[code submission]

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.


Dear Ron,

Thank you, that is an awesome submission! I’ve received your e-mail, uploaded your code to the MRSHub GitHub repository, and created an entry in the Software & Code section of the MRSHub.

My sincere apologies that you weren’t able to upload .zip files as attachment to your post - this was a restriction of the forum software that I have now fixed… so please don’t hesitate to try again with your next submission :wink:

Thanks again!
Best wishes,
Georg (on behalf of the MRSHub Team)