Great to hear that you have solved the .raw file writing problem.
Can you clarify a few things for me?
- If you’ve successfully achieved fitting with jMRUI and LCModel, why would you want to use Tarquin or Inspector?
- What is the difference between spectral fitting and quantification?
- Could you post a screenshot of your data and some of the LCModel fits you’ve achieved? If the signals are broad, you can probably just fit them with simple Voigtians (much like LCModel fits macromolecules).
- If you want to use actually simulated basis sets, you can look into SimnTG by @ouwerkerkr, although this tool will simulate the spectrum for an entire fatty acid (with configurable chain length and position of the double bonds etc.). The different groups/resonances likely have different T2s, and fitting a linear combination of rigid spectra will not be able to accommodate that unless you split the basis functions again. If you just want ratios between your target lipid resonances, it’ll probably be easier to use the approach I describe in 3)
It all depends on what you actually want to achieve, i.e., what your desired outcome variables are.