Exact(1)
In the present study, the possibility of using the multivariate curve resolution alternating least square (MCR ALS) analysis for the simultaneous extraction of the pure synchronous fluorescence spectra at various wavelength offsets for each fluorophore from the total synchronous fluorescence spectroscopy (TSFS) data set of the dilute aqueous mixtures of the three fluorophores, was explored.
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Second column: resulting contour (continuous white closed curve) and cage (deformed polygon) using the multivariate Gaussian mixture energy function.
Using the multivariate analysis data set, the relative predictive performance of modelled hCGres was compared against the previously reported predictors using ROC curve analysis.
In this article, we propose the use of the Multivariate Curve Resolution – Alternating Least Squares (MCR-ALS) chemometrics method to resolve the 1H NMR spectra and concentration of the individual metabolites in their mixtures in untargeted metabolomics studies.
The non-processed data obtained were pre-processed using the hierarchical multivariate curve resolution method [ 58].
In a second step, the multivariate curve resolution (MCR) method is used as a "self modeling curve resolution" for the recovery of pure components from a multi-component mixture when little or no prior information is available.
We use the multivariate control charts in the detection task.
We use the multivariate Epanechinikov kernel [32], given by (10).
To address the possibility that 96-well filter plates may impart contaminants to wood powder preparations, ToF-SIMS spectra of Soxhlet-extracted spruce powder before and after exposure to the filter plates were visualized using a multivariate curve resolution (MCR) model.
The XRF data was also examined using a multivariate curve resolution-alternating least square (MCR-ALS) approach to virtually separate and help characterize the different paint layers.
The remaining GC-MS data were analysed using hierarchical multivariate curve resolution (H-MCR; [ 8], and 357 components (putative metabolites) were resolved.
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