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. 2021 Mar 18;93(12):4995–5000. doi: 10.1021/acs.analchem.1c00113

Figure 4.

Figure 4

Linear regression analyses of SMolESY integrals (normalized to one proton) versus absolute concentrations produced by commercial software for (a–f) six metabolites in 380 plasma samples from a diabetic cohort. The calculated R2 values indicate a good correlation between SMolESY feature integrals (independently of smoothing, e.g., panel (b)) and the concentration values from “expensive” fitting/deconvolution processes. Additional comparisons are presented in Figure S7.