Mathematics – Logic
Scientific paper
Jul 1981
adsabs.harvard.edu/cgi-bin/nph-data_query?bibcode=1981gecoa..45.1131h&link_type=abstract
Geochimica et Cosmochimica Acta, vol. 45, Issue 7, pp.1131-1140
Mathematics
Logic
Scientific paper
The multivariate statistical method of Principal Components Analysis is used to classify gas chromatographic-mass spectrometric data. The specific examples comprise sterane and triterpane regions of GC-MS analyses of branched/cyclic fractions. The statistical model provides an objective analogue to visual comparison and classification of mass fragmentograms. Sources of experimental error influencing the statistical results include insufficient sample size, short integration times, and peak skewing. The method successfully groups samples of oils, oil sand, and polluted beach sand according to geographic origin: beach sand groups with type of crude spilled; laboratory biodegraded and untreated Nigerian crudes group together. Applications of three-mode Principal Components Analysis can range from study of geologic processes acting on organic compounds to classification of unknown pollutants.
Hohn Michael
Jones N. W.
Patience R.
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