Computer-assisted qualimetric optimization of analytical methods

Software that implements the SIMPLEX optimisation method and the quality re quirements of laboratories working on various tasks was developed. The prog ram presents the users with different optimum experimental conditions accor ding to preselected quality criteria, these variables being subsequently su bjected to robustness test. This methodology is based on the development of a special response function from the area of a polygon constructed from fo ur main variables, viz, sensitivity, precision, cost and throughput, each o f which is weighted by a 'quality coefficient'. In this way, the principal parameters that define overall analytical quality are integrated and weight ed in order to obtain information on the quality parameters on which the qu ality policy of a given laboratory relies. The system was used to optimise the flow injection method for the determination of furfural with aniline. T he results obtained are discussed, and the design of the apparatus and soft ware is commented on. (C) 1999 Elsevier Science B.V. All rights reserved.