“…Figures S11 and S12 show that this supervised approach, guided by standards to PCA and clustering, respectively, can successfully partition data based on spectral similarities to obtain a set of spectra ), even in the presence of Gaussian noise and energy misalignment in the modified dataset. 56 A combined PCA and k-means clustering approach thus represents a powerful means of determining of the spectral components based on statistical deconvolution of datasets. 50 , 52 , 57 , 58 Notably, the cluster analysis in Figure S12 delineates three distinct clusters despite the presence of only two Li x V 2 O 5 phases in the generated dataset.…”