Automated identification of components in a chemical mixture utilizing multi-wavelength resonant-Raman spectroscopy and a Pearson correlation algorithm
Article first published online: 23 JUN 2012
Copyright © 2012 John Wiley & Sons, Ltd.
Journal of Raman Spectroscopy
Volume 43, Issue 10, pages 1472–1476, October 2012
How to Cite
Lunsford, R., Gillis, D., Grun, J., Bowles, J., Kunapareddy, P., Manka, C. and Nikitin, S. (2012), Automated identification of components in a chemical mixture utilizing multi-wavelength resonant-Raman spectroscopy and a Pearson correlation algorithm. J. Raman Spectrosc., 43: 1472–1476. doi: 10.1002/jrs.4073
- Issue published online: 15 OCT 2012
- Article first published online: 23 JUN 2012
- Manuscript Accepted: 1 MAR 2012
- Manuscript Revised: 24 FEB 2012
- Manuscript Received: 1 DEC 2011
Supporting information may be found in the online version of this article.
|jrs_4073_sm_table_s1.doc||Word document||68K||Table S1. Identification results using correlation coefficient scoring. Variations in correlation coefficient between multiple runs of the same mixture are less than 1% for all mixtures except the ethanol, acetonitrile, and water compound, which were measured 18 separate times and displayed a variation in the correlation coefficient of +/−2.8%|
|jrs_4073_sm_table_s2.doc||Word document||31K||Table S2. Determination of detection limits using correlation coefficient scoring. Using the Pearson correlation algorithm, we determine the detection limit of the algorithm. The weighting, as explained in the analysis section does not indicate a volumetric abundance, but merely a relative strength when compared with the primary mixture component, which has been tagged at unity|
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