r26867 - /trunk/test_suite/shared_data/curve_fitting/inversion_recovery/calc.py -- November 30, 2014 - 00:57

Author: bugman
Date: Sun Nov 30 00:57:32 2014
New Revision: 26867

URL: http://svn.gna.org/viewcvs/relax?rev=26867&view=rev
Log:
Added a script for calculating the expected peak intensities for an inversion 
recovery curve.

This is based on the values used by Sébastien Morin in his inversion-recovery 
branch, as the
check_curve_fitting_exp_3param_inv_neg() function of the 
test_suite/system_tests/relax_fit.py file.


Added:
    trunk/test_suite/shared_data/curve_fitting/inversion_recovery/calc.py

Added: trunk/test_suite/shared_data/curve_fitting/inversion_recovery/calc.py
URL: 
http://svn.gna.org/viewcvs/relax/trunk/test_suite/shared_data/curve_fitting/inversion_recovery/calc.py?rev=26867&view=auto
==============================================================================
--- trunk/test_suite/shared_data/curve_fitting/inversion_recovery/calc.py     
  (added)
+++ trunk/test_suite/shared_data/curve_fitting/inversion_recovery/calc.py     
  Sun Nov 30 00:57:32 2014
@@ -0,0 +1,14 @@
+# Python module imports.
+from math import exp
+
+
+# Data.
+relax_times = [0.2, 0.45, 0.75, 0.75, 1.1, 1.5, 1.95, 1.95, 2.45]
+rx = 1.2
+i0 = 30
+iinf = 22
+
+# Calculate I(t) for each t.
+for time in relax_times:
+    print("%s, %s" % (time, iinf - i0 * exp(-rx*time)))
+