With the simulation tools of FID-A-master I created simulated spectra of triglycerides observed with PRESS. A Matlab function Sim_UFATG_PRESS.m creates the spin systems for all protons of (poly)(un)saturated fatty acids of variable chain lengths and glycerol to simulate biological triglycerides.
In the package I included a function for plotting simulation output as single spectra or as a stacked plot and a spin system of triglyceride. It also includes a function to sum the outputs of simulations so we can build biological fats or oils with various amounts of unsaturated or saturated fatty acids by summing the simulation outputs.
Unfortunately I can’t attach the software in a .zip format (as per instructions on https://mrshub.org/software_contribute/) because only jpg, jpeg, png, gif, txt, md, pdf are authorized extentions. I hope to learn how I can upload the zip file soon.