for NIR Spectroscopy - Includes a companion website with 350 additional color figures that illustrate CLS concepts


Concise Handbook Of Analytical Spectroscopy, The: Theory, Applications, And Reference Materials (In 5 Volumes)

Concise Handbook Of Analytical Spectroscopy, The: Theory, Applications, And Reference Materials (In 5 Volumes)

Author: Jerome (Jerry) James Workman, Jr

Publisher: World Scientific

Published: 2016-06-17

Total Pages: 1824

ISBN-13: 9814508071

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The concept of improving the use of electromagnetic energy to achieve a variety of qualitative and quantitative spectroscopic measurements on solid and liquid materials has been proliferating at a rapid rate. The use of such technologies to measure chemical composition, appearance, for classification, and to achieve detailed understanding of material interactions has prompted a dramatic expansion in the use and development of spectroscopic techniques over a variety of academic and commercial fields.The Concise Handbook of Analytical Spectroscopy is integrated into 5 volumes, each covering the theory, instrumentation, sampling methods, experimental design, and data analysis techniques, as well as essential reference tables, figures, and spectra for each spectroscopic region. The detailed practical aspects of applying spectroscopic tools for many of the most exciting and current applications are covered. Featured applications include: medical, biomedical, optical, physics, common commercial analysis methods, spectroscopic quantitative and qualitative techniques, and advanced methods.This multi-volume handbook is designed specifically as a reference tool for students, commercial development and quality scientists, and researchers or technologists in a variety of measurement endeavours.Number of Illustrations and Tables: 393 b/w illus., 304 colour illus, 413 tables.Related Link(s)


Quantitative Spectroscopy: Theory and Practice

Quantitative Spectroscopy: Theory and Practice

Author: Brian C. Smith

Publisher: Elsevier

Published: 2003-01-17

Total Pages: 214

ISBN-13: 0080515533

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The determination of the concentrations of molecules in samples has long been an important application of spectroscopy. In the last 20 years advances in algorithms, computers, instruments, and software have led to a growing interest in this field. These developments mean samples and analytes that were once considered intractable are increasingly yielding usable calibrations. The purpose of this book is to give readers, without an advanced math background, a thorough grounding in the theory and practice of modern quantitative spectroscopic analysis. The author has placed great emphasis on providing the reader with everything they need to know to obtain a fundamental understanding of quantitative spectroscopy.·Relevant theory is explained in an easy to understand, conversational style. ·Actual spectroscopic data and calibrations are used throughout the book to show how real world calibrations are achieved. ·The complexities of Factor Analysis (PCR/PLS) algorithms are explained in pictures and words, making them understandable for all. ·Written from a spectroscopic rather than a mathematical point of view.·Relevant theory is interspersed with practical discussions in order to make difficult concepts easier to comprehend·It is a comprehensive introduction for novices, and an excellent reference for experts.·Topics on spectroscopy are included to emphasize its importance in quantitative spectroscopy


Dispersion, Complex Analysis and Optical Spectroscopy

Dispersion, Complex Analysis and Optical Spectroscopy

Author: Kai-Erik Peiponen

Publisher: Springer Science & Business Media

Published: 1998-11-30

Total Pages: 152

ISBN-13: 9783540645221

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This book is devoted to dispersion theory in linear and nonlinear optics. Dispersion relations and methods of analysis in optical spectroscopy are derived with the aid of complex analysis. The book introduces the mathematical basis and derivations of various dispersion relations that are used in optical spectroscopy. In addition, it presents the dispersion theory of the nonlinear optical processes which are essential in modern optical spectroscopy. The book includes new methods such as the maximum entropy model for wavelength-dependent spectra analysis.


Data Processing Handbook for Complex Biological Data Sources

Data Processing Handbook for Complex Biological Data Sources

Author: Gauri Misra

Publisher: Academic Press

Published: 2019-03-23

Total Pages: 191

ISBN-13: 0128172800

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Data Processing Handbook for Complex Biological Data provides relevant and to the point content for those who need to understand the different types of biological data and the techniques to process and interpret them. The book includes feedback the editor received from students studying at both undergraduate and graduate levels, and from her peers. In order to succeed in data processing for biological data sources, it is necessary to master the type of data and general methods and tools for modern data processing. For instance, many labs follow the path of interdisciplinary studies and get their data validated by several methods. Researchers at those labs may not perform all the techniques themselves, but either in collaboration or through outsourcing, they make use of a range of them, because, in the absence of cross validation using different techniques, the chances for acceptance of an article for publication in high profile journals is weakened. - Explains how to interpret enormous amounts of data generated using several experimental approaches in simple terms, thus relating biology and physics at the atomic level - Presents sample data files and explains the usage of equations and web servers cited in research articles to extract useful information from their own biological data - Discusses, in detail, raw data files, data processing strategies, and the web based sources relevant for data processing


Systems Bioinformatics

Systems Bioinformatics

Author: Gil Alterovitz

Publisher: Artech House Publishers

Published: 2007-01-01

Total Pages: 386

ISBN-13: 9781596931244

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This trailblazing guide gives biological and biomedical research engineers a quantitative systems approach to bioinformatics research using computational tools drawn from technical disciplines. A major milestone in systems biology, this groundbreaking work points engineers to new frontiers in the convergence of engineering and biological research.


Data Science in Chemistry

Data Science in Chemistry

Author: Thorsten Gressling

Publisher: Walter de Gruyter GmbH & Co KG

Published: 2020-11-23

Total Pages: 540

ISBN-13: 3110629453

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The ever-growing wealth of information has led to the emergence of a fourth paradigm of science. This new field of activity – data science – includes computer science, mathematics and a given specialist domain. This book focuses on chemistry, explaining how to use data science for deep insights and take chemical research and engineering to the next level. It covers modern aspects like Big Data, Artificial Intelligence and Quantum computing.


Data Analytics and Big Data

Data Analytics and Big Data

Author: Soraya Sedkaoui

Publisher: John Wiley & Sons

Published: 2018-05-24

Total Pages: 149

ISBN-13: 1119528054

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The main purpose of this book is to investigate, explore and describe approaches and methods to facilitate data understanding through analytics solutions based on its principles, concepts and applications. But analyzing data is also about involving the use of software. For this, and in order to cover some aspect of data analytics, this book uses software (Excel, SPSS, Python, etc) which can help readers to better understand the analytics process in simple terms and supporting useful methods in its application.


Near-Infrared Spectroscopy

Near-Infrared Spectroscopy

Author: Yukihiro Ozaki

Publisher: Springer Nature

Published: 2020-11-13

Total Pages: 593

ISBN-13: 9811586489

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This book provides knowledge of the basic theory, spectral analysis methods, chemometrics, instrumentation, and applications of near-infrared (NIR) spectroscopy—not as a handbook but rather as a sourcebook of NIR spectroscopy. Thus, some emphasis is placed on the description of basic knowledge that is important in learning and using NIR spectroscopy. The book also deals with applications for a variety of research fields that are very useful for a wide range of readers from graduate students to scientists and engineers in both academia and industry. For readers who are novices in NIR spectroscopy, this book provides a good introduction, and for those who already are familiar with the field it affords an excellent means of strengthening their knowledge about NIR spectroscopy and keeping abreast of recent developments.