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Links to Troels' Gna! page.
* Fix for the dispersion auto-analysis - p<sub>A</sub> and p<sub>B</sub> parameters are no longer output for the [[IT99]] model. These are not parameters of this model.
* Updated the relax results for Flemming Hansen's truncated CPMG data for all the recent changes.
* Fix for [https://gna.org/bugs/?20916 bug #2091 - Suggestion for Python script for PNG/EPS/SVG conversion of grace files]. [https://gna.org/users/tlinnet Troels Linnet ] provided this patch, and was discovered during work on a Windows 7 system. This patch will provide a grace2images.py file in each folder where a call to specific_analyses/relax_disp/disp_data.py is called. It is called in plot_disp_curves(dir=None, force=None) and call the function lib.software.grace.script_grace2images(). The conversion script can be executed in Linux and Windows, if the PATH to xmgrace has been specified. It will look in a folder for grace files of ending *.agr and by default convert to PNG. One can also convert to EPS and SVG. Probably more options could be added, as PDF. The conversion depends on xmgrace compilation, and so PNG conversion is for fast inspection of graphs in folder, and EPS for further external conversion to PDF etc. The patch, the output file, and small script to test is attached. I miss to make the file executable in relax, so the script can be executed directly in Linux.
* Mac OS X bug fix for the new analysis GUI wizard. The blank button is now using the blank_150x150.png file instead of no image, preventing nasty wxPython bugs from appearing on that system.
* Fix for [https://gna.org/bugs/?20917 bug #20917]. The problem is that the Grace files for each spin system are not created by the [http://www.nmr-relax.com/manual/relax_disp_plot_disp_curves.html relax_disp.plot_disp_curves user function] as the ':' character cannot be placed in a file name in MS Windows. All of the file name from the ':' onwards is lost. The solution is to replace each of the characters '#:@' in the spin ID string with '_'.
* Another update of the relax results for Flemming Hansen's truncated CPMG data. This includes the grace2images.py script creation contributed by Troels Linnet ([https://gna.org/users/tlinnet) Troels Linnet] and the change of the file name of the per-spin dispersion curves.
* The value checks in the Relax_disp.test_hansen_cpmg_data_auto_analysis system test are now less precise. This is to allow the tests to pass on certain MS Windows systems.
* Fix for the setting of the execute permissions on the grace2images.py scripts. The problem was identified in the post at http://thread.gmane.org/gmane.science.nmr.relax.devel/3953/focus=4000. This is within the [http://www.nmr-relax.com/manual/relax_disp_plot_disp_curves.html relax_disp.plot_disp_curves user function] after the grace2images.py script has been created. The commit matches the changes from trunk for the Modelfree4 batch script.
* Implemented the [http://www.nmr-relax.com/manual/relax_disp_spin_lock_offset.html relax_disp.spin_lock_offset user function]. This includes both the front end and the back end specific_analyses.relax_disp.disp_data.spin_lock_offset() function.
* The offset is now set for all spectra in the Relax_disp.test_r1rho_off_res_fixed_time_tp02 system test. Previously only the reference was set.
* Fixed a typo in the dispersion chapter of the user manual. This was identified by [https://gna.org/users/tlinnet Troels Linnet ] at http://thread.gmane.org/gmane.science.nmr.relax.devel/4410.
* Fix for the [http://www.nmr-relax.com/manual/relax_disp_spin_lock_offset.html relax_disp.spin_lock_offset user function]. The cdp.dispersion_points structure was being updated when it should not be touched - a remnant of the relax_disp.spin_lock_field backend which this code was copied from.
* Added some more arguments to the dispersion target function class for off-resonance R<sub>1ρ</sub> models. This is the structure for the spin-lock offsets and the tilt angles for each spin.
* Turned off clustering in the Relax_disp.test_r1rho_off_res_fixed_time_tp02 system test. This speeds the test up by more than half.
* Fix for the [[TP02]] dispersion model. The rotating frame tilt angle for this model is calculated from the population averaged chemical shift and not the equal weighted average.
* Attempt at fixing [https://gna.org/bugs/?21080 bug #21080]. This was reported by [https://gna.org/users/tlinnet Troels Linnet]. The problem is a standard GUI problem. The text from a wxPython GUI is a Unicode string. But relax requires standard strings. Therefore the gui.string_conv.gui_to_str() function needs to be used on the return value of the GUI element GetValue() method, but this call was forgotten.
* Fix for the synthetic data for the [[TP02]] dispersion model. The chemical shift is being set to that of state A, the major species, rather than the non-weighted chemical shift average. This could also have been set to the population weighted average.
* The [[TP02]] dispersion model now assumes the chemical shift is that of the major population A. Previously the linear chemical shift average was assumed.
* Fix for the [[NS CPMG 2-site expanded]] model equations in the manual.
* Better section spacing in the dispersion chapter of the manual. Each model section is now on a new page.
* Fix for the display of the spin-lock ν<sub>1</sub> values in the dispersion GUI tab. This was reported by [https://gna.org/users/tlinnet Troels ] at http://thread.gmane.org/gmane.science.nmr.relax.devel/4708. The GUI spectrum element at gui.components.spectrum was at fault, the add_disp_point() method was buggy.
* Fix for the right click pop up menu entry "Set the spin-lock field" in the dispersion GUI tab. This is for the spectra list [http://www.nmr-relax.com/manual/relax_disp_spin_lock_field.html relax_disp.spin_lock_field user function] call. The reference spectra are now detected and the field value set to None. This fix has been propagated to the [http://www.nmr-relax.com/manual/relax_disp_cpmg_frq.html relax_disp.cpmg_frq user function] menu entry as well.
* Correcting the R<sub>1ρ</sub> settings script for the right calculation of the spin-lock offset, omega_rf, in ppm when offset values are provided in Hz.