MS Resolver is a brand new software product from Pattern Recognition Systems. It is an automated version of Xtricator for resolving GC-MS and LC-MS data.
detailed description of the use of MS Resolver on real data
The biggest difference between Xtricator and MS Resolver lies in the resolution approach. While Xtricator relies heavily on interaction with the software user, MS Resolver is a fully automated resolution package. The decrease in analysis time enables one to work with more complex data than one can do with Xtricator. We have resolved data from samples containing more than 400 components using MS Resolver.
The degree of automation also makes MS Resolver a rather simple software to use. The interface is intuitive and considerable less complex than Xtricator's.
Another difference between MS Resolver and Xtricator lies in the aim of the software. Xtricator is a general-purpose resolution program. While one of the key components in MS Resolver is the resolution part, the scope of the program package is wider than this. Using MS Resolver, one can resolve data from several samples. Spectral similarity and retention times are used by MS Resolver to match the resolved components from different samples automatically. The integrated chromatographic areas for each compound in each sample are then placed in a predictor matrix, without any user interaction. This matrix can be exported and used in calibration and regression against an external response variable. MS Resolver does not perform the regression - one needs to export the predictor matrix to a general multivariate software. We recommend the use of Sirius for this purpose.
We offer a demo version of the software and we invite you to
mail us if you are interested in trying this