CYANA Command: enoe diag: Difference between revisions

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This command fits the diagonal decays to obtain the auto-relaxation (rho) values  and back-predicted diagonal intensities, I(0) values.  
This command fits the diagonal decays to obtain the auto-relaxation (rho) values  and back-predicted diagonal intensities, I(0) values.  


The parameter '''opt''' specifies if ....
The parameter '''opt''' specifies if the spin type specific median and standard deviation of auto-relaxation (opt=2) values and back-predicted diagonal intensities, I(0) values (opt=3) are calculated. With the back-predicted diagonal intensities there is a pdf file generated containing plots of the fitted intensities divided according to classes with the mean (green line) and std deviation (red line). With the default setting (opt=1), no auto-relaxation values and  back-predicted diagonal intensities, I(0) values are calculated, instead the user may read a file or set the value(s) using the atom set command.


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]].
In the case of single mixing time measurements, the auo-relaxation value are omitted and the back-predicted diagonal intensities, I(0) values are replaced by the diagonal intensities values measured at the specific mixing time.

Latest revision as of 16:10, 20 November 2019

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Parameters

opt=integer
(default: 1)
plot =string
(default: izPlot)

Description

This command fits the diagonal decays to obtain the auto-relaxation (rho) values and back-predicted diagonal intensities, I(0) values.

The parameter opt specifies if the spin type specific median and standard deviation of auto-relaxation (opt=2) values and back-predicted diagonal intensities, I(0) values (opt=3) are calculated. With the back-predicted diagonal intensities there is a pdf file generated containing plots of the fitted intensities divided according to classes with the mean (green line) and std deviation (red line). With the default setting (opt=1), no auto-relaxation values and back-predicted diagonal intensities, I(0) values are calculated, instead the user may read a file or set the value(s) using the atom set command.

In the case of single mixing time measurements, the auo-relaxation value are omitted and the back-predicted diagonal intensities, I(0) values are replaced by the diagonal intensities values measured at the specific mixing time.