Title

Hierarchical Cluster Analysis of Ignitable Liquids Based on the Total Ion Spectrum

Authors

Authors

E. E. Waddell; J. L. Frisch-Daiello; M. R. Williams;M. E. Sigman

Comments

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Abbreviated Journal Title

J. Forensic Sci.

Keywords

forensic science; hierarchical cluster analysis; ignitable liquids; total ion spectrum; gas chromatography-mass spectrometry; chemometrics; FIRE DEBRIS ANALYSIS; GAS CHROMATOGRAPHY/MASS SPECTROMETRY; CORRECT; CLASSIFICATION RATES; ARTIFICIAL NEURAL-NETWORKS; GASOLINE; PROGRESS; SAMPLES; Medicine, Legal

Abstract

Gas chromatography-mass spectrometry (GC-MS) data of ignitable liquids in the Ignitable Liquids Reference Collection (ILRC) database were processed to obtain 445 total ion spectra (TIS), that is, average mass spectra across the chromatographic profile. Hierarchical cluster analysis, an unsupervised learning technique, was applied to find features useful for classification of ignitable liquids. A combination of the correlation distance and average linkage was utilized for grouping ignitable liquids with similar chemical composition. This study evaluated whether hierarchical cluster analysis of the TIS would cluster together ignitable liquids of the same ASTM class assignment, as designated in the ILRC database. The ignitable liquids clustered based on their chemical composition, and the ignitable liquids within each cluster were predominantly from one ASTM E1618-11 class. These results reinforce use of the TIS as a tool to aid in forensic fire debris analysis.

Journal Title

Journal of Forensic Sciences

Volume

59

Issue/Number

5

Publication Date

1-1-2014

Document Type

Article

Language

English

First Page

1198

Last Page

1204

WOS Identifier

WOS:000342679300004

ISSN

0022-1198

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