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Clinical Chemistry 18: 744-748, 1972;
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Clinical Chemistry, Vol 18, 744-748, Copyright © 1972 by the American Association for Clinical Chemistry

Computerized Automation in Acquisition and Processing of Patterns from High-Pressure Ion-Exchange Chromatography

B. J. Cerimele 1, D. C. Clapp 1, G. C. Cokinos 1, B. D. Obermeyer 1, and R. L. Wolen 1

1 Eli Lilly and Company, Indianapolis, Ind. 46206.

Fully automated generation, recording, storing, and processing of complex chromatograms demand sophisticated laboratory instrumentation and computer implementation. In the high-resolution liquid-chromatographic system for body fluids analyses we use in our clinical laboratory, the chromatograph is interfaced to a 2114 Hewlett-Packard minicomputer that accomplishes, in an on-line mode, analog-to-digital conversion, reductive averaging of sampled data, transformation from transmittance to absorbance units, and storage of the digitized spectrum on a peripheral disk. The information on disk is eventually transferred to a library of spectral files resident on a direct-access disk associated with an IBM 360/ Model 65 computer. These data files serve as the input source for program COCOA, written in Fortran IV for the IBM 360 computer, which provides the following processing: (a) iterative polynomial smoothing; (b) sectionally linear baseline tracking; (c) peak and envelope detection and delineation; (d) least-squares gaussian resolution of up to five component peaks in an envelope; and (e) location, size, and shape quantification of peaks. The capability and merits of program COCOA as an off-line procedure on a maxicomputer for the analysis of chromatograms are discussed.


Key Words: Fortran IV • off-line computerization of chromatograms • uv-absorbing components of physiological fluids • drug metabolism • gas—liquid chromatography • peak distinction and measurement • baseline tracking




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C. D. Scott
High-Pressure Ion Exchange Chromatography
Science, October 18, 1974; 186(4160): 226 - 233.
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Copyright © 1972 by the American Association for Clinical Chemistry.