Fig. 2: Fit results for the baseline simulations are shown. The blue line shows the input spectrum; the black line the input baseline. Fitted baselines (dashed lines) and resulting residuals (continuous lines) are shown in red for LCModel and purple for ProFit-v3. Offsets used for plotting are indicated on the right of each subplot. Inlays show the mAIC curves for the ProFit-v3 fitting. These spectra show a simulated zero baseline, an in-phase (φ₀ = 0°) and an out of phase (φ₀ = 90°) lipid peak at 1.3 ppm, but also an extracted baseline from a previous LCModel fit of an in vivo spectrum.

Fig. 1 A: The ProFit-v3 algorithm is depicted with the successive optimization steps: first preprocessing steps affect the spectrum to be fit while the fitting iterations optimize the linear combination of the basis sets. In later iterations, more metabolites are added, and additional metabolite specific local degrees of freedom are allowed while keeping the previously optimized global parameters. B: Metabolite weighting envelopes are displayed in red. Summing the weights of active metabolites for the fit iteration gives the weights of the spectral residual R_X shown on the right.