Figure 1.

Study design and multivariate statistical pattern analysis of metabolomic data

(A) Grouping design of the study patients.

(B) Treemap overview for the category distribution of identified metabolites.

(C and D) PCA and PLS-DA scores plot of the metabolomic data from serum samples of patients with TH and CH; each point represents an individual serum sample.

(E) PLS-DA permutations plot of metabolomic data of TH and CH groups; each green point and black point represents R2-value and Q2-value, respectively. The criteria for PLS-DA model validity: All Q2-values to the left are lower than the original points to the right; The left regression line of the Q2-points is below zero; all R2-values to the left are lower than the original point to the right.

(F–H) PCA scores plot, PLS-DA scores plot, PLS-DA permutations plot of the metabolomic data from defective/defective, null/defective, and null/null groups.