• Title of article

    MCR-BANDS: A user friendly MATLAB program for the evaluation of rotation ambiguities in Multivariate Curve Resolution

  • Author/Authors

    Jaumot، نويسنده , , Joaquim and Tauler، نويسنده , , Romà، نويسنده ,

  • Issue Information
    دوفصلنامه با شماره پیاپی سال 2010
  • Pages
    12
  • From page
    96
  • To page
    107
  • Abstract
    A new user friendly graphical interface and a command line MATLAB computer program for the evaluation of the extent of rotation ambiguities associated to Multivariate Curve Resolution solutions are presented. Different examples of application are shown including the simultaneous analysis of multiple data sets and the implementation of local rank and trilinearity constraints, basic tools to reduce and eliminate rotation ambiguities. The program allows for an easy check of the extent of rotation ambiguity remaining in Multivariate Curve Resolution solutions in the investigation of a particular system and it also allows for the checking of the effect of applied constraints. In this way, conditions and limitations to achieve optimal solutions in Multivariate Curve Resolution are easily assessed.
  • Keywords
    Rotational ambiguities , Software , Boundaries of feasible MCR solutions , MCR-Bands , MCR-ALS
  • Journal title
    Chemometrics and Intelligent Laboratory Systems
  • Serial Year
    2010
  • Journal title
    Chemometrics and Intelligent Laboratory Systems
  • Record number

    1489838