QUEST or Quasar metabolite list

[Ronald Ouwerkerk]

1) Is it possible to edit the metabolite list in QUEST or Quasar?
I want to add fatty acids and other proton metabolites (not for brain). Also QUEST can in principle also be used for 31P, but QUASAR has no phosphorous names in the list.
2) Is there a database with basis sets available somewhere?

Ronald Ouwerkerk
National Institutes of Health (NIH)

[Ronald Ouwerkerk]

I made a series of basis sets for fatty acids for PRESS at vartious echo times. Now I managed to build a set or metabolite list with six fatty acid spectra at TE 20ms. To do this for all TE I would have to go through the same tedious procedure again. I wish I could just keep the names, number of spins, damping and concentration rations and attach a new simulated spectrum for each of the metabolites, but now at a different echo time (or perhaps a simulated STEAM spectrum).
I tried to decipher the metabolite list files (*.ml) but I don’t see how the spectral data are inserted in these files (but it appears that they are).
This is the first 50 doubles fo the *.ml files I made
” ‘¬í z alpha_linolenic_18_3_Om3 sig#0′”
The rest is gibberish, so I suspect that we get a different number format from there on. perhaps the data? Can anyone tell me what the format of metabolite files is? Or, even better, point me to Matlab or Python code that reads and writes *.ml files for QUEST

Ronald Ouwerkerk
National Institutes of Health (NIH)

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