Computer-assisted qualimetric optimization of analytical methods

Software that implements the SIMPLEX optimisation method and the quality requirements of laboratories working on various tasks was developed. The program presents the users with different optimum experimental conditions according to preselected quality criteria, these variables being subsequently subjected to robustness test. This methodology is based on the development of a special response function from the area of a polygon constructed from four main variables, viz. sensitivity, precision, cost and throughput, each of which is weighted by a `quality coefficientʹ. In this way, the principal parameters that define overall analytical quality are integrated and weighted in order to obtain information on the quality parameters on which the quality policy of a given laboratory relies. The system was used to optimise the flow injection method for the determination of furfural with aniline. The results obtained are discussed, and the design of the apparatus and software is commented on.