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SVN archive Commit Log


Commit Date  
[r8394] by semor

Renamed the directories containing the sample datasets provided by Flemming Hansen.

The names are now more obvious as to their content...

This was proposed by Ed in a post at:
https://mail.gna.org/public/relax-devel/2009-01/msg00056.html
(Message-id: <7f080ed10901111037k75882ca5p6d29a4c3697659c3@...>)

2009-01-11 20:09:38 Tree
[r8393] by bugman

The spectrometer frequency in the BMRB is now a float.

2009-01-11 18:22:44 Tree
[r8392] by bugman

Started to dump the relaxation data into the BMRB file.

Much work is still required and the spin specific values are still not there.

2009-01-11 18:05:40 Tree
[r8391] by semor

Added the relaxation dispersion dataset recorded at 800 MHz 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 two formats were made ('generic' and 'sparky'), as for the
dataset recorded at 500 MHz.

2009-01-11 17:54:13 Tree
[r8390] by semor

Created a directory for the data recorded at 800 MHz and put a readme file explaining its origin.

The readme file was copied using the command:
svn cp test_suite/shared_data/curve_fitting_disp/dataset_1-a/readme test_suite/shared_data/curve_fitting_disp/dataset_1-b/readme
and was subsequently modified.

2009-01-11 17:37:42 Tree
[r8389] by semor

Added details to the readme file and changed the directory name where the sample data is located.

The directory is now named 'dataset_1-a'. This contains data recorded at 500 MHz. Data recorded at
800 MHz will be put in a directory called 'dataset_1-b'.

2009-01-11 17:28:31 Tree
[r8388] by bugman

Wrote a basic model-free bmrb_read() method.

This simply parses the STAR formatted file, but does not yet put the contents into the relax data
store.

2009-01-11 16:33:47 Tree
[r8387] by bugman

Fix for the write() function. The directory for placing the file into is now created.

2009-01-11 16:29:45 Tree
[r8386] by bugman

Fixes for the read() function.

2009-01-11 16:27:34 Tree
[r8385] by bugman

Fix for the test_rw_bmrb_model_free() system test.

The dir name was being set to the data pipe name!

2009-01-11 16:17:49 Tree
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