Is there a way to clear the Monte Carlo simulation data key?

2014-08-28 Thread Troels Emtekær Linnet
Dear Edward. Is there a way to clear the Monte Carlo simulation data key? I try to run some data with increasing number of Monte Carlo simulations. Thank you. Best Troels ___ relax (http://www.nmr-relax.com) This is the relax-users mailing list

Re: Is there a way to clear the Monte Carlo simulation data key?

2014-08-28 Thread Edward d'Auvergne
Hi, Could you describe a situation that covers this? What do you mean by the Monte Carlo simulation data key? In the data pipe and spin containers, the Monte Carlo simulation optimisation results are usually stored in the *_sim data structures as lists, and the errors from the simulations in

Re: Is there a way to clear the Monte Carlo simulation data key?

2014-08-28 Thread Troels Emtekær Linnet
Allright, I found a fix. # Make Carlo Simulations number mc_number_list = range(5, 100, 20) sim_attr_list = ['chi2_sim', 'f_count_sim', 'g_count_sim', 'h_count_sim', 'i0_sim', 'iter_sim', 'peak_intensity_sim', 'r2eff_sim', 'select_sim', 'warning_sim'] # Loop over the Monte Carlo simulations:

Re: Is there a way to clear the Monte Carlo simulation data key?

2014-08-28 Thread Edward d'Auvergne
Hi, Maybe you should consider adding this to the monte_carlo.setup user function? Is the problem that you cannot run Monte Carlo simulations twice with a different number of simulations? This should really be handled by monte_carlo.setup. Regards, Edward On 28 August 2014 11:25, Troels