Author: bugman
Date: Wed Aug 27 17:40:27 2014
New Revision: 25341
URL: http://svn.gna.org/viewcvs/relax?rev=25341&view=rev
Log:
Fixes for the relax_disp.r2eff_estimate user function documentation.
This is to allow the relax manual to compile again as the original
documentation was causing LaTeX
failures.
Modified:
trunk/user_functions/relax_disp.py
Modified: trunk/user_functions/relax_disp.py
URL:
http://svn.gna.org/viewcvs/relax/trunk/user_functions/relax_disp.py?rev=25341&r1=25340&r2=25341&view=diff
==============================================================================
--- trunk/user_functions/relax_disp.py (original)
+++ trunk/user_functions/relax_disp.py Wed Aug 27 17:40:27 2014
@@ -686,12 +686,17 @@
# Description.
uf.desc.append(Desc_container())
uf.desc[-1].add_paragraph("This is a new experimental feature from version
3.3, and should only be tried out with big care.")
-uf.desc[-1].add_paragraph("This will estimate R2eff and the associated error
by exponential curve fittting through scipy.optimize.leastsq.")
-uf.desc[-1].add_paragraph("scipy.optimize.leastsq is a wrapper around
MINPACK's lmdif and lmder algorithms.")
-uf.desc[-1].add_paragraph("MINPACK is a FORTRAN90 library which solves systems
of nonlinear equations, or carries out the least squares minimization of the
residual of a set of linear or nonlinear equations.")
+uf.desc[-1].add_paragraph("This will estimate R2eff and the associated error
by exponential curve fitting through scipy.optimize.leastsq, which is a wrapper
around the MINPACK lmdif and lmder algorithms. MINPACK is a FORTRAN90 library
which solves systems of nonlinear equations, or carries out the least squares
minimization of the residual of a set of linear or nonlinear equations.")
uf.desc[-1].add_paragraph("Errors are calculated by taking the square root of
the reported co-variance from leastsq.")
uf.desc[-1].add_paragraph("This can be an huge time saving step, when
performing model fitting in R1rho. Errors of R2eff values, are normally
estimated by time-consuming Monte-Carlo simulations.")
-uf.desc[-1].add_paragraph("Initial guess for the starting parameter x0 =
[r2eff_est, i0_est], is by converting the exponential curve to a linear
problem. Then solving initial guess by linear least squares of:
ln(Intensity[j]) = ln(i0) - time[j]* r2eff.")
+uf.desc[-1].add_paragraph("Initial guess for the starting parameter")
+uf.desc[-1].add_verbatim("""
+x0 = [r2eff_est, i0_est],
+""")
+uf.desc[-1].add_paragraph("is by converting the exponential curve to a linear
problem. Then solving initial guess by linear least squares of")
+uf.desc[-1].add_verbatim("""
+ln(Intensity[j]) = ln(i0) - time[j] * r2eff.
+""")
uf.backend = estimate_r2eff
uf.menu_text = "&r2eff_estimate"
uf.gui_icon = "relax.relax_fit"
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