CYANA Command: enoe reff: Difference between revisions

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(Created page with " == Parameters == ; normalize=''integer'': (default: ''none'') ; normed =''integer'': (default: ''none'') ; rhoavg =''real'': (default: ''none'') ; time =''string'': (default...")
 
 
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== Parameters ==
== Parameters ==


; normalize=''integer'': (default: ''none'')
; b0field =''real'': (required)
; normed =''integer'': (default: ''none'')
; rhoavg =''real'': (default: ''none'')
; time =''string'': (default: ''none'')


== Description ==
== Description ==


This command initializes the eNORA routine, fits the diagonal decays to obtain the auto-relaxation (rho) values and I(0), normalizes the cross peak intensities and fits the experimental buildups.
This command converts the cross-relaxation rates to distances.  


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 '''b0field''' is the field strength [MHz].
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 * [[CYANA Command: read rho|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"

Latest revision as of 16:01, 11 September 2019

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Parameters

b0field =real
(required)

Description

This command converts the cross-relaxation rates to distances.

The parameter b0field is the field strength [MHz].

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