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Computer-Enhanced Analytical Spectroscopy

  • Book
  • © 1987

Overview

Editors:
  1. Henk L. C. Meuzelaar

    1. The University of Utah, Salt Lake City, USA

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    You can also search for this editor in PubMed   Google Scholar

  2. Thomas L. Isenhour

    1. Utah State University, Logan, USA

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    You can also search for this editor in PubMed   Google Scholar

Part of the book series: Modern Analytical Chemistry (MOAC)

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Table of contents (12 chapters)

  1. Front Matter

    Pages i-xvi
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  2. Optimization and Exploratory Data Analysis

    1. Front Matter

      Pages 1-1
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    2. Development of an AI-Based Optimization System for Tandem Mass Spectrometry

      • Carla M. Wong, Hal R. Brand
      Pages 3-27

    3. Curve Fitting and Fourier Self-Deconvolution for the Quantitative Representation of Complex Spectra

      • Peter R. Griffiths, John A. Pierce, Gao Hongjin
      Pages 29-54

    4. Evolutionary Factor Analysis in Analytical Spectroscopy

      • Edmund R. Malinowski
      Pages 55-66

    5. Numerical Extraction of Components from Mixture Spectra by Multivariate Data Analysis

      • Willem Windig, Henk L. C. Meuzelaar
      Pages 67-102

    6. Simultaneous Multivariate Analysis of Multiple Data Matrices

      • Halliday J. H. MacFie
      Pages 103-119

    7. Multivariate Calibration: Quantification of Harmonies and Disharmonies in Analytical Data

      • Tormod Næs, Harald Martens
      Pages 121-141

  3. Spectral Interpretation and Library Search

    1. Front Matter

      Pages 143-143
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    2. Automated Spectra Interpretation and Library Search Systems

      • J. T. Clerc
      Pages 145-162

    3. Carbon-13 Nuclear Magnetic Resonance Spectrum Simulation

      • Peter C. Jurs, Debra S. Egolf
      Pages 163-182

    4. The Evolution of an Automated IR Spectra Interpretation System

      • Abraham Savitzky
      Pages 183-199

    5. Novel Advances in Pattern Recognition and Knowledge-Based Methods in Infrared Spectroscopy

      • Hugh B. Woodruff
      Pages 201-222

    6. Library Storage and Retrieval Methods in infrared Spectroscopy

      • Stephen R. Heller, Stephen R. Lowry
      Pages 223-237

    7. Synergistic Use of Infrared, 13C Nuclear Magnetic Resonance, and Mass Spectral Data in Analysis Schemes for the Identification of Organic Mixture Components

      • David A. Laude Jr., Charles L. Wilkins
      Pages 239-267

  4. Back Matter

    Pages 269-272
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Keywords

About this book

June 1986 brought together some of the world's leaders in computer­ enhanced analytical spectroscopy at Snowbird, Utah, for what the attendees decided to call "The First Hidden Peak Symposium." With the remarkable advances in both computer hardware and software, it is interesting to observe that, while many computational aspects of spectroscopic analysis have become routine, some of the more fundamental problems remain unsolved. The group that assembled included many of those who started trying to interpret chemical spectroscopy when computers were ponderous, slow, and not very accessible, as well as newcomers who never knew the day that spectrometers were delivered without attached computers. The synergism was excellent. Many new ideas, as well as this volume, resulted from interactions among the participants. The conclusion was that progress would be made on more fundamen­ tal problems now that hardware, software, and mathematics were coming together on a more sophisticated level. The feeling was that the level of sophistication is now adequate and that it is only a matter of time before automated spectral interpretation surpasses all but the most advanced human experts.

Editors and Affiliations

  • The University of Utah, Salt Lake City, USA

    Henk L. C. Meuzelaar

  • Utah State University, Logan, USA

    Thomas L. Isenhour

Bibliographic Information

  • Book Title: Computer-Enhanced Analytical Spectroscopy

  • Editors: Henk L. C. Meuzelaar, Thomas L. Isenhour

  • Series Title: Modern Analytical Chemistry

  • DOI: https://doi.org/10.1007/978-1-4684-5368-3

  • Publisher: Springer New York, NY

  • eBook Packages: Springer Book Archive

  • Copyright Information: Plenum Press, New York 1987

  • Hardcover ISBN: 978-0-306-42644-5Due: 31 January 1988

  • Softcover ISBN: 978-1-4684-5370-6Published: 14 March 2012

  • eBook ISBN: 978-1-4684-5368-3Published: 08 March 2013

  • Edition Number: 1

  • Number of Pages: 288

  • Topics: Analytical Chemistry

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