Factor analysis for the decomposition of multicomponent data into a linear sum of chemically-meaningful components when little or no prior information about the composition is available.
Notes: - MCR factors are extracted by the iterative minimization of the residual matrix using an alternating least squares approach, while applying suitable constraints, such as non-negativity, to the loadings and scores. MCR can be performed on the data matrix with or without data pre-processing.
- MCR factors are not unique but are dependent on initial estimates, the number of factors to be resolved, constraints applied and convergence criteria. MCR factors are not required to be orthogonal.
Source:
PAC, 2016, 88, 407. 'Vocabulary of concepts and terms in chemometrics (IUPAC Recommendations 2016)' on page 421 (https://doi.org/10.1515/pac-2015-0605)