Hi, Have a look at the contents of the results files. This will tell to the variable names of the relax data store. If you would like access to the current data pipe, this is now accessible in a script as 'cdp'. The structures under the 'global' XML tag in the results file are directly accessible from the pipe structure. So if you want the chi2 value for the current data pipe, you would access 'cdp.chi2'. The spin specific data is a bit more challenging. For this, I would recommend the spin loop using the code: from generic_fns.mol_res_spin import spin_loop for spin in spin_loop(): print spin With the redesign of the relax 1.3 line, it should be now easier to access the relax data store. Data is now stored in special 'data pipes' which are data containers for isolating different analyses. The user functions work on the current data pipe. Looking into the script at that link, this will require a lot of work. The model_statistics function is now buried deep in relax and not really very accessible for a script any more, so if you need this, another way might need to be found. Anyway, I hope this helps. Regards, Edward On 17 October 2011 18:11, V.V. <vvostri@xxxxxxxxx> wrote:
Hi Edward, I would like to look at the calculation progress, by extracting the chi2 values from the results in tensor/round_*/opt folder. A while ago a script for this was posted (https://mail.gna.org/public/relax-users/2007-06/msg00017.html), but the relax syntax changed since then. I have figured out the beginning, but not sure where the MF parameters are called (chisq=self.relax.data.chi2[name] in the older script). Thank you, Vitaly