A study of the practical limitations of principal components analysis and the labelling of unresolved HPLC peaks
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The method of iterative target transformation factor analysis (ITTFA) used in conjunction with second derivative peak finding has shown to be a practical method for the peak deconvolution and reconstruction of HPLC chromatograms and spectra. The second derivative method of peak finding is acceptable for resolutions above 0.5 for peaks of similar heights. Above 0.5 resolution the labelling gives correct results where the spectra are substantially different and also when reasonably similar. Below this value the peak labelling was still accurate where the spectra were different. Solvent effects on the spectra of the compounds studied are small and do not hinder the peak labelling process. Thus small “local” libraries are feasible.
Key WordsColumn liquid chromatography Principal components analysis (PCA) Iterative target transformation factor analysis (ITTFA) Peak labelling Chromatographic peak deconvolution
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