3D-MO-ED results for GC-MS, LC-MS, LC-MS/MS, and ¹³C-NMR filtered for models with maximal degree of freedom (<i>p</i> = 21).

Top: Chord diagrams relate tracer compositions with D-criterion values and costs by showing an overlay of all Pareto-optimal tracer designs. Substrate species that contributed less than 1% to a mixture are omitted for clarity. Mid: Scatter plots showing Pareto fronts. Overall costs (black) are itemized into experimental (red) and analytical (blue) parts. Step increases of the fronts in costs are attributed to the addition of isotopically labeled substrate species as indicated. In regions of low D-criterion values, the wriggled characteristics of the graphs originates from frequent switching between input substrates and measurement replicates. Cost axes are log-scaled. Bottom: Substrate clusters. D-criterion, costs and input species hierarchically clustered by minimal Euclidean distance. For the compositions average values are given and values below 1% are omitted for clarity. Gray bars scale with the frequency of the clusters. The length of the edges (distance) represents the dissimilarities of the mixtures. Enlarged versions of the chord diagrams are provided in S4 Text.