Re: [task #6438] To relax the BMRB.Re: [task #6438] To relax the BMRB.Hi,Thank you very much for the comments. There is a lot to be considered. I will try to provide a more detailed response to your comments later, but would like to give a quick response now to keep the conversation going.
1. The parentheses are suggested for +,- because within the ASCII 127 character limited of NMR-STAR, subscripts and superscripts are not available. Would there be a better way to construct the nomenclature that can be handled with the limited ASCII values available?
2. The list of enumeration values provided was not intended to be complete. Hopefully the style of nomenclature would be flexible enough to accommodate other coherence types.
3. The isotopic labeling of the molecules studied is defined in the sample description. Depositors should provide a full description including deuteration and any specific site labeling used.
4. Saveframes do exist for cross-correlation dipole-dipole and dipole-CSA relaxation in the dictionary and these kinds of data can be deposited using the ADIT-NMR interface. Comments on how these saveframes are constructed would be much appreciated. In each case, the idea is that the atoms involved are defined for each value reported.
5. The category names could be changed. R1, R2, and R1rho data can be handled in the current T1, T2, and T1rho saveframes, by providing the appropriate units for the val_units tag. I know this does not make you comfortable. I will try to bring this issue up with our Advisory Board to see if they feel the dictionary needs to be changed.
Thank you again, Eldon