Evaluation of chromatographic integrators and data systems

Abstract

General users of computer software and hardware, like general users of analytical instrumentation, must be confident that the results are accurate. As with instrumentation, a rigorous quality assurance program can be implemented and the results compared with well-known, expected values. With software, however, one must also look at the results obtained with erroneous and out-of-range data or conditions. Thus, the overall system should be rigorously exercised through all possible data combinations.

Accuracy of peak deconvolution algorithms within chromatographic integrators

“…A Pascal program (Turbo Pascal, Borland International, Inc., Scotts Valley, CA) written to generate EMG-based chromatograms is based on the EMG polynomial approximation (26). This was an adaption from previous work (29), where the current simulations were performed on an IBM-PC compatible computer.…”

The new generation of measurement

“…In case those precautions seem unnecessary, consider the following. Papas and Delaney (40) have reported that when four chromatographic integrators were tested using simulated data, they obtained not only significantly discrepant results between instruments but also, for a given instrument, widely different effects of noise level and tailing on peaks having different heights and widths. When I later discussed their findings with Lubkowitz (42), I found that he had independently discovered the existence of such problems.…”

“…Careful calibrations, using for each "unknown" peak a "known" having nearly the same concentration, should help to minimize bias. Unfortunately, analyses of known concentrations will not be useful in improving the factors that result in variations in precision within one instrument (40).…”

THE NEW GENERATION of Measurement

“…Steps have already been taken by some instrument manufacturers to make such procedures readily possible. In addition, because governmental regulations dealing with Good Laboratory Practice Standards are forcing users to provide evidence of validation (40,41), vendors of instruments and computerized data management systems are beginning to provide users with the necessary information (41).…”