TY - JOUR
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.
PY - 1987/1/1
Y1 - 1987/1/1
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.
UR - http://www.scopus.com/inward/record.url?scp=33750908374&partnerID=8YFLogxK
U2 - 10.1016/0169-7439(87)80119-3
DO - 10.1016/0169-7439(87)80119-3
M3 - Article
AN - SCOPUS:33750908374
SN - 0169-7439
VL - 1
SP - 167
EP - 176
JO - Chemometrics and Intelligent Laboratory Systems
JF - Chemometrics and Intelligent Laboratory Systems
IS - 2
ER -