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 <[EMAIL PROTECTED]>: > 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 > > > _______________________________________________ > relax (http://nmr-relax.com) > > This is the relax-users mailing list > [email protected] > > To unsubscribe from this list, get a password > reminder, or change your subscription options, > visit the list information page at > https://mail.gna.org/listinfo/relax-users > _______________________________________________ relax (http://nmr-relax.com) This is the relax-users mailing list [email protected] To unsubscribe from this list, get a password reminder, or change your subscription options, visit the list information page at https://mail.gna.org/listinfo/relax-users
