Menu

Commit [r22334]  Maximize  Restore  History

Merged revisions 22317-22333 via svnmerge from

svn+ssh://bugman@.../svn/relax/trunk

........
r22317 | bugman | 2014-02-25 17:54:57 +0100 (Tue, 25 Feb 2014) | 5 lines

Completed the tutorial for using the dispersion analysis in the GUI.

This is for the relaxation dispersion chapter of the manual.
........
r22318 | bugman | 2014-02-25 18:39:33 +0100 (Tue, 25 Feb 2014) | 6 lines

Some edits for the tutorial on using the dispersion GUI analysis.

The results of the relax_disp.insignificance user function are now shown to demonstrate what this
does.
........
r22319 | bugman | 2014-02-25 18:55:25 +0100 (Tue, 25 Feb 2014) | 5 lines

Fixes for some incorrectly reported results in the dispersion GUI tutorial in the manual.

The non-clustered results had been incorrectly copied from the log messages.
........
r22320 | bugman | 2014-02-25 21:58:40 +0100 (Tue, 25 Feb 2014) | 5 lines

More incorrect value fixes for the dispersion GUI tutorial in the manual.

The pA and kex values were also somehow incorrect.
........
r22321 | tlinnet | 2014-02-26 08:36:29 +0100 (Wed, 26 Feb 2014) | 8 lines

Added system test for bug 21344.

Regarding bug #21344, (https://gna.org/bugs/index.php?21344) - Handling of in sparse acquired R1rho dataset with missing combinations of time and spin-lock field strengths.

This test will fail with:
No intensity data could be found corresponding to the spectrometer frequency of 799.7773991 MHz, dispersion point of 431.0 and relaxation time of 0.14 s.
Data for a dispersion point of 431.0 and time 0.14 does not exist, and so some of the looping in collecting data for calculation must be wrong.
This behaviour and probably its solution is related to bug 21665, "Running a CPMG analysis with two fields at two delay times" (https://gna.org/bugs/index.php?21665).
........
r22322 | tlinnet | 2014-02-26 10:11:32 +0100 (Wed, 26 Feb 2014) | 3 lines

Renamed previous disp_data unit tests, to reflect they were from a CPMG setup.

Regarding bug #21344, (https://gna.org/bugs/index.php?21344) - Handling of in sparse acquired R1rho dataset with missing combinations of time and spin-lock field strengths.
........
r22323 | tlinnet | 2014-02-26 10:11:35 +0100 (Wed, 26 Feb 2014) | 3 lines

Added unit test for count_relax_times() for and R1rho setup.

Regarding bug #21344, (https://gna.org/bugs/index.php?21344) - Handling of in sparse acquired R1rho dataset with missing combinations of time and spin-lock field strengths.
........
r22324 | bugman | 2014-02-26 11:07:26 +0100 (Wed, 26 Feb 2014) | 5 lines

Fixes for the Grace kex plot for the tutorial for dispersion GUI analysis.

The values for the Grace plot were not correct.
........
r22325 | tlinnet | 2014-02-26 11:10:18 +0100 (Wed, 26 Feb 2014) | 3 lines

Added unit test for loop_time() for r1rho setup.

Regarding bug #21344, (https://gna.org/bugs/index.php?21344) - Handling of in sparse acquired R1rho dataset with missing combinations of time and spin-lock field strengths.
........
r22326 | tlinnet | 2014-02-26 11:10:23 +0100 (Wed, 26 Feb 2014) | 5 lines

Renamed system test.

Regarding bug #21344, (https://gna.org/bugs/index.php?21344) - Handling of in sparse acquired R1rho dataset with missing combinations of time and spin-lock field strengths.

The previous test name was rubbish.
........
r22327 | bugman | 2014-02-26 12:03:22 +0100 (Wed, 26 Feb 2014) | 5 lines

Editing of the dispersion GUI analysis tutorial in the manual.

The whole section has been proofed and improved.
........
r22328 | bugman | 2014-02-26 12:04:16 +0100 (Wed, 26 Feb 2014) | 5 lines

The relaxation dispersion auto-analysis now creates the chi2.out text file.

This is for more easily comparing the chi-squared values between analyses.
........
r22329 | tlinnet | 2014-02-26 12:07:45 +0100 (Wed, 26 Feb 2014) | 3 lines

Modified Copyright notice in files to reflect svn log.
........
r22330 | bugman | 2014-02-26 13:55:50 +0100 (Wed, 26 Feb 2014) | 3 lines

A concluding statement has been added to the dispersion GUI analysis tutorial in the manual.
........
r22331 | bugman | 2014-02-26 13:57:26 +0100 (Wed, 26 Feb 2014) | 3 lines

Added spacing in front of all lstlisting environments in the relaxation dispersion chapter of the manual.
........
r22332 | bugman | 2014-02-26 14:07:57 +0100 (Wed, 26 Feb 2014) | 3 lines

Spelling fix for the spectrometer frequency checks of the spectrometer.frequency user function.
........
r22333 | bugman | 2014-02-26 14:09:32 +0100 (Wed, 26 Feb 2014) | 3 lines

Spell checking of the entire relaxation dispersion chapter of the manual.
........

bugman 2014-02-26

changed /branches/double_rotor
changed /branches/double_rotor/auto_analyses/relax_disp.py
changed /branches/double_rotor/docs/latex/dispersion.tex
changed /branches/double_rotor/graphics/screenshots/dispersion_analysis/grace_kex.eps.gz
changed /branches/double_rotor/graphics/screenshots/dispersion_analysis/grace_kex.png
changed /branches/double_rotor/gui/spin_viewer/frame.py
changed /branches/double_rotor/gui/wizards/peak_intensity.py
changed /branches/double_rotor/lib/errors.py
changed /branches/double_rotor/lib/spectrum/nmrview.py
changed /branches/double_rotor/lib/warnings.py
changed /branches/double_rotor/pipe_control/spectrometer.py
changed /branches/double_rotor/specific_analyses/relax_disp/api.py
changed /branches/double_rotor/specific_analyses/relax_disp/checks.py
changed /branches/double_rotor/specific_analyses/relax_disp/disp_data.py
changed /branches/double_rotor/status.py
changed /branches/double_rotor/test_suite/gui_tests/relax_disp.py
changed /branches/double_rotor/test_suite/shared_data/dispersion/Kjaergaard_et_al_2013/r1rho_1_ini.py
changed /branches/double_rotor/test_suite/shared_data/dispersion/Kjaergaard_et_al_2013/r1rho_3_spectra_settings.py
changed /branches/double_rotor/test_suite/shared_data/dispersion/Kjaergaard_et_al_2013/r1rho_4_run.py
changed /branches/double_rotor/test_suite/system_tests/chemical_shift.py
changed /branches/double_rotor/test_suite/system_tests/n_state_model.py
changed /branches/double_rotor/test_suite/system_tests/relax_disp.py
changed /branches/double_rotor/test_suite/system_tests/sequence.py
changed /branches/double_rotor/test_suite/unit_tests/_specific_analyses/_relax_disp/test_disp_data.py
changed /branches/double_rotor/user_functions/spectrum.py
/branches/double_rotor/auto_analyses/relax_disp.py Diff Switch to side-by-side view
Loading...
/branches/double_rotor/docs/latex/dispersion.tex Diff Switch to side-by-side view
Loading...
/branches/double_rotor/gui/spin_viewer/frame.py Diff Switch to side-by-side view
Loading...
/branches/double_rotor/gui/wizards/peak_intensity.py Diff Switch to side-by-side view
Loading...
/branches/double_rotor/lib/errors.py Diff Switch to side-by-side view
Loading...
/branches/double_rotor/lib/spectrum/nmrview.py Diff Switch to side-by-side view
Loading...
/branches/double_rotor/lib/warnings.py Diff Switch to side-by-side view
Loading...
/branches/double_rotor/pipe_control/spectrometer.py Diff Switch to side-by-side view
Loading...
/branches/double_rotor/specific_analyses/relax_disp/api.py Diff Switch to side-by-side view
Loading...
/branches/double_rotor/specific_analyses/relax_disp/checks.py Diff Switch to side-by-side view
Loading...
/branches/double_rotor/specific_analyses/relax_disp/disp_data.py Diff Switch to side-by-side view
Loading...
/branches/double_rotor/status.py Diff Switch to side-by-side view
Loading...
/branches/double_rotor/test_suite/gui_tests/relax_disp.py Diff Switch to side-by-side view
Loading...
/branches/double_rotor/test_suite/shared_data/dispersion/Kjaergaard_et_al_2013/r1rho_1_ini.py Diff Switch to side-by-side view
Loading...
/branches/double_rotor/test_suite/shared_data/dispersion/Kjaergaard_et_al_2013/r1rho_3_spectra_settings.py Diff Switch to side-by-side view
Loading...
/branches/double_rotor/test_suite/shared_data/dispersion/Kjaergaard_et_al_2013/r1rho_4_run.py Diff Switch to side-by-side view
Loading...
/branches/double_rotor/test_suite/system_tests/chemical_shift.py Diff Switch to side-by-side view
Loading...
/branches/double_rotor/test_suite/system_tests/n_state_model.py Diff Switch to side-by-side view
Loading...
/branches/double_rotor/test_suite/system_tests/relax_disp.py Diff Switch to side-by-side view
Loading...
/branches/double_rotor/test_suite/system_tests/sequence.py Diff Switch to side-by-side view
Loading...
/branches/double_rotor/test_suite/unit_tests/_specific_analyses/_relax_disp/test_disp_data.py Diff Switch to side-by-side view
Loading...
/branches/double_rotor/user_functions/spectrum.py Diff Switch to side-by-side view
Loading...
Want the latest updates on software, tech news, and AI?
Get latest updates about software, tech news, and AI from SourceForge directly in your inbox once a month.