Isolation of component spectra in the analysis of mixtures by mass spectrometry and 13C nuclear magnetic resonance spectroscopy. The utility of abstract factor analysis

R. Angus Hearmon; James Scrivens; Keith R. Jennings; Martin J. Farncombe

doi:10.1016/0169-7439(87)80119-3

Isolation of component spectra in the analysis of mixtures by mass spectrometry and ¹³C nuclear magnetic resonance spectroscopy. The utility of abstract factor analysis

R. Angus Hearmon, James Scrivens, Keith R. Jennings, Martin J. Farncombe

Research output: Contribution to journal › Article › peer-review

11 Citations (Scopus)

Abstract

In order to assess if factor analysis has practical utility in our laboratories factor analysis techniques have been used to calculate the number of factors, pure spectra and concentrations from mass spectra and ¹³C nuclear magnetic resonance spectra of a series of chemical mixtures. A number of empirical methods for evaluating the number of factors in a data set are available and these are described and compared using simulated and experimentally obtained spectroscopic data. A computer program has been written in Basic to perform the calculations using a CBM PET 4032 microcomputer.

Original language	English
Pages (from-to)	167-176
Number of pages	10
Journal	Chemometrics and Intelligent Laboratory Systems
Volume	1
Issue number	2
DOIs	https://doi.org/10.1016/0169-7439(87)80119-3
Publication status	Published - 1 Jan 1987

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10.1016/0169-7439(87)80119-3

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title = "Isolation of component spectra in the analysis of mixtures by mass spectrometry and 13C nuclear magnetic resonance spectroscopy. The utility of abstract factor analysis",

abstract = "In order to assess if factor analysis has practical utility in our laboratories factor analysis techniques have been used to calculate the number of factors, pure spectra and concentrations from mass spectra and 13C nuclear magnetic resonance spectra of a series of chemical mixtures. A number of empirical methods for evaluating the number of factors in a data set are available and these are described and compared using simulated and experimentally obtained spectroscopic data. A computer program has been written in Basic to perform the calculations using a CBM PET 4032 microcomputer.",

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Isolation of component spectra in the analysis of mixtures by mass spectrometry and ¹³C nuclear magnetic resonance spectroscopy. The utility of abstract factor analysis. / Hearmon, R. Angus; Scrivens, James; Jennings, Keith R. et al.
In: Chemometrics and Intelligent Laboratory Systems, Vol. 1, No. 2, 01.01.1987, p. 167-176.

Research output: Contribution to journal › Article › peer-review

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T1 - Isolation of component spectra in the analysis of mixtures by mass spectrometry and 13C nuclear magnetic resonance spectroscopy. The utility of abstract factor analysis

AU - Hearmon, R. Angus

AU - Scrivens, James

AU - Jennings, Keith R.

AU - Farncombe, Martin J.

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N2 - In order to assess if factor analysis has practical utility in our laboratories factor analysis techniques have been used to calculate the number of factors, pure spectra and concentrations from mass spectra and 13C nuclear magnetic resonance spectra of a series of chemical mixtures. A number of empirical methods for evaluating the number of factors in a data set are available and these are described and compared using simulated and experimentally obtained spectroscopic data. A computer program has been written in Basic to perform the calculations using a CBM PET 4032 microcomputer.

AB - In order to assess if factor analysis has practical utility in our laboratories factor analysis techniques have been used to calculate the number of factors, pure spectra and concentrations from mass spectra and 13C nuclear magnetic resonance spectra of a series of chemical mixtures. A number of empirical methods for evaluating the number of factors in a data set are available and these are described and compared using simulated and experimentally obtained spectroscopic data. A computer program has been written in Basic to perform the calculations using a CBM PET 4032 microcomputer.

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ER -

Isolation of component spectra in the analysis of mixtures by mass spectrometry and ¹³C nuclear magnetic resonance spectroscopy. The utility of abstract factor analysis

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