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Numerical methods for comparison of oils by FTIR


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Li, J, Hibbert, DB, Fuller, S and Way, CP 2004 , 'Numerical methods for comparison of oils by FTIR', paper presented at the Interact 2004 - 'Science a smart state to be in', 4-8 July 2004, Goldcoast QLD.

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ASTM standard test method D 3414-98 is used by the Environment Protection Authority, New South Wales to
compare IR spectra of an oil spill with those of suspect oils. The method recommends comparison of spectra by
physically overlaying scaled spectra on transparencies. With modern FT methods which provide digitised spectra,
numerical methods must offer an improved approach to this task. We have investigated four point-to-point
comparison statistics, namely the Euclidean distance, first derivative Euclidean distance, correlation coefficient and
first derivative correlation coefficient. All four methods work well to distinguish between replicate measurements of
the same sample and of different oil samples in the fingerprint region of 900-700 ern", with the first derivative
methods being best.

Item Type: Conference or Workshop Item (Lecture)
Authors/Creators:Li, J and Hibbert, DB and Fuller, S and Way, CP
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