Concerning the spectra of reaction mixture, one can either cut the spectra to the same regions as those in reagents or use the full spectra. The first approach is preferred, as in this case algorithm works properly for a very wide range of parameters' values, allowing a user to run the analysis with default settings. However, using full spectra of reaction mixture and adjusting parameters accordingly is also possible. In the three reactions described above, the spectra of reaction mixture were cut to regions. With such input data, Magnetstein proved to be extremely robust to the choice of parameters κ mixture and κ components : the results were virtually the same independent of the setting, see Figure . As we mentioned, using the other approach is also possible, but requires a more careful choice of the parameters values.