Trusted, Bureaucrats
4,223
edits
Changes
→Changes: Switched to using a labelled section transclusion for the Tollinger01 reference.
* Added checks to the [http://www.nmr-relax.com/api/3.3/test_suite.system_tests.bmrb.Bmrb-class.html#test_bug_22704_corrupted_state_file Bmrb.test_bug_22704_corrupted_state_file system test]. This is to see if the cdp.exp_info data structure has been correctly restored from the save file.
* Uncommented some checks in the [http://www.nmr-relax.com/api/3.3/test_suite.system_tests.bmrb.Bmrb-class.html#test_bug_22704_corrupted_state_file Bmrb.test_bug_22704_corrupted_state_file system test].
* For relaxation dispersion, modified that the grid search and linear constraints for parameter k<sub>AB</sub> is between 0-100. The parameter is only used in the [[TSMFK01]] model. The k<sub>AB</sub> parameter is only for very slow forward exchange rate. The expected values should according to the reference paper: Tollinger, M{{#lst:Citations|Tollinger01}}., Skrynnikov, N. R., Mulder, F. A. A., Forman-Kay, J. D., and Kay, L. E. (2001). Slow dynamics in folded and unfolded states of an sh3 domain. J. Am. Chem. Soc., 123(46), 11341-11352. (10.1021/ja011300z) The paper concerns values of k<sub>AB</sub> in the region 0.1 to 5.0. If the exchange rate is any higher value of this, then another model should be used for the analysis.
* Set the default insignificance value to 0.0 instead of 1.0. [https://gna.org/task/?7826 Task #7826: Write a Python class for the repeated analysis of dispersion data].
* Modified the grid search limits for parameter k<sub>AB</sub> to be between 0.1 and 20.0 rad.s<sup>-1</sup>. This is for the [[TSMFK01]] model, where values much above 10/20 is not expected.
* Modified the example data, after issue with parameters was fixed.
<section end=changes/>
=== Bugfixes ===