Dear Stefan, Welcome to the relax mailing lists. There are a few ways that you can see this. I'm assuming you would like to perform a model-free analysis. The first is to use the full_analysis.py sample script (or noe.py or relax_fit.py for the relaxation rates). These scripts are by themselves very self explanatory. There is no full data set for testing, as a full model-free analysis using the high precision and accuracy of relax, together with the new protocol for simultaneously finding the diffusion tensor and internal dynamics (see http://www.nmr-relax.com/refs.html), can take up to 2 weeks. However there is a very minimal test set within the relax test suite, though it is not functional yet. One test - which took 2 weeks when I ran it - is to take the OMP data from:
Gitti RK, Wright NT, Margolis JW, Varney KM, Weber DJ, Margolis FL (2005) Backbone dynamics of the olfactory marker protein as studied by 15N NMR relaxation measurements. Biochemistry 44(28):9673–9679 and then perform model-free analysis using full_analysis.py and compare the final results to: d'Auvergne, E. J. and Gooley, P. R. (2008). Optimisation of NMR dynamic models II. A new methodology for the dual optimisation of the model-free parameters and the Brownian rotational diffusion tensor. J. Biomol. NMR, 40(2), 121-133. (http://dx.doi.org/10.1007/s10858-007-9213-3) The OMP relaxation data has been attached to the task https://gna.org/task/?6847, downloadable from https://gna.org/task/download.php?file_id=7601. I hope this helps. The relax manual explains this a little, but is not very comprehensive in this area. Regards, Edward On 19 October 2010 16:25, SMV Freund <[email protected]> wrote: > >> I would like to use relax to standardise our relaxation fitting. Is >> there a test dataset e.g. for ubiquitin to benchmark our installation and >> to understand input / output data file structure / scripts etc? > > > > > _______________________________________________ > relax (http://nmr-relax.com) > > This is the relax-users 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-users > _______________________________________________ relax (http://nmr-relax.com) This is the relax-users 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-users
