[bug #22477] Not possible to perform grace.write() on k_AB parameter for mixed CPMG analysis. -- August 15, 2014 - 15:48

URL:
  <http://gna.org/bugs/?22477>

                 Summary: Not possible to perform grace.write() on k_AB
parameter for mixed CPMG analysis.
                 Project: relax
            Submitted by: tlinnet
            Submitted on: Fri 15 Aug 2014 01:48:36 PM UTC
                Category: relax's source code
Specific analysis category: Relaxation dispersion
                Priority: 5 - Normal
                Severity: 3 - Normal
                  Status: None
             Assigned to: None
         Originator Name: 
        Originator Email: 
             Open/Closed: Open
                 Release: Repository: trunk
         Discussion Lock: Any
        Operating System: All systems

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Details:

Issuing:
grace.write(x_data_type='res_num', y_data_type=param)

  File
"/sbinlab2/tlinnet/software/NMR-relax/relax_trunk/pipe_control/grace.py", line
274, in write
    write_xy_data(data, file=file, graph_type=graph_type, norm=[norm])
  File
"/sbinlab2/tlinnet/software/NMR-relax/relax_trunk/lib/software/grace.py", line
181, in write_xy_data
    error = point[2]

This is possible because, that the final round can have a mix of model CR72
and TSMFK01, where the Monte-Carlo simulations is only estimated for TSMK01,
and k_AB is calculated for CR72.




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