nv_idpeak ? arg ...?

Return the identity of protons that match the chemical shifts specified with the arguments. For example, nv_idpeak 3.0 4.0, would return a list of pairs of protons, one of which is within a specified tolerance of 3.0 ppm, and the other of which is within the specified tolerance of 4.0 ppm. An additional constra int can be specified so that the protons have to match not only the specified chemical shift, but must be the bonded to an atom of the specified type at the specified chemical shift. For example, nv_idpeak 3.0(C*@54.0) 4.0, would return only protons within the specified tolerance of 3.0 ppm that are bonded to a carbon (of any type, note the wildcard) within the specified tolerance of 54.0 ppm, and any protons within the tolerance of 4.0 ppm. nv_idpeak 3.0(CA*54.0) 8.0(N@117.0), would return only protons within the specified tolerance of 3.0 ppm that are bonded to an alpha carbon at 54.0 ppm, and protons within a specified tolerance of 8.0 ppm bonded to a nitrogen at 117.0 ppm. The tolerance is specified by following the chemical shift value with tolValue. For example, "nv_idpeak 3.0~0.05 6.0~0.1". The tolerance need only be specified the first time the command is used, as it is remembered for subseque nt instances.

nv_idpeak -s

Sort the chemical shift data base. This command should be issued after any changes are made in the chemical shift assignments and prior to using the nv_idpeak command.