Hi, Ok, I'll push out both the dispersion speed and zooming grid search (+preset parameter and optimisation user function changes) into relax 3.3.0. If you can complete the R1rho plotting branch before I go on holiday at the end of next week, I'll include that too. Otherwise that can be relax 3.3.1. I'm aiming to release this on Wednesday or Thursday next week though if I can't complete the branch, it'll be 2 weeks later.
As for the R1 optimisation, the hardest part would be for you to learn new parts of the relax infrastructure that you haven't worked with before. But I think you'll find this very easy now. As this has different parameters, you'd need new models for each. Just duplicate a current one, add R1 as a parameter, create a new target function which converts the R1 values to the correct numpy structure, and then call the same backend lib.dispersion code. That's it. Regards, Edward On 23 July 2014 16:24, Troels Emtekær Linnet <[email protected]> wrote: > Hi Ed. > > Let it be together in 3.3.0. > > I have no rush to version numbers, and I think the total upgrade is a > good surprise. :-) > > I am currently working with extending the R1rho plotting, which I hope > can go into same version. > sr #3138: (https://gna.org/support/?3138) Interpolating theta through > spin-lock offset [Omega], rather than spin-lock field strength [w1] > sr #3124: (https://gna.org/support/?3124) Grace graphs production for > R1rho analysis with R2_eff as function of Omega_eff > > And then I dream to fix this support request. > sr #3135: (https://gna.org/support/?3135) Optimisation of the R1 > relaxation rate for the off-resonance R1rho relaxation dispersion > models. > > But that would probably be a little more tricky. I will discuss this > on the mailing list later, after the graphs. > > Best > Troels > > 2014-07-23 15:53 GMT+02:00 Edward d'Auvergne <[email protected]>: >> Hi Troels, >> >> I've mentioned this a couple of times: >> >> http://article.gmane.org/gmane.science.nmr.relax.devel/6491 >> http://thread.gmane.org/gmane.science.nmr.relax.scm/22089/focus=6504 >> >> But, as this is your masterpiece, I'll let you choose how it is >> released to the relax user community. Would you prefer to have the >> disp_spin_speed branch code released as relax 3.2.4 by itself? Or >> would you prefer to include it with the specific API changes of the >> zooming_grid_search branch which require the minor version number >> incremented, so this will be relax 3.3.0? >> >> Note that because of the zooming_grid_search changes, scripts for >> relax <= 3.2.x will not be compatible with relax >= 3.3.0. I will >> also complete the zooming_grid_search branch soon, and maybe release >> relax 3.3.0 before the end of next week (unless there are >> complications and the release will be in the second half of August as >> I'll be on holiday). >> >> Cheers, >> >> Edward _______________________________________________ relax (http://www.nmr-relax.com) This is the relax-devel 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-devel
