: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
>>>>>>>>>>>>
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>>>>>>>>>>>> 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
>>>>>>>
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>>>>>>> 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
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>>>>>> reminder, or change your subscription options,
>>>>>> visit the list information page at
>>>>>> https://mail.gna.org/listinfo/relax-users
>>>>>>
>>>>>>
>>>>>>
>>>>> _______________________________________________
>>>>> relax (http://nmr-relax.com)
>>>>>
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