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 spin type specific median and standard deviation of auo-relaxation (opt=2) values and back-predicted diagonal intensities, I(0) values (opt=3) are calculated are written to file. 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).
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.

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.