Hi, I discovered the MRShub community just a week ago, and this is my first comment.
I’m also interested in utilizing LCModel to analyze animal 31P MRS data on the Bruker 7T.
I assume your data is FID, not spin echo, such as PRESS, correct?
My approach is as follows, and I will attempt to follow these steps. However, if anyone reading this finds a mistake or knows a better method, please feel free to point it out to me.
The first thing is to create individual metabolite basis spectra (.RAW files) for generating an LCModel basis set.
The method described below utilizes the FID-A package.
Create 31P metabolite spin system .mat files for .RAW file creation.
The spin system .mat files for 1H are in the simulationTool → metabolites; you can refer to those. The chemical shift and J-values are described in the paper mentioned by Dr. George. ‘Quantification of in vivo 31P NMR Brain Spectra using LCModel - PMC (nih.gov)’
However, I also have a question here; I do not know how to describe the J values between P-H and intermolecular P-P. Any advice on addressing this issue would be greatly appreciated.
sim_onepulse.m or sim_onepulse_delay.m seems suitable for creating the basis spectra. However, since these basis spectra lack header information, it must be added to become .RAW files. For PRESS, STEAM, or LASER data, .RAW files can be created using sim_lcmrawbasis.m. However, for FID data, there doesn’t seem to be an m-file to generate .RAW files automatically.
After creating all the metabolite basis spectra you want to analyze, proceed to create a basis set using the LCModel feature.
I haven’t personally tried this method yet but plan to do so. If you’ve already tackled this problem, any suggestions would be greatly appreciated.
Best regards,
Moyoko