Hi,
If there is anyone on that side interested in adding this GUI, you're
most welcome to have the paper citation for the J(w) mapping GUI in
relax. I.e. as part of an application paper you say that you created
the relax GUI for this. And then in the relax manual, specifically
the "Reduced spectral density mapping references" section of the
preface, the citation for the paper is added there. I will probably
soon place the base citations for each analysis type at the start of
each chapter as well, just to help the relax user know what papers
should be cited. Then if someone uses this GUI, then they should cite
your paper. Although the number of citations won't be huge, the
amount of work involved is also not huge (well, it is a rather trivial
project for someone who knows a little scripting).
Regards,
Edward
On 10 December 2013 09:12, Edward d'Auvergne <edward@xxxxxxxxxxxxx> wrote:
Hi,
Note that I have created a special task for implementing the J(w)
mapping GUI (https://gna.org/task/index.php?7745). This can be used
for developing this in the future, when one of the relax developers
has a bit of free time and would like to play with GUI coding.
Regards,
Edward
On 10 December 2013 09:09, Edward d'Auvergne <edward@xxxxxxxxxxxxx> wrote:
Hi,
Unfortunately there is no GUI for this yet. I have considered it
though as it would be rather trivial to duplicated the model-free GUI
interface, delete all elements unneeded for the spectral density
mapping, and only allow data at a single magnetic field strength.
Seriously, the hardest part will be to come up with a graphic to use
as an icon for the analysis! Creating a GUI test would also be
trivial, just merging the code out of the Jw.test_mapping system test
and the Mf.test_mf_auto_analysis GUI test. A primitive auto-analysis
might need to be created for the GUI use, but that would simply
involve copying the lines from the file sample_scripts/jw_mapping.py
starting from the first calc user function call (putting it into a
class as in the other auto-analyses). I simply haven't had the time
to look at this.
Note that it is possible to use the GUI to do everything that is found
in the sample_scripts/jw_mapping.py script. Simply have a printout of
the script and then run the user functions from the menu one-by-one to
complete the analysis. relax will always show the grey background
with the Ulysses butterfly, but the relax controller will show all
user functions executed and results viewer window will show the files
created. The spin editor window is also fully functional and can be
used to set up the spins of interest. So, even if it isn't very
elegant yet, the GUI can always be used for all analysis types.
Regards,
Edward
On 10 December 2013 08:35, Troels Emtekær Linnet <tlinnet@xxxxxxxxxxxxx>
wrote:
Dear Edward.
A colleague of mine needs to do reduced spectral density mapping.
Is there a GUI to perform such an analysis or is it only available through
scripting?
http://www.nmr-relax.com/manual/J_w_mapping_script_mode_sample_script.html
Best
Troels
Re: Is there a GUI auto-analysis for reduced spectral density mapping.