Hi Danny, Welcome to the NESSY mailing lists! If you do not know who I am, my name is Edward d'Auvergne (a.k.a. bugman) and I am the current maintainer of the NESSY project as well as the project administrator for relax (http://www.nmr-relax.com/), minfx (https://gna.org/projects/minfx/), and bmrblib (https://gna.org/projects/bmrblib/). Note that NESSY is in maintenance mode - the project is currently dormant - so if the issue requires work, there may be no developers available to resolve the bug.
If you have a look at the list of NESSY bugs at http://gna.org/bugs/?group=nessy , you will see that it is the Ishima and Torchia, 1999 model. As you have seen, a lot of model documentation is required for NESSY, but this will require a new developer to volunteer to do this. Note that I came up with the name IT99 while developing the relaxation dispersion analysis in relax (see http://wiki.nmr-relax.com/IT99 ). This name was to simplify the organisation of the large number of relaxation dispersion models published by the field ( http://www.nmr-relax.com/manual/Relaxation_dispersion.html ), to simplify the software module naming and implementation (see http://www.nmr-relax.com/api/4.0/lib.dispersion-module.html ), and to avoid the uncertainty of a model numbering or other system. If you compare the results of the IT99 model in NESSY and relax, you may actually see a difference. From memory, I think there were a number of fixes for the equations due to CGS and SI unit differences ( http://wiki.nmr-relax.com/CGS_versus_SI ) that may not have been ported back to NESSY. Though I cannot be sure without directly comparing the results or source code, which I currently do not have the time to do ( see http://www.nmr-relax.com/api/4.0/lib.dispersion.it99-module.html and http://www.nmr-relax.com/api/4.0/lib.dispersion.it99-pysrc.html vs. the NESSY source code at http://svn.gna.org/viewcvs/nessy/nessy/func/ ). As this is distant memory, it could be that relax and NESSY produce identical results. Anyway, I believe the results in relax to be reliable as we extensively test the code via the test suite. Note that as there is no reference software available from the original authors ( http://www.nmr-relax.com/manual/Comparison_of_dispersion_analysis_software.html ), the IT99 model is the least reliable of all dispersion models as the only cross-check that we could perform was between CPMGFit, NESSY and relax. I cannot remember why the GLOVE software implementation of the IT99 model was not checked. I just remember that implementing this model caused a lot of headaches. Anyway, I hope this info helps. Regards, Edward 2015-10-27 20:27 GMT+01:00 Dan Létourneau <[email protected]>: > Hello, > thanks for a nice software. Which equation is used for model 6 (all > time-scale) fitting? Is there a bibliographical reference for it? Is it IT99 > approximation model? > > Thank you > > Danny Letourneau, Ph. D. > Département Biochimie > Faculté de médecine et des sciences de la santé > 3001, 12e avenue Nord, > Sherbrooke (Québec), J1H 5N4 > 819-820-6868 (ext.: 75711) > [email protected] > > _______________________________________________ > Nessy-users mailing list > [email protected] > https://mail.gna.org/listinfo/nessy-users > _______________________________________________ Nessy-users mailing list [email protected] https://mail.gna.org/listinfo/nessy-users
