Chemometrics in Spectroscopy, Revised Second Edition provides the reader with the methodology crucial to apply chemometrics to real world data. The book 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. This revised second edition has been expanded with 50% more content on 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.

Chemometrics in Spectroscopy builds upon the statistical information covered in other books written by these leading authors in the field by providing a broader range of mathematics and progressing into the fundamentals of multivariate and experimental data analysis. Subjects covered in this work include: matrix algebra, analytic geometry, experimental design, calibration regression, linearity, design of collaborative laboratory studies, comparing analytical methods, noise analysis, use of derivatives, analytical accuracy, analysis of variance, and much more are all part of this chemometrics compendium. Developed in the form of a tutorial offering a basic hands-on approach to chemometric and statistical analysis for analytical scientists, experimentalists, and spectroscopists. Without using complicated mathematics, Chemometrics in Spectroscopy demonstrates the basic principles underlying the use of common experimental, chemometric, and statistical tools. Emphasis has been given to problem-solving applications and the proper use and interpretation of data used for scientific research.
* Offers basic hands-on approach to chemometric and statistical analysis for analytical scientists, experimentalists, and spectroscopists.
* Useful for analysts in their daily problem solving, as well as detailed insights into subjects often considered difficult to thoroughly grasp by non-specialists.
* Provides mathematical proofs and derivations for the student or rigorously-minded specialist

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.

Interpretive spectroscopy provides a basis for the establishment of cause-and-effect relationships between NIR spectrometer response and the chemical properties of the samples. Without established cause-effect relationships, the measured data has no true predictive significance. This interpretive process is key for achieving an analytical understanding of the measurement. In the expanded second edition of Practical Guide and Spectral Atlas for Interpretive Near-Infrared Spectroscopy, the authors include new research, editorials, supplements, and molecular structural formulas, along with updated references and information on NIR spectra. The thoroughly updated and revised second edition offers a full library of color spectra in a larger format to ensure clarity and reader comprehension. Providing a rich set of reference information required to interpret NIR spectra for research and industrial applications, this book: Offers more than 300 figures representing all the major functional groups and their NIR frequency ranges Contains over 120 pages of tables and charts illustrating overlapping spectra Covers NIR spectra for organic compounds, including alkanes, carboxylic acids, amines, dienes, alkynes, heterocyclic compounds, amino acids, and aldehydes Provides comprehensive appendices with spectra-structure correlations, example spectra, and other useful data for interpreting NIR spectra

The Handbook of Organic Compounds: NIR, IR, Raman, and UV-Vis Spectra Featuring Polymers and Surfactants represents a compendium of practical spectroscopic methodology, comprehensive reviews, and basic information for organic materials, surfactants, and polymer spectra covering the Ultraviolet, Visible, Near Infrared, Infrared, Raman and Dielectric measurement techniques. This set represents a complementary organic compound handbook to the Nyquist inorganic handbook, published in 1996. This set comprises the first comprehensive multi-volume handbook to provide basic coverage for UV-Vis, 4th overtone NIR, 3rd overtone NIR, NIR, Infrared, Raman spectra, and Dielectric data for common organic compounds, polymers, surfactants, contaminants, and inorganic materials commonly encountered in the laboratory. The text includes a description and reviews of interpretive and chemometric techniques used for spectral data analysis. The spectra included within the atlas are useful for identification purposes as well as pedagogical for the instruction of the various interpretive and data processing methods discussed. This work is designed to be of help to students and vibrational spectroscopists in their efforts of daily spectral interpretation and data processing of organic spectra, polymers, and surfactants. All spectra are presented in wavenumber and transmittance, with the addition of ultraviolet, visible, 4th overtone NIR, 3rd overtone NIR, and NIR spectra also represented in nanometers and absorbance space. In addition, some Horizontal infrared ATR spectra are presented in wavenumber and absorbance space. All spectra are shown with essential peaks labeled in their respective units. The material in this handbook was contributed to by several individuals, and comments were received from a variety of prominent workers in the field of molecular spectroscopy. This type of handbook
project is a daunting task. This Handbook can provide a valuable reference for the daily activities of students and professionals working in modern molecular spectroscopy laboratories.
* Indices for UV-Vis, fourth overtone NIR, third overtone NIR, NIR, IR, raman, and dielectric spectra
* Unique detailed correlation charts for each of these spectral regions
* Indices of spectra by alphabetical order, chemical class, and chemical formula
* Cross referencing of common compounds for all spectral regions
* Literature reviews of historical and most useful references in the field
* Research oriented for those using molecular spectroscopy on a routine basis for interpretation, qualitative and quantitative analysis
* An emphasis on near infrared and infrared spectral regions