>PS: I am grappling with the meaning of resolution in NMR. I can see that it >could be related to comparable data/parameter ratios, although I am even >less clear about the weights of NMR restraint weights than in the case of MX... >some cross-trained person out there who can explain?
Dear Bernhard, As a cross-trained person, I am trying to answer your question about NMR related stuff and hopefully not create more confusion. As far as I know, the meaning of 'resolution' in NMR comes from the calculated structures (products), not from the NMR signals (experimental data) themselves. Of course, the ensemble of structures calculated from NMR are derived from the restraints obtained from the experimental data such as NOE, RDC, PRE, etc.. Thus, the 'average resolution' calculated from the ensemble of structures reflect the variations in the three-dimensional coordinate space. >without ever having looked at an NMR experiment, intuitively the >resolution of an NMR experiment should be given as the magnitude of the >minimal chemical shift that could be observed/distinguished. Regarding Tim's comments, I think he is referring to the 'linewidths' of NMR signals. I am sure that some people could try to come up with the 'new definition of resolution' in NMR that is related to the linewidths of signals (and try to convince other people, which may be even more difficult), but the linewidths in different experiments are coming from different parameters, and I don't know how one can correlate the linewidths to the resolution... Sangwon Lee Postdoctoral Associate Yale School of Medicine
