Changes

{{infobox relax release| version = 3.3.5| prev = 3.3.4| next = 3.3.6| type = Major feature and bugfix| date = 27 January 2015| manual = yes}} == Description ==

== Download ==

== CHANGES file ==

=== Features ===

=== Changes ===

* Added save state for testing implementation of error analysis. [https://{{gna.org/task/link|?7882 |text=Task #7882: Implement Monte-Carlo simulation whereby errors are generated with width of standard deviation or residuals]}}.* Simplification of [http://www.nmr-relax.com/api/3.3/test_suite.system_tests.relax_disp.Relax_disp-class.html#test_task_7882_monte_carlo_std_residual system test Relax_disp.test_task_7882_monte_carlo_std_residual], to just test the creation of Monte-Carlo data where errors are drawn from the reduced χ² distribution. [https://{{gna.org/task/?link|7882 |text=Task #7882: Implement Monte-Carlo simulation whereby errors are generated with width of standard deviation or residuals]}}.* Extension of the [http://www.nmr-relax.com/manual/monte_carlo_create_data.html monte_carlo.create_data user function] to draw errors from the reduced χ² Gauss distribution as found by best fit. [https://{{gna.org/task/?7882 link|7882|text=Task #7882: Implement Monte-Carlo simulation whereby errors are generated with width of standard deviation or residuals]}}.* Adding to backend of [http://www.nmr-relax.com/api/3.3/pipe_control.error_analysis-module.html pipe_control.error_analysis()], to modify data point as error drawn from the reduced χ² Gauss distribution. [https://{{gna.org/task/?link|7882 |text=Task #7882: Implement Monte-Carlo simulation whereby errors are generated with width of standard deviation or residuals]}}.* Adding empty API method to return errors from the reduced χ² distribution. [https://{{gna.org/task/?link|7882 |text=Task #7882: Implement Monte-Carlo simulation whereby errors are generated with width of standard deviation or residuals]}}.* Added API function in relaxation dispersion to return error structure from the reduced χ² distribution. [https://gna.org/{{gna task/?link|7882 |text=Task #7882: Implement Monte-Carlo simulation whereby errors are generated with width of standard deviation or residuals]}}.* Temporary test of making a confidence interval as described in fitting guide. This is [http://www.nmr-relax.com/api/3.3/test_suite.system_tests.relax_disp.Relax_disp-class.html#x_test_task_7882_kex_conf system test Relax_disp.x_test_task_7882_kex_conf], which is not activated by default. Running the test, interestingly shows, there is a possibility for a lower global k_ex. But the value only differ from k_ex=1826 to k_ex=1813. [https://{{gna.org/task/?link|7882 |text=Task #7882: Implement Monte-Carlo simulation whereby errors are generated with width of standard deviation or residuals]}}.* Change to [http://www.nmr-relax.com/api/3.3/test_suite.system_tests.relax_disp.Relax_disp-class.html#x_test_task_7882_kex_conf system test Relax_disp.x_test_task_7882_kex_conf()]. This is just a temporary system test, to check for local minima. This is method in regression book of Graphpad: http://www.graphpad.com/faq/file/Prism4RegressionBook.pdf Page: 109-111. [https://{{gna.org/task/?task link|7882 |text=Task #7882: Implement Monte-Carlo simulation whereby errors are generated with width of standard deviation or residuals]}}.* Raising an error, if the [[R2eff]] model is used, and drawing errors from the fit. [https://{{gna.org/task/?link|7882 |text=Task #7882: Implement Monte-Carlo simulation whereby errors are generated with width of standard deviation or residuals]}}.* To [http://www.nmr-relax.com/api/3.3/test_suite.system_tests.relax_disp.Relax_disp-class.html#test_task_7882_monte_carlo_std_residual system test Relax_disp.test_task_7882_monte_carlo_std_residual()], adding test for raise of errors, if the [[R2eff]] model is selected. [https://{{gna.org/task/?link|7882 |text=Task #7882: Implement Monte-Carlo simulation whereby errors are generated with width of standard deviation or residuals]}}.* Added test of argument "distribution" in [http://www.nmr-relax.com/api/3.3/pipe_control.error_analysis-module.html#monte_carlo_create_data pipe_control.error_analysis.monte_carlo_create_data()]. This is to make sure that a wrong argument is not passed into the function. [https://{{gna.org/task/?link|7882 |text=Task #7882: Implement Monte-Carlo simulation whereby errors are generated with width of standard deviation or residuals]}}.* Extended the [http://www.nmr-relax.com/manual/monte_carlo_create_data.html monte_carlo.create_data user function], to allow for the definition of the STD to use in Gauss distribution. This is for creation of Monte-Carlo simulations, where one has perhaps gained information about the expected errors of the data points, which is not measured. [https://{{gna.org/task/?link|7882 |text=Task #7882: Implement Monte-Carlo simulation whereby errors are generated with width of standard deviation or residuals]}}.* In backend [http://www.nmr-relax.com/api/3.3/pipe_control.error_analysis-module.html#monte_carlo_create_data pipe_control.error_analysis.monte_carlo_create_data()] added the argument 'fixed_error' to allow for fixed input of error to the Gauss distribution. Inserted a range of checks, to make sure function behaves as expected. [https://{{gna.org/task/?task link|7882 |text=Task #7882: Implement Monte-Carlo simulation whereby errors are generated with width of standard deviation or residuals]}}.* Added to [http://www.nmr-relax.com/api/3.3/pipe_control.error_analysis-module.html#monte_carlo_create_data pipe_control.error_analysis.monte_carlo_create_data()] the creation of data points for a fixed distribution. [https://{{gna.org/task/?link|7882 |text=Task #7882: Implement Monte-Carlo simulation whereby errors are generated with width of standard deviation or residuals]}}.* To [http://www.nmr-relax.com/api/3.3/test_suite.system_tests.relax_disp.Relax_disp-class.html#test_task_7882_monte_carlo_std_residual system test Relax_disp.test_task_7882_monte_carlo_std_residual()], added tests for creation of Monte-Carlo data by different methods. [https://{{gna.org/task/?link|7882 |text=Task #7882: Implement Monte-Carlo simulation whereby errors are generated with width of standard deviation or residuals]}}.* In [http://www.nmr-relax.com/api/3.3/pipe_control.error_analysis-module.html#monte_carlo_create_data pipe_control.error_analysis.monte_carlo_create_data()], if data is of list type or ndarray, then modify the data point according to the fixed error if the distribution is set to 'fixed'. [https://{{gna.org/task/?link|7882 |text=Task #7882: Implement Monte-Carlo simulation whereby errors are generated with width of standard deviation or residuals]}}.* Expanded the STD acronym, to the meaning of standard deviation. This is in the [http://www.nmr-relax.com/manual/monte_carlo_create_data.html monte_carlo.create_data user function]. [https://{{gna.org/task/?link|7882 |text=Task #7882: Implement Monte-Carlo simulation whereby errors are generated with width of standard deviation or residuals]}}.

=== Bugfixes ===

== Links ==

* [https://{{gna link|url=gna.org/forum/forum.php?forum_id=2492 |text=Gna! news item]}}.

== Announcements ==

== See also ==