Localization of randomly selected peaks from
When using SW-MCR, the pure spectra and concentration profiles for the three peaks on the described region are extracted (see Fig. 6). The computed error bars of the pure spectra and concentration profiles show a high consistency among different window estimations. As expected, the concentration of the largest peak (at 10 ms) Regorafenib similar to the concentration resolved using MCR-ALS. The peak with lowest intensity (at 8.7 ms) is well resolved too, with a concentration profile one order of magnitude smaller than the largest peak, as anticipated. The medium intensity peak (at 7.8 ms) is also detected, although its tracking is interrupted in the 47–53 s range. This shows a limitation of the proposed technique: peaks with a constant intensity in the whole window cannot be detected by SIMPLISMA because the standard deviation of the peak maximum along the window is zero leading to zero purity values. However, the peak is tracked again in further windows once the intensity varies again. As expected, neither MCR-ALS nor SW-MCR were able to deconvolve the 8.7 ms peak when tubal pregnancy was being completely masked by the 10 ms peak.