Overview

The Plot Metabolites tab allows you to visualize the simulation results in both the time domain and the frequency domain.

Selecting Metabolites to Visualize

Select the moiety by clicking the name of the moiety in the sidebar. You can select multiple moieties by clicking and dragging up and down the list or by clicking one moiety, holding the Shift key on your keyboard. You can also select multiple moieties by holding the Ctrl key on your keyboard while clicking.

Visualizing the Metabolites

Hit the Plot button below the list of metabolites to show the metabolite signals in the time domain and the frequency domain on the right hand side. Note that only the selected metabolites will be plotted.

Controls at the bottom of the plots allow you zoom in/out, navigate the plot, and save the plot as an image.

Plotting Parameters

There are some plotting parameters that you can edit:

• LB [Hz]: "LB" stands for "line-broadening." This is an exponential filter that you can apply to broaden the line widths of the spectra, such that they appear as they would in vivo. In other words, setting LB = 15 will apply a 15 Hz exponential filter to the metabolite signals, broadening the line shapes in the frequency domain.

• Shift [ppm]: The "Shift" parameter shifts the entire spectrum left or right along the frequency spectrum. A "Shift" of "3" will shift the entire spectrum to the right by 3 ppm. A "Shift" of "-2" will shift the entire spectrum to the left by 2 ppm.
• Phase [deg]: The "Phase" parameter adds a zero-order phase to the spectrum.