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)))
+
_______________________________________________
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
