I am using the chemical shift mapping module to analize titrations. I get a different bar plot when using a spectrum group containing all the titration spectra vs when I use a spectrum group with just 2 of the spectra: the reference spectrum and the last titration point spectrum.
Additionally, the paterns I get when doing the chemical shift perturbation manually in excel (using a different equation) are different to the paterns on the bar plot of this module.
Could someone please help me to figure out what is going on? Thanks in advance!