WinMLR, a software program for the simultaneous determination of several components in mixtures using multilinear regression analysis

Abstract

The program WinMLR has been developed for the quantification of mixtures of several components by making a multilinear regression treatment of experimental data to a linear combination of standard signals. Data may be obtained with any multichannel detector having more measuring channels than components to be resolved. For a correct resolution, a linear relationship between the signal of every channel and the component concentration is required. The data must be located into ASCII files, one file for each standard or sample measurement, which contain the X and Y values in separated columns.The program allows three types of calibration methods: single standard, multiple standards and multiple standards addition. In the first case, the program requires to measure one standard per component. In the second case, the user can employ standards of both pure compounds and known mixtures under the sole constraint that the set of standards must include all components in different proportions. Similarly, the multiple standard addition method (more known as general standard addition method) requires the data obtained by adding known amounts of one or several mixture components to the sample so that all of them are included in the assays. In the multiple standards and multiple standards addition procedures, once the calibration has been done, the program allows the mixture to be resolved by weighted or unweighted regression.