New approach to generalized two-dimensional correlation spectroscopy. 1: Combination of principal component analysis and two-dimensional correlation spectroscopy
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- New approach to generalized two-dimensional correlation spectroscopy. 1: Combination of principal component analysis and two-dimensional correlation spectroscopy
- Jung, YM; Shin, Hyeon Suk; Bin Kim, S; Noda, I
- PCA; PCA 2D correlation spectroscopy; Principal component analysis; Two-dimensional (2D) correlation spectroscopy
- Issue Date
- SOC APPLIED SPECTROSCOPY
- APPLIED SPECTROSCOPY, v.56, no.12, pp.1562 - 1567
- The direct combination of chemometrics and two-dimensional (2D) correlation spectroscopy is considered. The use of a reconstructed data matrix based on the significant scores and loading vectors obtained from the principal component analysis (PCA) of raw spectral data is proposed as a method to improve the data quality for 2D correlation analysis. The synthetic noisy spectra were analyzed to explore the novel possibility of the use of PCA-reconstructed spectra, which are highly noise suppressed, 2D correlation analysis of this reconstructed data matrix, instead of the raw data matrix, can significantly reduce the contribution of the noise component to the resulting 2D correlation spectra.
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