CoLaus metabomatching results.

Ranks of reference metabolites obtained for CoLaus pseudospectra, with UMDB as the spectral reference database, and with: peak- (P) or multiplet-mode (M), χ2- (X) or Z-scoring (Z), and without (C) or with decorrelation (D). Neighborhood parameter is δ = 0.03 in peak-mode, 0.01 in multiplet-mode. Shrinkage parameter is λ = 0.5 for decorrelation, 1 without. Reference metabolites are obtained from testable associations collected from targeted mGWAS [8, 18, 19]. Squares (□) indicate ranks not in the top 10% of UMDB listed metabolites, that is ranks greater than 18. Individual metabomatching figures including the eight highest ranked metabolite candidates for each pseudospectrum can be found in S1 Fig. Due to the differences in the peak and multiplet descriptions, the association of the HPD SNP with α-hydroxyisobutyrate is testable only in peak mode (S1F Fig), the association with 3-hydroxyisovalerate only in multiplet mode (S1G Fig).