CYANA Command: enoe spindiff: Difference between revisions
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== Description == | == Description == | ||
This command | This command performs the spin diffusion calculations within the eNORA routine. | ||
The diagonal peak to use for normalization is specified by the parameter '''normalize''', using the integers 1 or 2, with the integers referring to the proton dimension in the peak list. | The diagonal peak to use for normalization is specified by the parameter '''normalize''', using the integers 1 or 2, with the integers referring to the proton dimension in the peak list. | ||
Revision as of 16:21, 17 January 2019
Parameters
- b0field =real
- (default: none)
- tauc =real
- (default: none)
- maxdist =real
- (default: none)
- mode =integer
- (default: 1)
- rmode =integer
- (default: 1)
Description
This command performs the spin diffusion calculations within the eNORA routine.
The diagonal peak to use for normalization is specified by the parameter normalize, using the integers 1 or 2, with the integers referring to the proton dimension in the peak list. The parameter normed specifies, if one wants to keep non-normalizable peaks (0) or only peaks that are properly normalized (1).
In practice, many diagonal peak decays cannot be fitted (due to spectral overlap, artifacts, etc.): The parameter rhoavg allows the input of an average auto-relaxation values to be used non specifically [s-1].
A spin-type specific value may be calculated to be read in a file containing spin type specific auto-relaxation values, the same file may be used to read spin-type specific I(0) values, see * read rho.
The parameter time specifies the measured NOE mixing times in ascending order [s]. The NOE mixing times are given as a coma separated list, i.e. time="0.02,0.04,0.06"