Re: Relax_fit.py problem -- October 08, 2008 - 18:18

To get past this requirement I added or subtracted the last digit for 
each peak
height for the data set to make a pseudo-replicate data set (2 identical files
will still get a 0 value division problem). The program goes through the Monte
Carlo simulations, but doesn't quite finish, with the follow output:

relax> monte_carlo.error_analysis(prune=0.0)

relax> value.write(run=None, param='rx', file='rx.out', dir=None, force=True)
RelaxError: The run argument None must be a string.





Quoting Tyler Reddy <TREDDY@xxxxxx>:

> Hello,
>
> It seems that Relax_fit.py requires replicate data because average 
> and standard
> deviation values are used downstream in the analysis. With no replicate data
> (since I don't have any) the output is shown below. Also, commenting out the
> average and error propagation across multiple spectra
>
> #relax_fit.mean_and_error()
>
> doesn't work either, and I get another error output that is looking for an
> averaged value. I'll probably try using a duplicate data set to 
> circumvent this
> for now (unless this is actually another problem).
>
> Tyler
>
> Output:
>
> relax> relax_fit.mean_and_error()
>
> Calculating the average intensity and standard deviation of all spectra.
>
> Time point:  0.01 s
> Number of spectra:  1
> Standard deviation for time point 0:  0.0
>
> Time point:  0.050000000000000003 s
> Number of spectra:  1
> Standard deviation for time point 1:  0.0
>
> Time point:  0.10000000000000001 s
> Number of spectra:  1
> Standard deviation for time point 2:  0.0
>
> Time point:  0.20000000000000001 s
> Number of spectra:  1
> Standard deviation for time point 3:  0.0
>
> Time point:  0.29999999999999999 s
> Number of spectra:  1
> Standard deviation for time point 4:  0.0
>
> Time point:  0.5 s
> Number of spectra:  1
> Standard deviation for time point 5:  0.0
>
> Time point:  0.80000000000000004 s
> Number of spectra:  1
> Standard deviation for time point 6:  0.0
> Traceback (most recent call last):
>  File "/Applications/relax-1.3.1/relax", line 408, in <module>
>    Relax()
>  File "/Applications/relax-1.3.1/relax", line 125, in __init__
>    self.interpreter.run(self.script_file)
>  File "/Applications/relax-1.3.1/prompt/interpreter.py", line 270, in run
>    return run_script(intro=self.__intro_string, local=self.local,
> script_file=script_file, quit=self.__quit_flag, 
> show_script=self.__show_script,
> raise_relax_error=self.__raise_relax_error)
>  File "/Applications/relax-1.3.1/prompt/interpreter.py", line 531, in
> run_script
>    return console.interact(intro, local, script_file, quit,
> show_script=show_script, raise_relax_error=raise_relax_error)
>  File "/Applications/relax-1.3.1/prompt/interpreter.py", line 427, in
> interact_script
>    execfile(script_file, local)
>  File "relax_fit_T1_500Mhz.py", line 45, in <module>
>    relax_fit.mean_and_error()
>  File "/Applications/relax-1.3.1/prompt/relax_fit.py", line 96, in
> mean_and_error
>    relax_fit_obj.mean_and_error()
>  File "/Applications/relax-1.3.1/specific_fns/relax_fit.py", line 729, in
> mean_and_error
>    sd = sd / float(num_dups)
> ZeroDivisionError: float division
>
>
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