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Relax 3.3.9

27 bytes removed, 11:47, 1 October 2015
Converted all of the tracker links to the correct format.
<section begin=changes/>
* 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. Task #7826 ([https://gna.org/task/?7826)Task #7826]: Write an Python class for the repeated analysis of dispersion data.* Added to write out a collection script for chi2 and rate parameters. Task #7826 ([https://gna.org/task/?7826)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. Task #7826 ([https://gna.org/task/?7826)Task #7826]: Write an Python class for the repeated analysis of dispersion data.* Fix for use of " instead of ' in bash script. Task #7826 ([https://gna.org/task/?7826)Task #7826]: Write an Python class for the repeated analysis of dispersion data.* Adding option to minimise class function, to perform Monte Carlo error analysis. Task #7826 ([https://gna.org/task/?7826)Task #7826]: Write an Python class for the repeated analysis of dispersion data.* Printout when minimising Monte Carlo simulations. Task #7826 ([https://gna.org/task/?7826)Task #7826]: Write an Python class for the repeated analysis of dispersion data.* Added additional test to system test Relax_disp.test_bug_23186_cluster_error_calc_dw() to prove that Bug #23619 is invalid. Bug #23619: ([https://gna.org/bugs/index.php?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. Task #7826 ([https://gna.org/task/?7826)Task #7826]: Write an Python class for the repeated analysis of dispersion data.* Added a unit test that triggers the bug. Test added in test_delete_spin_all, and can be accessed with: relax -u _pipe_control.test_spin. Bug #23642 ([https://gna.org/bugs/index.php?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. Bug #23644 [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 N_state_model.test_absolute_T system test. This is to demonstrate a failure of the simulations in certain N-state model setups.
* Added a missing call to monte_carlo.initial_values in the N_state_model.test_absolute_T system test. This fixes the N_state_model.test_absolute_T system test, showing that there is not a problem with the Monte Carlo simulations.
* Created a simple unit test for the new lib.statistics.geometric_mean() function.
* Added a unit test for the new lib.statistics.geometric_std() function.
* Made a summarize function to compare results. Task #7826 ([https://gna.org/task/?7826)Task #7826]: Write an Python class for the repeated analysis of dispersion data.
<section end=changes/>
<section begin=bugfixes/>
* Fix committed, where an empty spin placeholder has the select flag set to False. Bug #23642 ([https://gna.org/bugs/index.php?23642)Bug #23642]: When deleting all spins for a residue, an empty placeholder is where select=True.
<section end=bugfixes/>
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