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{{infobox relax release| version = 3.3.9| prev = 3.3.8| next = 4.0.0| keywords = N-state model, relaxation dispersion| type = Minor feature| date = 30 September 2015| manual = yes}} == Description ==
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== Download ==
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== CHANGES file ==
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=== Features ===
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=== Changes ===
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* Wrote a method to store parameter data and dispersion curves, for the protocol of repeated CPMG analysis. This is to prepare for analysis in other programs. The method loops through the data pipes, and writes the data out. It then writes a bash script that will concatenate the data in an matrix array style, for reading and processing in other programs. [https://{{gna.org/task/?link|7826 |text=Task #7826: Write an Python class for the repeated analysis of dispersion data]}}.* Added to write out a collection script for χ<sup>2</sup> and rate parameters. [https://{{gna.org/task/?link|7826 |text=Task #7826: Write an Python class for the repeated analysis of dispersion data]}}.* In the collection bash script, removes spins which have not been fitted. [https://{{gna.org/task/?link|7826 |text=Task #7826: Write an Python class for the repeated analysis of dispersion data]}}.* Fix for use of " instead of ' in bash script. [https://{{gna.org/task/?link|7826 |text=Task #7826: Write an Python class for the repeated analysis of dispersion data]}}.* Adding option to [http://www.nmr-relax.com/api/3.3/auto_analyses.relax_disp_repeat_cpmg.Relax_disp_rep-class.html#minimise_execute minimise class function], to perform Monte Carlo error analysis. [https://{{gna.org/task/?link|7826 |text=Task #7826: Write an Python class for the repeated analysis of dispersion data]}}.* Printout when minimising Monte Carlo simulations. [https://{{gna.org/task/?link|7826 |text=Task #7826: Write an Python class for the repeated analysis of dispersion data]}}.
* Added additional test to [http://www.nmr-relax.com/api/3.3/test_suite.system_tests.relax_disp.Relax_disp-class.html#test_bug_23186_cluster_error_calc_dw system test Relax_disp.test_bug_23186_cluster_error_calc_dw()] to prove that Bug #23619 is invalid. [https://gna.org/bugs/?23619 Bug #23619: Stored chi2 sim values from Monte Carlo simulations does not equal normal chi2 values].
* Small fix for the shell script to collect data files, and not use the program "column" in the end. The line width becomes to large to handle for column. [https://{{gna.org/task/?link|7826 |text=Task #7826: Write an Python class for the repeated analysis of dispersion data]}}.* Added a unit test that triggers the bug. Test added in [http://www.nmr-relax.com/api/3.3/test_suite.unit_tests.spin_testing_base.Spin_base_class-class.html#test_delete_spin_all test_delete_spin_all], and can be accessed with: relax -u _pipe_control.test_spin. [https://gna.org/bugs/?23642 Bug #23642]: When deleting all spins for a residue, an empty placeholder is where select=True].
* Added sample data and analysis script, that will eventually show that there is not much difference in the sample statistics used for comparing the output of two very similar datasets. This is a multiple comparison test with many T-tests at once, where the familywise error is controlled by the Holm method. Even if the values are close to equal, and within the standard deviation, this procedure will reject up to 20% of the null hypothesis. This is not deemed as a suitable method. [https://gna.org/bugs/?23644 Bug #23644: monte_carlo.error_analysis() does not update the mean value/expectation value from simulations].
* Added Monte Carlo simulations to the [http://www.nmr-relax.com/api/3.3/test_suite.system_tests.n_state_model.N_state_model-class.html#test_absolute_T N_state_model.test_absolute_T system test]. This is to demonstrate a failure of the simulations in certain N-state model setups.
* Created a simple unit test for the new [http://www.nmr-relax.com/api/3.3/lib.statistics-module.html#geometric_mean lib.statistics.geometric_mean() function].
* Added a unit test for the new [http://www.nmr-relax.com/api/3.3/lib.statistics-module.html#geometric_std lib.statistics.geometric_std() function].
* Made a summarize function to compare results. [https://{{gna.org/task/?link|7826 |text=Task #7826: Write an Python class for the repeated analysis of dispersion data]}}.
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=== Bugfixes ===
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== Links ==
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For reference, the announcement for this release can also be found at following links:
* [http://wiki.nmr-relax.com/Relax_3.3.8 9 Official release notes on the relax wiki].* [https://{{gna link|url=gna.org/forum/forum.php?forum_id=2496 2513|text=Gna! news item]}}.
* [http://article.gmane.org/gmane.science.nmr.relax.announce/67 Gmane mailing list archive].
* [http://www.mail-archive.com/relax-announce%40gna.org/msg00057msg00058.html The Mail Archive].* [https://mail.gna.org/public/relax-announce/2015-0410/msg00000.html Local archives].* [https://marc.info/?l=relax-announce&m=142628131518605144376869310288&w=2 Mailing list ARChives (MARC)].
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== Announcements ==
{{:relax release announcements}}
== See also ==
* [http://www.nmr-relax.com/api/3.3/ The relax 3.3 API documentation]
{{:relax release see also}}
[[Category:Relaxation dispersion analysis]]