Universitat de Barcelona

MULTIVARIATE CURVE RESOLUTION

GRAPHIC USER-FRIENDLY INTERFACE

Solution Equilibria and Chemometrics Group

         
  Selection of data set window. The user has to select data set, initial estimation and number of matrices. In this figure, data are related to four HPLC-DAD chromatographic runs.    
         
 

Selection of the ALS constraints window in the case of a single experiment analysis.

   
         
  Definition of the 3-way data set window. Definition of the kind of matrix augmentation and characterization of the size of each submatrix is performed.    
         
  Selection of the ALS constraints window in the analysis of several experiments. The selected constraints in this figure are applied to the HPLC-DAD chromatographic runs shown in the first image.  
       
  No closure selected window. Different possibilities of spectra normalization are available when no closure is selected.  
       
  ALS optimization results window. In this window, a representation of the resolved concentration and spectra is shown with other optimization (% of variance explained, lack of fit).  
     

comments on: Romà Tauler, Anna de Juan

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updated: February 2005