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[r25454] by bugman

Added a script and log for calculating the exponential curve parameter errors via bootstrapping.

This uses the data at http://thread.gmane.org/gmane.science.nmr.relax.devel/6807/focus=6840 and
calculates the parameter errors via bootstrapping. As the parameters at the minimum are the exact
parameter values, bootstrapping and Monte Carlo simulation converge and hence this is a true error
estimate. 200,000 simulations where used, so the parameter errors are extremely accurate.

2014-08-29 18:45:14 Tree
[r25453] by bugman

Added a script and log for calculating the numerical covariance matrix for an exponential curve.

This uses the data at http://thread.gmane.org/gmane.science.nmr.relax.devel/6807/focus=6840 and
calculates the covariance matrix via the Jacobian calculated using the numdifftools.Jacobian object
construct and obtain the matrix, both at the minimum and at a point away from the minimum. The
covariance is calculated as inv(J^T.W.J).

2014-08-29 18:18:55 Tree
[r25452] by bugman

Created two unit tests showing the target_functions.relax_fit.jacobian_chi2() function is correct.

This compares the calculated chi-squared Jacobian to the numerically integrated values from the
test_suite/shared_data/curve_fitting/numeric_topology/jacobian_chi2.py script.

2014-08-29 16:37:55 Tree
[r25451] by bugman

Fix for the chi-squared Jacobian numerical approximation script.

The function was modified to that a list of chi-squared elements are returned, i.e. the sum part of
the chi-squared equation has been removed.

2014-08-29 16:36:45 Tree
[r25450] by bugman

Added a script and log for calculating the numerical chi-squared Jacobian for an exponential curve.

This uses the data at http://thread.gmane.org/gmane.science.nmr.relax.devel/6807/focus=6840 and
calculates the chi-squared Jacobian using the numdifftools.Jacobian object construct and obtain the
matrix, both at the minimum and at a point away from the minimum. The values will be used to
construct a unit test to check the C module implementation.

2014-08-29 16:24:14 Tree
[r25449] by bugman

Renamed the test_data/shared_data/curve_fitting/numeric_gradient/ directory to numeric_topology.

This is to better reflect that it contains numeric approximations to the gradient, Hessian, and
Jacobian.

2014-08-29 16:20:33 Tree
[r25448] by bugman

Created two unit tests showing the target_functions.relax_fit.jacobian() function is correct.

This compares the calculated Jacobian to the numerically integrated values from the
test_suite/shared_data/curve_fitting/numeric_gradient/jacobian.py script.

2014-08-29 16:18:40 Tree
[r25447] by bugman

Added the log file which should have been committed in the last revision.

2014-08-29 16:06:27 Tree
[r25446] by bugman

Added a script and log file for calculating the numerical Jacobian for an exponential curve.

This uses the data at http://thread.gmane.org/gmane.science.nmr.relax.devel/6807/focus=6840 and
calculates the Jacobian using the numdifftools.Jacobian object construct and obtain the matrix, both
at the minimum and at a point away from the minimum. The values will be used to construct a unit
test to check the C module implementation.

2014-08-29 16:05:20 Tree
[r25445] by bugman

The target_functions.relax_fit C module Python function jacobian_chi2() is now exposed.

This was previously not visible from within Python.

2014-08-29 15:36:01 Tree
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