The use of a computer to select optimized conditions for high-performance liquid chromatography separation.

Computer simulation allows the convenient prediction and optimization of HPLC separation as a function of various separation conditions. The use of retention and bandwidth relationships that have been validated for a broad range of chromatographic systems minimizes the number of experimental runs needed, especially for the new technique of restricted multi-parameter optimization. The chromatographer is free to use these procedures in a trial-and-error mode, or alternatively use can be made of resolution maps and other data summaries. "Gridding" experiments, based on the automated collection of chromatographic data, can be used to supplement predictions obtained from computer simulation.