:S It overwrites a pre-existing file! And the important script of all things!!! That'll have to be fixed. Seb, could you submit a bug report for that?
Cheers, Edward On Fri, Oct 24, 2008 at 2:12 PM, Sébastien Morin <[EMAIL PROTECTED]> wrote: > Oh... Sorry... It's still early in the morning here (Quebec City)... > > ... > > Dont' forget to specify a log file... > > LOG -> relax -l LOG script.py > > TEE -> relax -t LOG script.py > > If you just specify the script, the script will be erased by the log... > > Cheers, > > > Séb > > > Sébastien Morin wrote: >> Hi Tyler, >> >> If you want all output from relax to go to a log file, use the option >> '-l'... (relax -l script.py) >> >> If you want all output from relax to go to a file AND the terminal >> (display), use the option '-t'... (relax -t script.py) >> >> These options are visible when typing : ./relax --help (or relax -h) >> >> Good luck ! >> >> >> Séb :) >> >> >> >> Tyler Reddy wrote: >> >>> Okay, I submitted the report. Let me know if there's more information you >>> need >>> or a better way to submit bug reports in general.. haven't done this before. >>> Also, I had to manually copy/paste the output, and while it looks fine, if >>> there is a problem with the same pdb structure getting read twice or >>> something >>> that's probably just my pasting error from the unix terminal to the browser. >>> >>> On that note, how can I fix this command: >>> >>> relax full_analysis.py > STDOUT.txt 2> STDERR.txt >>> tcsh: Ambiguous output redirect. >>> >>> Or better yet, can I merge all the output streams to a single text file and >>> display the output in the terminal at the same time as well (maybe I'm >>> getting >>> too ambitious there..)? >>> >>> Also, I do get the same output for 'ellipsoid' as well, as Seb asked. >>> >>> Yours, >>> >>> Tyler >>> >>> >>> Quoting Edward d'Auvergne <[EMAIL PROTECTED]>: >>> >>> >>> >>>> Hi, >>>> >>>> This issue looks like a problem with the loaded PDB structure. The >>>> 'local_tm' and 'sphere' optimisations do not utilise structural >>>> information, but the 'oblate' and 'prolate' spheroids, and the >>>> 'ellipsoid' all require this info. Normally relax will catch this >>>> problem and deselect the spins without XH bond vectors, but this seems >>>> to be broken in the 1.3 versions hence you get the original cryptic >>>> Python error. As this is a real bug with the relax source code (and >>>> not a yet-to-be converted feature or a sample script), would you be >>>> able to submit a bug report for this issue? The relax bug tracker is >>>> located at https://gna.org/bugs/?group=relax and the link at >>>> https://gna.org/bugs/?func=additem&group=relax allows you to create a >>>> report. That would be much appreciated. >>>> >>>> The bug report will be useful for having this error caught by the >>>> relax test suite - if I can replicate the bug there then I can play >>>> with the bug and fix it. Note the the actual problem occurred earlier >>>> starting with the loading of the PDB file at the structure.read_pdb() >>>> user function. So if you could include all print out from that user >>>> function to the end of the traceback error message, that would be very >>>> useful. >>>> >>>> Cheers, >>>> >>>> Edward >>>> >>>> >>>> On Wed, Oct 22, 2008 at 3:17 AM, Tyler Reddy <[EMAIL PROTECTED]> wrote: >>>> >>>> >>>>> Hi Seb, >>>>> >>>>> I just tested 'oblate' and it produces the same error output. >>>>> >>>>> Tyler >>>>> >>>>> >>>>> Quoting Sébastien Morin <[EMAIL PROTECTED]>: >>>>> >>>>> >>>>> >>>>>> Hi Tyler, >>>>>> >>>>>> Do you get the same error when trying the 'oblate' or 'ellipsoid' >>>>>> diffusion tensors ? >>>>>> >>>>>> >>>>>> Sébastien >>>>>> >>>>>> >>>>>> Tyler Reddy wrote: >>>>>> >>>>>> >>>>>>> I'm having an issue with the full_analysis.py script. It seems to work >>>>>>> fine when >>>>>>> DIFF_MODEL = 'local_tm' or 'sphere' (converges on 4th round) but for >>>>>>> 'prolate' >>>>>>> I get the following output: >>>>>>> >>>>>>> Grid search >>>>>>> ~~~~~~~~~~~ >>>>>>> >>>>>>> Searching the grid. >>>>>>> Traceback (most recent call last): >>>>>>> File "/Applications/relax-1.3.1/relax-1.3/relax", line 408, in >>>>>>> <module> >>>>>>> Relax() >>>>>>> File "/Applications/relax-1.3.1/relax-1.3/relax", line 125, in >>>>>>> __init__ >>>>>>> self.interpreter.run(self.script_file) >>>>>>> File "/Applications/relax-1.3.1/relax-1.3/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_er >>>>>>> File "/Applications/relax-1.3.1/relax-1.3/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/relax-1.3/prompt/interpreter.py", >>>>>>> line 427, in >>>>>>> interact_script >>>>>>> execfile(script_file, local) >>>>>>> File "full_analysis.py", line 673, in <module> >>>>>>> Main(self.relax) >>>>>>> File "full_analysis.py", line 284, in __init__ >>>>>>> grid_search(inc=inc) >>>>>>> File "/Applications/relax-1.3.1/relax-1.3/prompt/minimisation.py", >>>>>>> line 152, >>>>>>> in grid_search >>>>>>> minimise.grid_search(lower=lower, upper=upper, inc=inc, >>>>>>> constraints=constraints, verbosity=verbosity) >>>>>>> File >>>>>>> "/Applications/relax-1.3.1/relax-1.3/generic_fns/minimise.py", line >>>>>>> 185, >>>>>>> in grid_search >>>>>>> grid_search(lower=lower, upper=upper, inc=inc, >>>>>>> constraints=constraints, >>>>>>> verbosity=verbosity) >>>>>>> File >>>>>>> "/Applications/relax-1.3.1/relax-1.3/specific_fns/model_free/mf_minimise.py", >>>>>>> line 479, in grid_search >>>>>>> self.minimise(min_algor='grid', lower=lower, upper=upper, inc=inc, >>>>>>> constraints=constraints, verbosity=verbosity, sim_index=sim_index) >>>>>>> File >>>>>>> "/Applications/relax-1.3.1/relax-1.3/specific_fns/model_free/mf_minimise.py", >>>>>>> line 987, in minimise >>>>>>> results = generic_minimise(func=self.mf.func, dfunc=self.mf.dfunc, >>>>>>> d2func=self.mf.d2func, args=(), x0=param_vector, min_algor=min_algor, >>>>>>> min_options=min_options, func_tol=func_tol, g >>>>>>> l, maxiter=max_iterations, A=A, b=b, full_output=1, >>>>>>> print_flag=verbosity) >>>>>>> File >>>>>>> "/Library/Frameworks/Python.framework/Versions/2.5/lib/python2.5/site-packages/minfx/generic.py", >>>>>>> line 319, in generic_minimise >>>>>>> xk, fk, k = grid(func=func, args=args, grid_ops=min_options, >>>>>>> A=A, b=b, l=l, >>>>>>> u=u, c=c, print_flag=print_flag) >>>>>>> File >>>>>>> "/Library/Frameworks/Python.framework/Versions/2.5/lib/python2.5/site-packages/minfx/grid.py", >>>>>>> line 129, in grid >>>>>>> f = func(*(params,)+args) >>>>>>> File "/Applications/relax-1.3.1/relax-1.3/maths_fns/mf.py", line 506, >>>>>>> in >>>>>>> func_diff >>>>>>> self.diff_data.calc_di(data, self.diff_data) >>>>>>> File >>>>>>> "/Applications/relax-1.3.1/relax-1.3/maths_fns/direction_cosine.py", >>>>>>> line >>>>>>> 64, in calc_spheroid_di >>>>>>> data.dz = dot(data.xh_unit_vector, diff_data.dpar) >>>>>>> TypeError: unsupported operand type(s) for *: 'NoneType' and 'float' >>>>>>> >>>>>>> >>>>>>> >>>>>>> >>>>>>> Quoting Edward d'Auvergne <[EMAIL PROTECTED]>: >>>>>>> >>>>>>> >>>>>>> >>>>>>> >>>>>>>> Hi, >>>>>>>> >>>>>>>> For the bug you mention, I've fixed this and the changes are in the >>>>>>>> repository. There were a few other issues to do with subsequent LaTeX >>>>>>>> compilation and these have been fixed too. You can see the new sample >>>>>>>> script at: http://svn.gna.org/viewcvs/relax/1.3/sample_scripts/ >>>>>>>> >>>>>>>> Regards, >>>>>>>> >>>>>>>> Edward >>>>>>>> >>>>>>>> >>>>>>>> On Tue, Oct 21, 2008 at 3:44 AM, Tyler Reddy <[EMAIL PROTECTED]> wrote: >>>>>>>> >>>>>>>> >>>>>>>> >>>>>>>>> Hello, >>>>>>>>> >>>>>>>>> 1) I changed that line and I'm still having a bit of trouble (see >>>>>>>>> output >>>>>>>>> below). >>>>>>>>> >>>>>>>>> 2) The errors that I'm using are described as 'the standard >>>>>>>>> error for each >>>>>>>>> parameter... [which] is an easy calculation from the covariance >>>>>>>>> matrix.' >>>>>>>>> Paraphrasing from the author there--I'm guessing this isn't the >>>>>>>>> optimal >>>>>>>>> input? >>>>>>>>> >>>>>>>>> 3) I'm not sure it's explicitly stated in the manual, but I'm >>>>>>>>> proceeding on >>>>>>>>> the >>>>>>>>> assumption that you run the multi-model script first and then modsel >>>>>>>>> to >>>>>>>>> decide >>>>>>>>> on the right model for each given residue. A few weeks ago I was >>>>>>>>> experimenting >>>>>>>>> with this and if I didn't leave the global correlation time as fixed >>>>>>>>> the >>>>>>>>> computation seemed to take a VERY long time (unclear if it was >>>>>>>>> ever going to >>>>>>>>> finish). >>>>>>>>> >>>>>>>>> Also, as a side note, since my peptide is actually in a micelle, I'm >>>>>>>>> not >>>>>>>>> sure if >>>>>>>>> there's anything extra I can do for diffusion tensor and >>>>>>>>> correlation time >>>>>>>>> type >>>>>>>>> stuff. I know some programs (i.e. the Mathematica notebooks by Dr. >>>>>>>>> Spyracopoulos) read in PDB files for diffusion tensor >>>>>>>>> calculations, but I >>>>>>>>> suspect it's a bit of a mess when the system is more complicated >>>>>>>>> than the >>>>>>>>> structure in the PDB file would suggest. >>>>>>>>> >>>>>>>>> Output: >>>>>>>>> >>>>>>>>> Latex() >>>>>>>>> ---------------------------------------------------------------------------------------------------- >>>>>>>>> >>>>>>>>> relax> pipe.create(pipe_name='results', pipe_type='mf') >>>>>>>>> >>>>>>>>> relax> results.read(file='results', dir=None) >>>>>>>>> Opening the file 'results' for reading. >>>>>>>>> Traceback (most recent call last): >>>>>>>>> File "/Applications/relax-1.3.1/relax-1.3/relax", line 408, in >>>>>>>>> <module> >>>>>>>>> Relax() >>>>>>>>> File "/Applications/relax-1.3.1/relax-1.3/relax", line 125, in >>>>>>>>> __init__ >>>>>>>>> self.interpreter.run(self.script_file) >>>>>>>>> File "/Applications/relax-1.3.1/relax-1.3/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/relax-1.3/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/relax-1.3/prompt/interpreter.py", >>>>>>>>> line 427, >>>>>>>>> in >>>>>>>>> interact_script >>>>>>>>> execfile(script_file, local) >>>>>>>>> File "latex_mf_table.py", line 220, in <module> >>>>>>>>> Latex() >>>>>>>>> File "latex_mf_table.py", line 68, in __init__ >>>>>>>>> self.table_body() >>>>>>>>> File "latex_mf_table.py", line 186, in table_body >>>>>>>>> self.file.write("%9.3f & %9.3f & " % (spin.s2, spin.s2_err)) >>>>>>>>> AttributeError: 'SpinContainer' object has no attribute 's2_err' >>>>>>>>> >>>>>>>>> >>>>>>>>> >>>>>>>>> Quoting Edward d'Auvergne <[EMAIL PROTECTED]>: >>>>>>>>> >>>>>>>>> >>>>>>>>> >>>>>>>>> >>>>>>>>>> Hi, >>>>>>>>>> >>>>>>>>>> Using a new system test, I found one more bug in the script. This >>>>>>>>>> has >>>>>>>>>> been fixed in the 1.3 repository line. If you haven't used >>>>>>>>>> subversion >>>>>>>>>> to check out (and update) the 1.3 line, then you can see the changes >>>>>>>>>> required in my commit at: >>>>>>>>>> >>>>>>>>>> https://mail.gna.org/public/relax-commits/2008-10/msg00402.html >>>>>>>>>> >>>>>>>>>> Just change the line starting with '-' to the line starting with '+'. >>>>>>>>>> Oh, it may take a few minutes for the link to be generated. >>>>>>>>>> >>>>>>>>>> Regards, >>>>>>>>>> >>>>>>>>>> Edward >>>>>>>>>> >>>>>>>>>> >>>>>>>>>> On Mon, Oct 20, 2008 at 10:12 PM, Edward d'Auvergne >>>>>>>>>> <[EMAIL PROTECTED]> wrote: >>>>>>>>>> >>>>>>>>>> >>>>>>>>>> >>>>>>>>>>> Hi, >>>>>>>>>>> >>>>>>>>>>> That's a bug in the sample script. Try adding a ':' character to >>>>>>>>>>> the >>>>>>>>>>> end of line 171 in your script. I've fixed this in the 1.3 >>>>>>>>>>> repository >>>>>>>>>>> line and will try to add a system test to the program to try to >>>>>>>>>>> catch >>>>>>>>>>> any bugs before you do ;) >>>>>>>>>>> >>>>>>>>>>> Cheers, >>>>>>>>>>> >>>>>>>>>>> Edward >>>>>>>>>>> >>>>>>>>>>> >>>>>>>>>>> >>>>>>>>>>> On Mon, Oct 20, 2008 at 9:27 PM, Tyler Reddy <[EMAIL PROTECTED]> >>>>>>>>>>> wrote: >>>>>>>>>>> >>>>>>>>>>> >>>>>>>>>>> >>>>>>>>>>>> I've been trying to use the latex python script on the aic >>>>>>>>>>>> results file. >>>>>>>>>>>> I get >>>>>>>>>>>> the syntax error below. Not sure if I'm doing something wrong or if >>>>>>>>>>>> there's >>>>>>>>>>>> just a small problem with that line of code: >>>>>>>>>>>> >>>>>>>>>>>> Latex() >>>>>>>>>>>> >>>>>>>>>>>> ---------------------------------------------------------------------------------------------------- >>>>>>>>>>>> Traceback (most recent call last): >>>>>>>>>>>> File "/Applications/relax-1.3.1/relax-1.3/relax", line 408, in >>>>>>>>>>>> <module> >>>>>>>>>>>> Relax() >>>>>>>>>>>> File "/Applications/relax-1.3.1/relax-1.3/relax", line 125, in >>>>>>>>>>>> __init__ >>>>>>>>>>>> self.interpreter.run(self.script_file) >>>>>>>>>>>> File "/Applications/relax-1.3.1/relax-1.3/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/relax-1.3/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/relax-1.3/prompt/interpreter.py", >>>>>>>>>>>> line 427, in >>>>>>>>>>>> interact_script >>>>>>>>>>>> execfile(script_file, local) >>>>>>>>>>>> File "latex_mf_table.py", line 171 >>>>>>>>>>>> for spin, spin_id in spin_loop(return_id=True) >>>>>>>>>>>> SyntaxError: invalid syntax >>>>>>>>>>>> >>>>>>>>>>>> >>>>>>>>>>>> >>>>>>>>>>>> >>>>>>>>>>>> >>>>>>>>>>>> >>>>>>>>>>>> >>>>>>>>>>>> >>>>>>>>>>>> >>>>>>>>>>>> >>>>>>>>>>>> Quoting Edward d'Auvergne <[EMAIL PROTECTED]>: >>>>>>>>>>>> >>>>>>>>>>>> >>>>>>>>>>>> >>>>>>>>>>>> >>>>>>>>>>>>> On Mon, Oct 20, 2008 at 5:12 PM, Tyler Reddy <[EMAIL PROTECTED]> >>>>>>>>>>>>> wrote: >>>>>>>>>>>>> >>>>>>>>>>>>> >>>>>>>>>>>>> >>>>>>>>>>>>>> Hello, >>>>>>>>>>>>>> >>>>>>>>>>>>>> 1) >>>>>>>>>>>>>> >>>>>>>>>>>>>> I have been using the multi model and model selection scripts in >>>>>>>>>>>>>> relax 1.3.2 but >>>>>>>>>>>>>> I have trouble displaying the output in a tabulated format. Both >>>>>>>>>>>>>> scripts seem >>>>>>>>>>>>>> to produce an xml document with various headers that isn't easy >>>>>>>>>>>>>> to >>>>>>>>>>>>>> read. It >>>>>>>>>>>>>> looks like format='columnar' isn't supported. I wonder what other >>>>>>>>>>>>>> options I >>>>>>>>>>>>>> have to look at this data? For some reason, I don't recall having >>>>>>>>>>>>>> this problem >>>>>>>>>>>>>> on a Linux machine a few weeks ago (using a Mac OS 10.4 at the >>>>>>>>>>>>>> moment), but >>>>>>>>>>>>>> anyways it would be nice to get readable model-free output. >>>>>>>>>>>>>> >>>>>>>>>>>>>> >>>>>>>>>>>>>> >>>>>>>>>>>>> The results file is now in XML format and the more readable >>>>>>>>>>>>> 'columnar' >>>>>>>>>>>>> format has been removed from the 1.3 line. With the change >>>>>>>>>>>>> to the new >>>>>>>>>>>>> XML results file all the contents of a data pipe, >>>>>>>>>>>>> irrespective of what >>>>>>>>>>>>> that data is, is packaged. So you can put data into this pipe >>>>>>>>>>>>> yourself and it will save that information (for advanced users, >>>>>>>>>>>>> complex python objects will need the to_xml() and from_xml() >>>>>>>>>>>>> methods >>>>>>>>>>>>> to package and unpackage the data). The reason for removing the >>>>>>>>>>>>> 'columnar' format was that it was considered too inflexible for >>>>>>>>>>>>> the >>>>>>>>>>>>> changes occuring in the 1.3 line, it contained duplicate >>>>>>>>>>>>> information, >>>>>>>>>>>>> had numerical precision issues, and there were alternatives >>>>>>>>>>>>> to easily >>>>>>>>>>>>> view this data. You can use the value.display() and value.write() >>>>>>>>>>>>> user functions to display and save the results for a single >>>>>>>>>>>>> parameter. >>>>>>>>>>>>> If needed, these user functions could be extended to accept >>>>>>>>>>>>> a list of >>>>>>>>>>>>> parameters. >>>>>>>>>>>>> >>>>>>>>>>>>> Then there is the sample_scripts/latex_mf_table.py sample >>>>>>>>>>>>> script which >>>>>>>>>>>>> will generate a LaTeX table of the model-free results. This >>>>>>>>>>>>> file can >>>>>>>>>>>>> be copied and modified - this requires learning a bit of python - >>>>>>>>>>>>> to >>>>>>>>>>>>> format and display the results any way you wish. And finally if >>>>>>>>>>>>> anyone really wants to, and has the skills to, they can modify >>>>>>>>>>>>> this >>>>>>>>>>>>> sample script to recreate a version of the 'columnar' format. >>>>>>>>>>>>> This >>>>>>>>>>>>> could be added to the relax sample scripts, and if their skills >>>>>>>>>>>>> are >>>>>>>>>>>>> very advanced, then much code from the 1.2 relax versions can be >>>>>>>>>>>>> recycled. >>>>>>>>>>>>> >>>>>>>>>>>>> >>>>>>>>>>>>> >>>>>>>>>>>>> >>>>>>>>>>>>> >>>>>>>>>>>>>> 2) >>>>>>>>>>>>>> >>>>>>>>>>>>>> The error input for the relaxation rate parameters is currently >>>>>>>>>>>>>> my >>>>>>>>>>>>>> non-linear >>>>>>>>>>>>>> curve fitting standard deviation. I'm not sure if that means >>>>>>>>>>>>>> subsequent >>>>>>>>>>>>>> analysis will be completely incorrect? I guess it depends on the >>>>>>>>>>>>>> comparison of >>>>>>>>>>>>>> magnitude between these errors and the type of error that is >>>>>>>>>>>>>> propagated by >>>>>>>>>>>>>> relax during its own curve-fitting (which I am unable to do at >>>>>>>>>>>>>> the >>>>>>>>>>>>>> moment). >>>>>>>>>>>>>> >>>>>>>>>>>>>> >>>>>>>>>>>>>> >>>>>>>>>>>>> I'm guessing this is the sum of squared error value (SSE) from the >>>>>>>>>>>>> fit. Or is it a regression coefficient or a chi-squared value? >>>>>>>>>>>>> Did >>>>>>>>>>>>> the fitting use a technique such as bootstrapping or jackknife >>>>>>>>>>>>> simulations to estimate the parameter errors via >>>>>>>>>>>>> propagation? Or did >>>>>>>>>>>>> it use the covariance matrix? If it is the SSE, chi-squared, or >>>>>>>>>>>>> regression coefficient then that value cannot be used. This will >>>>>>>>>>>>> be >>>>>>>>>>>>> wildly wrong and cause massive failure in model selection. It >>>>>>>>>>>>> will >>>>>>>>>>>>> cause big problems in optimisation, and if you are unlucky and >>>>>>>>>>>>> have >>>>>>>>>>>>> spaces with long, curved valleys or flat curved spaces >>>>>>>>>>>>> leading to the >>>>>>>>>>>>> minimum (that's model-free models m5 to m8 in most cases and not >>>>>>>>>>>>> so >>>>>>>>>>>>> uncommon in model m4) then the minimum can be squeezed and appear >>>>>>>>>>>>> in >>>>>>>>>>>>> another completely different region in the space. It will >>>>>>>>>>>>> likely also >>>>>>>>>>>>> cause model failure issues, which although removed by the >>>>>>>>>>>>> eliminate() >>>>>>>>>>>>> user function, might discount the best solution. I would guess >>>>>>>>>>>>> that >>>>>>>>>>>>> all of this will have a measurable affect on the final diffusion >>>>>>>>>>>>> tensor as well and, if so, this will cause the appearance of >>>>>>>>>>>>> artificial motions (my 2007 JBNMR paper at >>>>>>>>>>>>> http://dx.doi.org/10.1039/b702202f explains these problems >>>>>>>>>>>>> in detail). >>>>>>>>>>>>> If one is not careful with the errors and they are >>>>>>>>>>>>> significantly off, >>>>>>>>>>>>> then the result is that the results may not be real. So I >>>>>>>>>>>>> would only >>>>>>>>>>>>> use the error if it comes from an established error propagation >>>>>>>>>>>>> technique (i.e. from data to parameter error propagation). >>>>>>>>>>>>> >>>>>>>>>>>>> Regards, >>>>>>>>>>>>> >>>>>>>>>>>>> Edward >>>>>>>>>>>>> >>>>>>>>>>>>> >>>>>>>>>>>>> >>>>>>>>>>>>> >>>>>>>>>>>> _______________________________________________ >>>>>>>>>>>> relax (http://nmr-relax.com) >>>>>>>>>>>> >>>>>>>>>>>> This is the relax-users mailing list >>>>>>>>>>>> relax-users@gna.org >>>>>>>>>>>> >>>>>>>>>>>> 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 >>>>>>> relax-users@gna.org >>>>>>> >>>>>>> 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 >>>>>> relax-users@gna.org >>>>>> >>>>>> 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 >>>>> relax-users@gna.org >>>>> >>>>> 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 >>>> relax-users@gna.org >>>> >>>> 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 >>> relax-users@gna.org >>> >>> 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 relax-users@gna.org 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