Hi, Just a small English suggestion, replacing "where R1 is fitted" with "whereby R1 is fitted". "Where" is associated with a location, hence the words "whereby", "in which", "wherein", or similar would be better.
Cheers, Edward On 5 August 2014 13:52, <[email protected]> wrote: > Author: tlinnet > Date: Tue Aug 5 13:52:51 2014 > New Revision: 24965 > > URL: http://svn.gna.org/viewcvs/relax?rev=24965&view=rev > Log: > Added the equivalend R1 fit models for: TP02, TAP03, MP05 and NS_R1RHO_2SITE. > > The R1 fit modeÃls will no be implemented for 3 site models, because there > will be to many variables. > > sr #3135(https://gna.org/support/?3135): Optimisation of the R1 relaxation > rate for the off-resonance R1rho relaxation dispersion models. > > Modified: > branches/R1_fitting/specific_analyses/relax_disp/variables.py > > Modified: branches/R1_fitting/specific_analyses/relax_disp/variables.py > URL: > http://svn.gna.org/viewcvs/relax/branches/R1_fitting/specific_analyses/relax_disp/variables.py?rev=24965&r1=24964&r2=24965&view=diff > ============================================================================== > --- branches/R1_fitting/specific_analyses/relax_disp/variables.py > (original) > +++ branches/R1_fitting/specific_analyses/relax_disp/variables.py Tue > Aug 5 13:52:51 2014 > @@ -126,15 +126,28 @@ > MODEL_DESC_TP02 = "The Trott and Palmer (2002) off-resonance 2-site model > for R1rho-type experiments." > MODEL_PARAMS_TP02 = ['r2', 'pA', 'dw', 'kex'] > > +MODEL_TP02_FIT_R1 = "%s_fit_r1"%MODEL_TP02 > +MODEL_DESC_TP02_FIT_R1 = "The Trott and Palmer (2002) off-resonance 2-site > model for R1rho-type experiments, where R1 is fitted." > +MODEL_PARAMS_TP02_FIT_R1 = ['r1_fit', 'r2', 'pA', 'dw', 'kex'] > + > MODEL_TAP03 = 'TAP03' > MODEL_DESC_TAP03 = "The Trott, Abergel and Palmer (2003) off-resonance > 2-site model for R1rho-type experiments." > MODEL_PARAMS_TAP03 = ['r2', 'pA', 'dw', 'kex'] > + > +MODEL_TAP03_FIT_R1 = "%s_fit_r1"%MODEL_TAP03 > +MODEL_DESC_TAP03_FIT_R1 = "The Trott, Abergel and Palmer (2003) > off-resonance 2-site model for R1rho-type experiments, where R1 is fitted." > +MODEL_PARAMS_TAP03_FIT_R1 = ['r1_fit', 'r2', 'pA', 'dw', 'kex'] > > MODEL_MP05 = 'MP05' > """The R1rho 2-site off-resonance exchange model of Miloushev and Palmer > (2005).""" > MODEL_DESC_MP05 = "The Miloushev and Palmer (2005) off-resonance 2-site > model for R1rho-type experiments." > MODEL_PARAMS_MP05 = ['r2', 'pA', 'dw', 'kex'] > > +MODEL_MP05_FIT_R1 = "%s_fit_r1"%MODEL_MP05 > +"""The R1rho 2-site off-resonance exchange model of Miloushev and Palmer > (2005).""" > +MODEL_DESC_MP05_FIT_R1 = "The Miloushev and Palmer (2005) off-resonance > 2-site model for R1rho-type experiments, where R1 is fitted." > +MODEL_PARAMS_MP05_FIT_R1 = ['r1_fit', 'r2', 'pA', 'dw', 'kex'] > + > > # The Numerical model names. > MODEL_NS_CPMG_2SITE_3D = 'NS CPMG 2-site 3D' > @@ -160,6 +173,10 @@ > MODEL_NS_R1RHO_2SITE = 'NS R1rho 2-site' > MODEL_DESC_NS_R1RHO_2SITE = "The reduced numerical solution for the 2-site > Bloch-McConnell equations using 3D magnetisation vectors for R1rho-type > experiments, whereby the simplification R20A = R20B is assumed." > MODEL_PARAMS_NS_R1RHO_2SITE = ['r2', 'pA', 'dw', 'kex'] > + > +MODEL_NS_R1RHO_2SITE_FIT_R1 = "%s_fit_r1"%MODEL_NS_R1RHO_2SITE > +MODEL_DESC_NS_R1RHO_2SITE_FIT_R1 = "The reduced numerical solution for the > 2-site Bloch-McConnell equations using 3D magnetisation vectors for > R1rho-type experiments, whereby the simplification R20A = R20B is assumed, > and where R1 is fitted." > +MODEL_PARAMS_NS_R1RHO_2SITE_FIT_R1 = ['r1_fit', 'r2', 'pA', 'dw', 'kex'] > > MODEL_NS_R1RHO_3SITE = 'NS R1rho 3-site' > MODEL_DESC_NS_R1RHO_3SITE = "The numerical solution for the 3-site > Bloch-McConnell equations using 3D magnetisation vectors for R1rho-type > experiments, whereby the simplification R20A = R20B = R20C is assumed." > @@ -251,7 +268,7 @@ > """The list of all dispersion models specifically for analytical R1rho-type > experiments which use R1 in their equations (excluding the R2eff model and > model 'No Rex').""" > > #### Off-resonance R1rho models, where R1 will be fitted. > -MODEL_LIST_ANALYTIC_R1RHO_FIT_R1 = [MODEL_DPL94_FIT_R1] > +MODEL_LIST_ANALYTIC_R1RHO_FIT_R1 = [MODEL_DPL94_FIT_R1, MODEL_TP02_FIT_R1, > MODEL_TAP03_FIT_R1, MODEL_MP05_FIT_R1] > """The list of all dispersion models specifically for R1rho-type experiments > which fit R1 in their equations (excluding the R2eff model and model 'No > Rex').""" > > ### The numerical models. > @@ -260,7 +277,7 @@ > """The list of all dispersion models specifically for numeric R1rho-type > experiments which use R1 in their equations (excluding the R2eff model and > model 'No Rex').""" > > #### Off-resonance R1rho models, where R1 will be fitted. > -MODEL_LIST_NUMERIC_R1RHO_FIT_R1 = [] > +MODEL_LIST_NUMERIC_R1RHO_FIT_R1 = [MODEL_NS_R1RHO_2SITE_FIT_R1] > """The list of all dispersion models specifically for numeric R1rho-type > experiments which fit R1 in their equations (excluding the R2eff model and > model 'No Rex').""" > > ### All R1rho models. > @@ -314,7 +331,7 @@ > """The list of the R2eff model together with all dispersion models.""" > > # The model lists dependent on parameter. > -MODEL_PARAM_INV_RELAX_TIMES = [MODEL_B14, MODEL_B14_FULL, MODEL_MMQ_CR72, > MODEL_NS_CPMG_2SITE_3D, MODEL_NS_CPMG_2SITE_3D_FULL, > MODEL_NS_CPMG_2SITE_EXPANDED, MODEL_NS_CPMG_2SITE_STAR, > MODEL_NS_CPMG_2SITE_STAR_FULL, MODEL_NS_MMQ_2SITE, MODEL_NS_MMQ_3SITE, > MODEL_NS_MMQ_3SITE_LINEAR, MODEL_NS_R1RHO_2SITE, MODEL_NS_R1RHO_3SITE, > MODEL_NS_R1RHO_3SITE_LINEAR] > +MODEL_PARAM_INV_RELAX_TIMES = [MODEL_B14, MODEL_B14_FULL, MODEL_MMQ_CR72, > MODEL_NS_CPMG_2SITE_3D, MODEL_NS_CPMG_2SITE_3D_FULL, > MODEL_NS_CPMG_2SITE_EXPANDED, MODEL_NS_CPMG_2SITE_STAR, > MODEL_NS_CPMG_2SITE_STAR_FULL, MODEL_NS_MMQ_2SITE, MODEL_NS_MMQ_3SITE, > MODEL_NS_MMQ_3SITE_LINEAR, MODEL_NS_R1RHO_2SITE, MODEL_NS_R1RHO_2SITE_FIT_R1, > MODEL_NS_R1RHO_3SITE, MODEL_NS_R1RHO_3SITE_LINEAR] > """The inverted relaxation delay""" > > MODEL_PARAM_R20B = [MODEL_B14_FULL, MODEL_CR72_FULL, > MODEL_NS_CPMG_2SITE_3D_FULL, MODEL_NS_CPMG_2SITE_STAR_FULL] > @@ -347,14 +364,18 @@ > MODEL_DPL94: MODEL_DESC_DPL94, > MODEL_DPL94_FIT_R1: MODEL_DESC_DPL94_FIT_R1, > MODEL_TP02: MODEL_DESC_TP02, > + MODEL_TP02_FIT_R1: MODEL_DESC_TP02_FIT_R1, > MODEL_TAP03: MODEL_DESC_TAP03, > + MODEL_TAP03_FIT_R1: MODEL_DESC_TAP03_FIT_R1, > MODEL_MP05: MODEL_DESC_MP05, > + MODEL_MP05_FIT_R1: MODEL_DESC_MP05_FIT_R1, > MODEL_NS_CPMG_2SITE_3D: MODEL_DESC_NS_CPMG_2SITE_3D, > MODEL_NS_CPMG_2SITE_3D_FULL: MODEL_DESC_NS_CPMG_2SITE_3D_FULL, > MODEL_NS_CPMG_2SITE_STAR: MODEL_DESC_NS_CPMG_2SITE_STAR, > MODEL_NS_CPMG_2SITE_STAR_FULL: MODEL_DESC_NS_CPMG_2SITE_STAR_FULL, > MODEL_NS_CPMG_2SITE_EXPANDED: MODEL_DESC_NS_CPMG_2SITE_EXPANDED, > MODEL_NS_R1RHO_2SITE: MODEL_DESC_NS_R1RHO_2SITE, > + MODEL_NS_R1RHO_2SITE_FIT_R1: MODEL_DESC_NS_R1RHO_2SITE_FIT_R1, > MODEL_NS_R1RHO_3SITE: MODEL_DESC_NS_R1RHO_3SITE, > MODEL_NS_R1RHO_3SITE_LINEAR: MODEL_DESC_NS_R1RHO_3SITE_LINEAR, > MODEL_MMQ_CR72: MODEL_DESC_MMQ_CR72, > @@ -382,14 +403,18 @@ > MODEL_DPL94: MODEL_PARAMS_DPL94, > MODEL_DPL94_FIT_R1: MODEL_PARAMS_DPL94_FIT_R1, > MODEL_TP02: MODEL_PARAMS_TP02, > + MODEL_TP02_FIT_R1: MODEL_PARAMS_TP02_FIT_R1, > MODEL_TAP03: MODEL_PARAMS_TAP03, > + MODEL_TAP03_FIT_R1: MODEL_PARAMS_TAP03_FIT_R1, > MODEL_MP05: MODEL_PARAMS_MP05, > + MODEL_MP05_FIT_R1: MODEL_PARAMS_MP05_FIT_R1, > MODEL_NS_CPMG_2SITE_3D: MODEL_PARAMS_NS_CPMG_2SITE_3D, > MODEL_NS_CPMG_2SITE_3D_FULL: MODEL_PARAMS_NS_CPMG_2SITE_3D_FULL, > MODEL_NS_CPMG_2SITE_STAR: MODEL_PARAMS_NS_CPMG_2SITE_STAR, > MODEL_NS_CPMG_2SITE_STAR_FULL: MODEL_PARAMS_NS_CPMG_2SITE_STAR_FULL, > MODEL_NS_CPMG_2SITE_EXPANDED: MODEL_PARAMS_NS_CPMG_2SITE_EXPANDED, > MODEL_NS_R1RHO_2SITE: MODEL_PARAMS_NS_R1RHO_2SITE, > + MODEL_NS_R1RHO_2SITE_FIT_R1: MODEL_PARAMS_NS_R1RHO_2SITE_FIT_R1, > MODEL_NS_R1RHO_3SITE: MODEL_PARAMS_NS_R1RHO_3SITE, > MODEL_NS_R1RHO_3SITE_LINEAR: MODEL_PARAMS_NS_R1RHO_3SITE_LINEAR, > MODEL_MMQ_CR72: MODEL_PARAMS_MMQ_CR72, > > > _______________________________________________ > relax (http://www.nmr-relax.com) > > This is the relax-commits 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-commits _______________________________________________ relax (http://www.nmr-relax.com) This is the relax-devel 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-devel
