Theory

Definition: Group of techniques which intend the recovery of the pure response profiles (spectra, pH profiles, time profiles, elution profiles,….) of the chemical constituents or species of an unresolved mixture obtained in chemical processes when no prior information is available about the nature and composition of these mixtures.

MCR methods can be extended to the analysis of many types of experimental data including multiway data and non-evolutionary processes (see Example of Applications).

  • Theory of Multivariate Curve Resolution (PDF).
  • Effect of rotational ambiguities in Multivariate Curve Resolution (PDF).
  • The MCR-ALS method has been implemented in a small set of Matlab functions (see Matlab codes in download page).
  • The different operational steps are summarized in this scheme (PDF).
  • Essentially, the data treatment consists of the following tasks (PDF).

Advertisements