Author: bugman Date: Tue Oct 15 18:39:06 2013 New Revision: 21123 URL: http://svn.gna.org/viewcvs/relax?rev=21123&view=rev Log: Added the 'MQ CR72' model to the dispersion variables. This is the Carver and Richards (1972) 2-site model expanded for MQ CPMG data by Korzhnev et al., 2004. This follows the tutorial for adding relaxation dispersion models at: http://wiki.nmr-relax.com/Tutorial_for_adding_relaxation_dispersion_models_to_relax#Adding_the_model_to_the_list Modified: branches/relax_disp/specific_analyses/relax_disp/variables.py Modified: branches/relax_disp/specific_analyses/relax_disp/variables.py URL: http://svn.gna.org/viewcvs/relax/branches/relax_disp/specific_analyses/relax_disp/variables.py?rev=21123&r1=21122&r2=21123&view=diff ============================================================================== --- branches/relax_disp/specific_analyses/relax_disp/variables.py (original) +++ branches/relax_disp/specific_analyses/relax_disp/variables.py Tue Oct 15 18:39:06 2013 @@ -101,15 +101,18 @@ """The numerical solution for the 2-site Bloch-McConnell equations for R1rho data, whereby the simplification R20A = R20B is assumed.""" # The multi-quantum data model names. +MODEL_MQ_CR72 = 'MQ CR72' +"""The Carver and Richards (1972) 2-site model for all time scales extended for MQ CPMG data.""" + MODEL_MQ_NS_CPMG_2SITE = 'MQ NS CPMG 2-site' """The numerical solution for the 2-site Bloch-McConnell equations for MQ CPMG data using 3D magnetisation vectors.""" # The model lists. -MODEL_LIST_DISP = [MODEL_NOREX, MODEL_LM63, MODEL_LM63_3SITE, MODEL_CR72, MODEL_CR72_FULL, MODEL_IT99, MODEL_TSMFK01, MODEL_M61, MODEL_M61B, MODEL_DPL94, MODEL_TP02, MODEL_NS_CPMG_2SITE_3D, MODEL_NS_CPMG_2SITE_3D_FULL, MODEL_NS_CPMG_2SITE_STAR, MODEL_NS_CPMG_2SITE_STAR_FULL, MODEL_NS_CPMG_2SITE_EXPANDED, MODEL_NS_R1RHO_2SITE, MODEL_MQ_NS_CPMG_2SITE] +MODEL_LIST_DISP = [MODEL_NOREX, MODEL_LM63, MODEL_LM63_3SITE, MODEL_CR72, MODEL_CR72_FULL, MODEL_IT99, MODEL_TSMFK01, MODEL_M61, MODEL_M61B, MODEL_DPL94, MODEL_TP02, MODEL_NS_CPMG_2SITE_3D, MODEL_NS_CPMG_2SITE_3D_FULL, MODEL_NS_CPMG_2SITE_STAR, MODEL_NS_CPMG_2SITE_STAR_FULL, MODEL_NS_CPMG_2SITE_EXPANDED, MODEL_NS_R1RHO_2SITE, MODEL_MQ_CR72, MODEL_MQ_NS_CPMG_2SITE] """The list of all dispersion models (excluding the R2eff model).""" -MODEL_LIST_FULL = [MODEL_R2EFF, MODEL_NOREX, MODEL_LM63, MODEL_LM63_3SITE, MODEL_CR72, MODEL_CR72_FULL, MODEL_IT99, MODEL_TSMFK01, MODEL_M61, MODEL_M61B, MODEL_DPL94, MODEL_TP02, MODEL_NS_CPMG_2SITE_3D, MODEL_NS_CPMG_2SITE_3D_FULL, MODEL_NS_CPMG_2SITE_STAR, MODEL_NS_CPMG_2SITE_STAR_FULL, MODEL_NS_CPMG_2SITE_EXPANDED, MODEL_NS_R1RHO_2SITE, MODEL_MQ_NS_CPMG_2SITE] +MODEL_LIST_FULL = [MODEL_R2EFF, MODEL_NOREX, MODEL_LM63, MODEL_LM63_3SITE, MODEL_CR72, MODEL_CR72_FULL, MODEL_IT99, MODEL_TSMFK01, MODEL_M61, MODEL_M61B, MODEL_DPL94, MODEL_TP02, MODEL_NS_CPMG_2SITE_3D, MODEL_NS_CPMG_2SITE_3D_FULL, MODEL_NS_CPMG_2SITE_STAR, MODEL_NS_CPMG_2SITE_STAR_FULL, MODEL_NS_CPMG_2SITE_EXPANDED, MODEL_NS_R1RHO_2SITE, MODEL_MQ_CR72, MODEL_MQ_NS_CPMG_2SITE] """The list of the R2eff model together with all dispersion models.""" MODEL_LIST_CPMG = [MODEL_NOREX, MODEL_LM63, MODEL_LM63_3SITE, MODEL_CR72, MODEL_CR72_FULL, MODEL_IT99, MODEL_TSMFK01, MODEL_NS_CPMG_2SITE_3D, MODEL_NS_CPMG_2SITE_3D_FULL, MODEL_NS_CPMG_2SITE_STAR, MODEL_NS_CPMG_2SITE_STAR_FULL, MODEL_NS_CPMG_2SITE_EXPANDED] @@ -124,10 +127,10 @@ MODEL_LIST_R1RHO_FULL = [MODEL_R2EFF, MODEL_NOREX, MODEL_M61, MODEL_M61B, MODEL_DPL94, MODEL_TP02, MODEL_NS_R1RHO_2SITE] """The list of the R2eff model together with all dispersion models specifically for R1rho-type experiments.""" -MODEL_LIST_MQ_CPMG = [MODEL_NOREX, MODEL_MQ_NS_CPMG_2SITE] +MODEL_LIST_MQ_CPMG = [MODEL_NOREX, MODEL_MQ_CR72, MODEL_MQ_NS_CPMG_2SITE] """The list of all dispersion models specifically for MQ CPMG-type experiments (excluding the R2eff model).""" -MODEL_LIST_MQ_CPMG_FULL = [MODEL_R2EFF, MODEL_NOREX, MODEL_MQ_NS_CPMG_2SITE] +MODEL_LIST_MQ_CPMG_FULL = [MODEL_R2EFF, MODEL_NOREX, MODEL_MQ_CR72, MODEL_MQ_NS_CPMG_2SITE] """The list of the R2eff model together with all dispersion models specifically for MQ CPMG-type experiments.""" MODEL_LIST_MQ_R1RHO = [MODEL_NOREX]