CYANA Command: enoe init: Difference between revisions
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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. | ||
The parameter '''normed''' specifies, if one wants to keep non-normalizable peaks (0) or only peaks that are properly normalized (1). | The parameter '''normed''' specifies, if one wants to keep non-normalizable peaks (0) or only peaks that are properly normalized (1). | ||
The parameter '''rhoavg''' | |||
In practice, many diagonal peak decays cannot be fitted (due to spectral overlap, artifacts, etc.). Therefore, either a general average auto-relaxation rate or a spin-type specific value may be calculated in order to increase the number of calculated eNOEs. | |||
The parameter '''rhoavg''' allows the input of an average auto-relaxation values to be used non specifically. However, it is also possible to read in a file containing spin type specific auto-relaxation values. | |||
Revision as of 12:56, 17 January 2019
Parameters
- normalize=integer
- (default: none)
- normed =integer
- (default: none)
- rhoavg =real
- (default: none)
- time =string
- (default: none)
Description
Following the reading of peak lists, this command initializes the eNORA routine, fits the diagonal decays to obtain the auto-relaxation values and I(0), normalizes the cross peak intensities and fits the experimental buildups.
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.). Therefore, either a general average auto-relaxation rate or a spin-type specific value may be calculated in order to increase the number of calculated eNOEs. The parameter rhoavg allows the input of an average auto-relaxation values to be used non specifically. However, it is also possible to read in a file containing spin type specific auto-relaxation values.