Hi,
That's awesome. Thank you very much for the dispersion data Flemming!
This will really help the relax project (http://nmr-relax.com) to
become the standard for NMR dynamics analyses, thanks to Seb's
relaxation dispersion contributions. See you hopefully at the ENC.
Cheers,
Edward
P.S. The ultimate plan for this open source community project is to
eventually cover all types of dynamic analyses.
On Sat, Jan 10, 2009 at 9:09 PM, <sebastien.morin.1@xxxxxxxxx> wrote:
Author: semor
Date: Sat Jan 10 21:09:49 2009
New Revision: 8362
URL: http://svn.gna.org/viewcvs/relax?rev=8362&view=rev
Log:
Added a relaxation dispersion dataset in the system-test.
This was kindly provided by Dr Flemming Hansen (flemming AT pound DOT med
DOT utoronto DOT ca) and
was previously published in: Hansen, Vallurupalli & Kay, 2008, JPhysChemB,
112: 5898-5904.
The original format was different and was modified to better suit the way
relax handles datasets.
Finally, the information contained here were written in a 'readme' file
placed in the same
directory as the dataset itself to allow referencing and acknowledgments.
Added:
branches/relax_disp/test_suite/shared_data/curve_fitting_disp/
branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1/
branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1/1000.in
branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1/133.33.in
branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1/133.33.in.bis
branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1/200.in
branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1/266.67.in
branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1/333.33.in
branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1/400.in
branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1/466.67.in
branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1/533.33.in
branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1/533.33.in.bis
branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1/600.in
branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1/66.667.in
branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1/666.67.in
branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1/733.33.in
branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1/800.in
branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1/866.67.in
branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1/933.33.in
branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1/933.33.in.bis
branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1/fake_sequence.in
branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1/readme
branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1/reference.in
Modified:
branches/relax_disp/test_suite/system_tests/scripts/relax_disp_cpmg_fast.py
[This mail would be too long, it was shortened to contain the URLs only.]
Added:
branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1/1000.in
URL:
http://svn.gna.org/viewcvs/relax/branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1/1000.in?rev=8362&view=auto
Added:
branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1/133.33.in
URL:
http://svn.gna.org/viewcvs/relax/branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1/133.33.in?rev=8362&view=auto
Added:
branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1/133.33.in.bis
URL:
http://svn.gna.org/viewcvs/relax/branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1/133.33.in.bis?rev=8362&view=auto
Added:
branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1/200.in
URL:
http://svn.gna.org/viewcvs/relax/branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1/200.in?rev=8362&view=auto
Added:
branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1/266.67.in
URL:
http://svn.gna.org/viewcvs/relax/branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1/266.67.in?rev=8362&view=auto
Added:
branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1/333.33.in
URL:
http://svn.gna.org/viewcvs/relax/branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1/333.33.in?rev=8362&view=auto
Added:
branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1/400.in
URL:
http://svn.gna.org/viewcvs/relax/branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1/400.in?rev=8362&view=auto
Added:
branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1/466.67.in
URL:
http://svn.gna.org/viewcvs/relax/branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1/466.67.in?rev=8362&view=auto
Added:
branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1/533.33.in
URL:
http://svn.gna.org/viewcvs/relax/branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1/533.33.in?rev=8362&view=auto
Added:
branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1/533.33.in.bis
URL:
http://svn.gna.org/viewcvs/relax/branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1/533.33.in.bis?rev=8362&view=auto
Added:
branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1/600.in
URL:
http://svn.gna.org/viewcvs/relax/branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1/600.in?rev=8362&view=auto
Added:
branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1/66.667.in
URL:
http://svn.gna.org/viewcvs/relax/branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1/66.667.in?rev=8362&view=auto
Added:
branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1/666.67.in
URL:
http://svn.gna.org/viewcvs/relax/branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1/666.67.in?rev=8362&view=auto
Added:
branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1/733.33.in
URL:
http://svn.gna.org/viewcvs/relax/branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1/733.33.in?rev=8362&view=auto
Added:
branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1/800.in
URL:
http://svn.gna.org/viewcvs/relax/branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1/800.in?rev=8362&view=auto
Added:
branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1/866.67.in
URL:
http://svn.gna.org/viewcvs/relax/branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1/866.67.in?rev=8362&view=auto
Added:
branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1/933.33.in
URL:
http://svn.gna.org/viewcvs/relax/branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1/933.33.in?rev=8362&view=auto
Added:
branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1/933.33.in.bis
URL:
http://svn.gna.org/viewcvs/relax/branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1/933.33.in.bis?rev=8362&view=auto
Added:
branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1/fake_sequence.in
URL:
http://svn.gna.org/viewcvs/relax/branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1/fake_sequence.in?rev=8362&view=auto
Added:
branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1/readme
URL:
http://svn.gna.org/viewcvs/relax/branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1/readme?rev=8362&view=auto
Added:
branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1/reference.in
URL:
http://svn.gna.org/viewcvs/relax/branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1/reference.in?rev=8362&view=auto
Modified:
branches/relax_disp/test_suite/system_tests/scripts/relax_disp_cpmg_fast.py
URL:
http://svn.gna.org/viewcvs/relax/branches/relax_disp/test_suite/system_tests/scripts/relax_disp_cpmg_fast.py?rev=8362&r1=8361&r2=8362&view=diff
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Re: r8362 - in /branches/relax_disp/test_suite: shared_data/curve_fitting_disp/ shared_data/curve_fitting_disp/dataset_1/ system...