Quality and Safety Assessment Research Unit Site Logo
Agricultural Research Service United States Department of Agriculture
 
Research Project: THE ADVANCEMENT OF SPECTROSCOPIC SENSORS/CHEMOMETRIC ANALYSIS/BIOBASED PRODUCTS FOR QUALITY ASSESSMENT OF FIBER, GRAIN, AND FOOD COMMODITIES

Location: Quality and Safety Assessment Research Unit

Title: THE USE OF TWO DIMENSIONAL CORELATION SPECTROSCOPY TO CHARACTERIZE INSTRUMENTAL DIFFERENCES

Authors
item Barton Ii, Franklin
item DE Haseth, James
item Himmelsbach, David

Submitted to: Journal of Molecular Structure (Theochem)
Publication Type: Peer Reviewed Journal
Publication Acceptance Date: February 1, 2006
Publication Date: May 11, 2006
Repository URL: http://www.sciencedirect.com
Citation: Barton II, F.E., De Haseth, J.A., Himmelsbach, D.S. 2006. The use of two dimensional corelation spectroscopy to characterize instrumental differences. Journal of Molecular Structure (Theochem). 799:221-225.

Interpretive Summary: For NIR instruments to be used in an analytical network of instruments the model which produces the analytical result must be transferred to all the instruments. This involves a robust model and good calibration transfer routines and the assumption that all the instruments are identical. In the past there has been no way to show instrument differences except as a statistical numerical difference. This paper reports the use of two dimensional correlation spectroscopy as a way to graphically portray the differences between small interferometers suitable for industrial applications. Such differences as signal-to-noise, resolution, offset and detector response can be seen. This removes the assumptions we have typically had to make for calibration transfer.

Technical Abstract: In looking for a way to examine the utility of commercial instrumentation capable of performing the measurement of stickiness in cotton, a means of evaluating the way these nine instruments performed against the research grade spectrometer was required. While all of the instruments had the potential analytical capability of measuring sticky cotton, some were more expensive than the industry would afford and would require even more costly hardening to be used in a cotton gin or spinning plant and some were concept commercial instruments without published performance data. Regardless, the calibration would need to be transferred to any of these new instruments. While there are existing algorithms to do this it is imperative to understand the differences between instrument platforms. Two dimensional correlation spectroscopy (2DCOS) has been used to characterize instrumental differences which will affect performance, stability and reliability. The 2DCOS programs were re-written in MATLAB ver. 6.51 to get on a common format with the newer instruments and the special purpose instruments which utilize MATLAB for data functions. The instruments used in the complete calibration studies of sticky cotton and those that we examined as possible rugged small instruments were evaluated for their instrument function parameters. The possibilities for using 2DCOS for instrument characterization will be explored for the small instruments.

     
Last Modified: 05/24/2013