[Batman-users] fitting 800MHz spectra

[Gonçalo Graça]

Thank you Gonçalo and Will for the quick reply.

I send you two examples of a fits I obtain:
1 - specFit_1to2_.pdf: two spectra from the same solution (a mixture of 
pure compounds). In this case I just selected one multiplet or singlet 
per compound (formate, myoinositol, acetate and alanine, in this 
example). As you can see, the fitting is not perfect;
2 - specFit_2_.pdf: same solution here the fitting is just for alanine 
including the two multiplets; you can see here that the doublet is not 
well fitted (although I corrected for the difference in intensity).
In either case I optimized the peak position and truncation for each 
peak. Becase the fitting is not so good with singlets I though perhaps 
the line-width was too narrow, but I just wanted to make sure with you 
guys what would be the best approach...

Thanks.


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