Investigation and visualization of resolution theorems in self modeling curve resolution (SMCR) methods

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EarlyView Article

  • Published: Jul 16, 2013
  • Author: Mahsa Akbari, Hamid Abdollahi
  • Journal: Journal of Chemometrics

Different approaches have been proposed during recent years to improve the solutions obtained by multivariate curve resolution methods, among them studies on circumstances that result in unique answers are of particular importance. Three so‐called resolution theorems proposed by Rolf Manne comprehensively discuss and survey these conditions. Despite the importance of these theorems, they have not attracted much attention in the literature. In this work, we have returned to the resolution theorems by using visualization tools for calculation and demonstration the area of feasible solutions in a simulated three component system. The effect of selectivity and local rank constraints on rotational ambiguity in the results of self modeling curve resolution methods is the focus. Copyright © 2013 John Wiley & Sons, Ltd.

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