(Package: ALS) :
alternating least squares multivariate curve resolution (MCR-ALS)
This is an implementation of alternating least squares multivariate curve resolution (MCR-ALS). Given a dataset in matrix form d1, the dataset is decomposed as d1=C %*% t(S) where the columns of C and S represent components contributing to the data in each of the 2-ways that the matrix is resolved. In forming the decomposition, the components in each way many be constrained with e.g., non-negativity, uni-modality, selectivity, normalization of S and closure of C. Note that if more than one dataset is to be analyzed simultaneously, then the matrix S is assumed to be the same for every dataset in the bilinear decomposition of each dataset into matrices C and S.
● Data Source:
CranContrib
● Keywords: optimize
● Alias: als
●
3 images
matchFactor
(Package: ALS) :
Matching factor functions to describe similarity of two vectors
Matching factor functions to describe similarity of two vectors. This function may be useful to match an estimated mass spectrum against mass spectra of known compounds, in order to identify the compound represented by the estimated mass spectrum.
providing 
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