Dear Wei Xia, Sorry for the delayed response. I've been on a three week holiday in Australia after the ICMRBS conference in San Diego, but I'm back now and can respond better to queries about relax. I've had a better look at the 'relax_fit.py' sample script and the relax code and the feature you are asking about is not fully activated yet. I had this scenario in the back of my mind when coding this part of relax, but I never completed it. But if you are prepared to be persistent with me, I think I can quickly develop this code for you.
These changes will need to go into the 1.3 repository line, which can be obtained by typing one of: $ svn co svn://svn.gna.org/svn/relax/1.3 relax-1.3 or if this doesn't work: $ svn co http://svn.gna.org/svn/relax/1.3 relax-1.3 You will need the Subversion program installed to do this. Actually, I'll create a special branch for this code. Done. Ok, so instead type one of: $ svn co svn://svn.gna.org/svn/relax/branches/spectral_errors or: $ svn co http://svn.gna.org/svn/relax/branches/spectral_errors You'll then have a copy of the code in the directory 'spectral_errors'. The way I would plan on doing this is to convert the 'noe.error()' user function which is part of the NOE analysis into a more generic 'spectrum.error()' so that the relaxation curve fitting can use this function as well. With this idea, it would be necessary for you to measure the RMSD of the base plane noise in many regions of each spectrum and then input a value reasonable for the errors in the random coil region of your spectra. If this error is input for each spectrum, then these can be used for the Monte Carlo simulation error analysis. What do you think? Regards, Edward On Thu, Sep 11, 2008 at 5:59 PM, xia,wei <[EMAIL PROTECTED]> wrote: > Hello, > > I have tried to use the relax standard script to do curve-fitting for T1. > However I just got one set of relaxation data(/i.e./ 5ms X 1, 120ms X 1, > 240ms X1 ......), is it possible to use the > script to fit the data? > > Could anybody give me some suggestion how to do it? > Thanks! > > -- > ==================== > Xia,Wei > Department of Chemistry > The University of Hong Kong > Pokfulam Road, Hong Kong > P.R.China > > > _______________________________________________ > 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
