taskrelax - Tasks: task #7712, Addition of the numerical...

 
 
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task #7712: Addition of the numerical solutions of the Bloch-McConnell equations to the relaxation dispersion analysis.

Submitted by:  Edward d Auvergne <bugman>
Submitted on:  Tue 09 Jul 2013 09:49:01 AM UTC  
 
Should Start On: Tue 09 Jul 2013 12:00:00 AM UTCShould be Finished on: Wed 30 Oct 2013 12:00:00 AM UTC
Category: relax's source codePriority: 5 - Normal
Status: CompletedPercent Complete: 100%
Assigned to: NoneOpen/Closed: Closed
Effort: 0.00

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(Jump to the original submission Jump to the original submission)

Wed 27 Nov 2013 07:53:12 AM UTC, SVN revision 21659:

Merged revisions 19169-19272,19275-19280,19310-19319,19322-19325,19328-19332,19335-19348,19359-19373,19376-19388,19439,19454-19455,19458,19461,19463,19465-19473,19475-19482,19485-19487,19491-19493,19497,19501-19506,19511,19516-19517,19528,19530,19539,19546-19548,19559-19562,19565-19567,19570,19574-19576,19579-19580,19585-19589,19611,19619-19646,19657-19661,19663-19668,19676,19679,19685-19687,19690,19693-19694,19697-19700,19710-19719,19721-19722,19735,19738-19744,19747-19767,19770-19804,19807-19856,19859-19870,19873-19874,19883,19887-19894,19896-19910,19928-19933,19936-19939,19941,19943-19946,19949-19960,19963-20036,20040,20042-20043,20047-20048,20051,20054-20058,20061-20062,20068,20071-20078,20083,20086,20094,20098-20105,20108,20137-20138,20141,20166,20169-20175,20182-20183,20185-20186,20189-20191,20196,20204-20207,20210,20217-20219,20230,20238-20239,20244,20263-20264,20266,20268-20291,20293-20336,20338-20340,20342-20349,20354-20387,20389-20390,20392-20394,20402-20420,20423-20438,20449-20473,20475-20494,20500,20524,20537-20541,20586,20628-20633,20637,20641-20646,20652-20654,20673-20674,20677-20681,20686-20736,20750-20757,20761-20774,20779,20782,20784,20787,20795-20806,20813-20872,20875-20897,20900-20911,20914,20921,20924-20926,20929,20935-20943,20949,20952-20953,20956,20959-20971,20973-20999,21004-21011,21014,21017-21024,21028-21035,21055-21088,21091-21096,21101-21102,21113-21149,21152-21158,21170-21173,21175-21186,21189-21244,21247-21256,21259-21260,21263-21268,21271-21291,21294-21296,21299-21329,21335-21345,21354-21358,21362,21365-21390,21392-21406,21456-21473,21475-21491,21496-21577,21584-21612,21615-21620,21623-21628,21633-21646 via svnmerge from
svn+ssh://bugman@svn.gna.org/svn/relax/branches/relax_disp

........
r19169 | bugman | 2013-03-27 12:12:45 +0100 (Wed, 27 Mar 2013) | 14 lines

Ported r8246 from the old relax_disp branch into the new branch.

The command used was:
svn merge -r8245:8246 svn+ssh://bugman@svn.gna.org/svn/relax/branches/relax_disp@r18123 .

.....
r8246 | semor | 2009-01-06 22:32:20 +0100 (Tue, 06 Jan 2009) | 3 lines
Changed paths:
M /branches/relax_disp/test_suite/system_tests/__init__.py

Started to implement the framework for system tests.
.....
........
r19170 | bugman | 2013-03-27 12:14:09 +0100 (Wed, 27 Mar 2013) | 19 lines

Ported r8247 from the old relax_disp branch into the new branch.

The command used was:
svn merge -r8246:8247 svn+ssh://bugman@svn.gna.org/svn/relax/branches/relax_disp@r18123 .

.....
r8247 | semor | 2009-01-06 22:36:04 +0100 (Tue, 06 Jan 2009) | 8 lines
Changed paths:
A /branches/relax_disp/test_suite/system_tests/relax_disp.py (from /branches/relax_disp/test_suite/system_tests/relax_fit.py:8240)

Copied 'test_suite/system_tests/relax_fit.py' for relaxation dispersion.

The command used was:
svn cp test_suite/system_tests/relax_fit.py test_suite/system_tests/relax_disp.py

The code now needs to be tailored for relaxation dispersion.
.....
........
r19171 | bugman | 2013-03-27 12:14:58 +0100 (Wed, 27 Mar 2013) | 14 lines

Ported r8248 from the old relax_disp branch into the new branch.

The command used was:
svn merge -r8247:8248 svn+ssh://bugman@svn.gna.org/svn/relax/branches/relax_disp@r18123 .

.....
r8248 | semor | 2009-01-06 22:46:44 +0100 (Tue, 06 Jan 2009) | 3 lines
Changed paths:
M /branches/relax_disp/test_suite/system_tests/relax_disp.py

[...] Started to implement relaxation dispersion system tests.

[...] .....

[...]........

[...] r19172 | bugman | 2013-03-27 12:38:00 +0100 (Wed, 27 Mar 2013) | 18 lines

[...]

[...] Created the user_functions.relax_disp module by copying user_functions.relax_fit.

[...]

[...] This is equivalent to r8321 of the old relax_disp branch which copied the prompt.relax_fit module.

[...]

[...] .....

[...] r8321 | semor | 2009-01-07 21:18:14 +0100 (Wed, 07 Jan 2009) | 8 lines

[...] Changed paths:

[...] A /branches/relax_disp/prompt/relax_disp.py (from /branches/relax_disp/prompt/relax_fit.py:8319)

[...]

[...] Copied 'prompt/relax_fit.py' to 'prompt/relax_disp.py'.

[...]

[...] The command used was:

[...] svn cp prompt/relax_fit.py prompt/relax_disp.py

[...]

[...] This file now needs to be modified to suit the needs of relaxation dispersion.

[...] .....

[...]........

[...] r19173 | bugman | 2013-03-27 12:54:22 +0100 (Wed, 27 Mar 2013) | 21 lines

[...]

[...] Manually created the relax_disp user functions.

[...]

[...] This is equivalent to Seb's commit at r8322 for the prompt.relax_disp module. The equivalent

[...] changes to the user_functions.relax_disp were hand edited.

[...]

[...] .....

[...] r8322 | semor | 2009-01-07 21:53:01 +0100 (Wed, 07 Jan 2009) | 10 lines

[...] Changed paths:

[...] M /branches/relax_disp/prompt/relax_disp.py

[...]

[...] Added functions to select the experiment type and mathematical model used.

[...]

[...] These functions allow the user to select the experiment type (cpmg or r1rho) as well as the

[...] mathematical model to fit the data (fast or slow).

[...]

[...] These changes follow a discussion on relaxation dispersion, and mainly the post at:

[...] https://mail.gna.org/public/relax-devel/2009-01/msg00020.html

[...] (Message-id: <7f080ed10901070529s397f7f23p914c820ced4d07f@mail.gmail.com>)

[...] .....

[...]........

[...] r19174 | bugman | 2013-03-27 12:55:14 +0100 (Wed, 27 Mar 2013) | 19 lines

[...]

[...] Ported r8323 from the old relax_disp branch into the new branch.

[...]

[...] The command used was:

[...] svn merge -r8322:8323 svn+ssh://bugman@svn.gna.org/svn/relax/branches/relax_disp@r18123 .

[...]

[...] .....

[...] r8323 | semor | 2009-01-07 21:56:49 +0100 (Wed, 07 Jan 2009) | 8 lines

[...] Changed paths:

[...] A /branches/relax_disp/test_suite/system_tests/scripts/relax_disp.py (from /branches/relax_disp/test_suite/system_tests/scripts/relax_fit.py:8319)

[...]

[...] Copied the 'relax_fit.py' script to 'relax_disp.py'.

[...]

[...] The command used was:

[...] svn cp test_suite/system_tests/scripts/relax_fit.py test_suite/system_tests/scripts/relax_disp.py

[...]

[...] This file, obviously, will need to be modified to suit the needs of the relaxation dispersion code.

[...] .....

[...]........

[...] r19175 | bugman | 2013-03-27 12:56:08 +0100 (Wed, 27 Mar 2013) | 17 lines

[...]

[...] Ported r8324 from the old relax_disp branch into the new branch.

[...]

[...] The command used was:

[...] svn merge -r8323:8324 svn+ssh://bugman@svn.gna.org/svn/relax/branches/relax_disp@r18123 .

[...]

[...] .....

[...] r8324 | semor | 2009-01-07 22:16:16 +0100 (Wed, 07 Jan 2009) | 5 lines

[...] Changed paths:

[...] M /branches/relax_disp/test_suite/system_tests/relax_disp.py

[...] M /branches/relax_disp/test_suite/system_tests/scripts/relax_disp.py

[...]

[...] Modified the script so it will test for fast-exchange curve fitting from CPMG data.

[...]

[...] Data and functions to treat it arestill missing.

[...] .....

[...]........

[...] r19176 | bugman | 2013-03-27 12:57:14 +0100 (Wed, 27 Mar 2013) | 16 lines

[...]

[...] Ported r8325 from the old relax_disp branch into the new branch.

[...]

[...] The command used was:

[...] svn merge -r8324:8325 svn+ssh://bugman@svn.gna.org/svn/relax/branches/relax_disp@r18123 .

[...]

[...] .....

[...] r8325 | semor | 2009-01-07 22:23:22 +0100 (Wed, 07 Jan 2009) | 3 lines

[...] Changed paths:

[...] M /branches/relax_disp/test_suite/system_tests/relax_disp.py

[...] D /branches/relax_disp/test_suite/system_tests/scripts/relax_disp.py

[...] A /branches/relax_disp/test_suite/system_tests/scripts/relax_disp_cpmg_fast.py (from /branches/relax_disp/test_suite/system_tests/scripts/relax_disp.py:8324)

[...]

[...] Added a test for CPMG data in slow-exchange and changed the name of the test for fast-exchange.

[...] .....

[...]........

[...] r19177 | bugman | 2013-03-27 12:59:17 +0100 (Wed, 27 Mar 2013) | 19 lines

[...]

[...] Ported r8326 from the old relax_disp branch into the new branch.

[...]

[...] The command used was:

[...] svn merge -r8325:8326 svn+ssh://bugman@svn.gna.org/svn/relax/branches/relax_disp/specific_fns/@r18123 specific_analyses

[...]

[...] .....

[...] r8326 | semor | 2009-01-07 22:33:41 +0100 (Wed, 07 Jan 2009) | 8 lines

[...] Changed paths:

[...] A /branches/relax_disp/specific_fns/relax_disp.py (from /branches/relax_disp/specific_fns/relax_fit.py:8319)

[...]

[...] Copied the 'relax_fit.py' specific functions to 'relax_disp.py'.

[...]

[...] The command used was:

[...] svn cp specific_fns/relax_fit.py specific_fns/relax_disp.py

[...]

[...] The code will now need many many many changes to suit the needs of relaxation disperison.

[...] .....

[...]........

[...] r19178 | bugman | 2013-03-27 13:01:18 +0100 (Wed, 27 Mar 2013) | 16 lines

[...]

[...] Ported r8327 from the old relax_disp branch into the new branch.

[...]

[...] The command used was:

[...] svn merge -r8326:8327 svn+ssh://bugman@svn.gna.org/svn/relax/branches/relax_disp/specific_fns/@r18123 specific_analyses

[...]

[...] .....

[...] r8327 | semor | 2009-01-07 22:53:12 +0100 (Wed, 07 Jan 2009) | 5 lines

[...] Changed paths:

[...] M /branches/relax_disp/specific_fns/relax_disp.py

[...]

[...] Made a few changes towards a functional relaxation dispersion code.

[...]

[...] This includes several modifications as well as the addition of the exp_type() function.

[...] .....

[...]........

[...] r19179 | bugman | 2013-03-27 13:02:20 +0100 (Wed, 27 Mar 2013) | 16 lines

[...]

[...] Ported r8328 from the old relax_disp branch into the new branch.

[...]

[...] The command used was:

[...] svn merge -r8327:8328 svn+ssh://bugman@svn.gna.org/svn/relax/branches/relax_disp/specific_fns/@r18123 specific_analyses

[...]

[...] .....

[...] r8328 | semor | 2009-01-08 00:16:20 +0100 (Thu, 08 Jan 2009) | 5 lines

[...] Changed paths:

[...] M /branches/relax_disp/specific_fns/relax_disp.py

[...]

[...] Moved the relax_time() function to cpmg_frq() and made other small changes.

[...]

[...] Still much (!) work is needed for this code to be complete.

[...] .....

[...]........

[...] r19180 | bugman | 2013-03-27 13:03:12 +0100 (Wed, 27 Mar 2013) | 16 lines

[...]

[...] Ported r8329 from the old relax_disp branch into the new branch.

[...]

[...] The command used was:

[...] svn merge -r8328:8329 svn+ssh://bugman@svn.gna.org/svn/relax/branches/relax_disp/specific_fns/@r18123 specific_analyses

[...]

[...] .....

[...] r8329 | semor | 2009-01-08 00:23:28 +0100 (Thu, 08 Jan 2009) | 5 lines

[...] Changed paths:

[...] M /branches/relax_disp/specific_fns/relax_disp.py

[...]

[...] Renamed 'cdp.frq' to 'cdp.cpmg_frqs' so it is not confusing with the spectrometer frequency.

[...]

[...] Indeed, 'cdp.cpmg_frqs' points to the CPMG pulse train frequency (nu_cpmg).

[...] .....

[...]........

[...] r19181 | bugman | 2013-03-27 13:03:48 +0100 (Wed, 27 Mar 2013) | 14 lines

[...]

[...] Ported r8330 from the old relax_disp branch into the new branch.

[...]

[...] The command used was:

[...] svn merge -r8329:8330 svn+ssh://bugman@svn.gna.org/svn/relax/branches/relax_disp/specific_fns/@r18123 specific_analyses

[...]

[...] .....

[...] r8330 | semor | 2009-01-08 00:38:30 +0100 (Thu, 08 Jan 2009) | 3 lines

[...] Changed paths:

[...] M /branches/relax_disp/specific_fns/relax_disp.py

[...]

[...] Changed all instances of 'relax_times' to 'cpmg_frqs' and made other small changes.

[...] .....

[...]........

[...] r19182 | bugman | 2013-03-27 13:04:25 +0100 (Wed, 27 Mar 2013) | 14 lines

[...]

[...] Ported r8331 from the old relax_disp branch into the new branch.

[...]

[...] The command used was:

[...] svn merge -r8330:8331 svn+ssh://bugman@svn.gna.org/svn/relax/branches/relax_disp/specific_fns/@r18123 specific_analyses

[...]

[...] .....

[...] r8331 | semor | 2009-01-08 00:48:34 +0100 (Thu, 08 Jan 2009) | 3 lines

[...] Changed paths:

[...] M /branches/relax_disp/specific_fns/relax_disp.py

[...]

[...] Changed 'relax_time' instances to 'cpmg_frq'.

[...] .....

[...]........

[...] r19183 | bugman | 2013-03-27 13:05:12 +0100 (Wed, 27 Mar 2013) | 20 lines

[...]

[...] Ported r8335 from the old relax_disp branch into the new branch.

[...]

[...] The command used was:

[...] svn merge -r8334:8335 svn+ssh://bugman@svn.gna.org/svn/relax/branches/relax_disp/specific_fns/@r18123 specific_analyses

[...]

[...] .....

[...] r8335 | semor | 2009-01-08 16:19:09 +0100 (Thu, 08 Jan 2009) | 9 lines

[...] Changed paths:

[...] M /branches/relax_disp/specific_fns/relax_disp.py

[...]

[...] Changed the index name and description.

[...]

[...] This is as proposed by Ed in a post at:

[...] https://mail.gna.org/public/relax-devel/2009-01/msg00029.html

[...] (Message-id: <7f080ed10901080144u541e6ed5ve52d2d233f8d7cf7@mail.gmail.com>)

[...]

[...] The description might change later to be more appropriate when the code is more mature...

[...] .....

[...]........

[...] r19184 | bugman | 2013-03-27 13:06:34 +0100 (Wed, 27 Mar 2013) | 17 lines

[...]

[...] Ported r8337 from the old relax_disp branch into the new branch.

[...]

[...] The command used was:

[...] svn merge -r8336:8337 svn+ssh://bugman@svn.gna.org/svn/relax/branches/relax_disp@r18123 .

[...]

[...] .....

[...] r8337 | semor | 2009-01-08 16:51:44 +0100 (Thu, 08 Jan 2009) | 6 lines

[...] Changed paths:

[...] M /branches/relax_disp/test_suite/system_tests/scripts/relax_disp_cpmg_fast.py

[...]

[...] Included the setting of the spectrometer frequency and uncommented a few lines of code.

[...]

[...] Of course, this won't work until the sample data has been introduced and the right namesfor the

[...] different files be input in the system test script...

[...] .....

[...]........

[...] r19185 | bugman | 2013-03-27 13:41:12 +0100 (Wed, 27 Mar 2013) | 26 lines

[...]

[...] Ported r8338 from the old relax_disp branch into the new branch (partly manually).

[...]

[...] The changes not made by hand come from the command:

[...] svn merge -r8337:8338 svn+ssh://bugman@svn.gna.org/svn/relax/branches/relax_disp/specific_fns/@r18123 specific_analyses

[...]

[...] All changes not in the specific_analyses package were hand edited.

[...]

[...] .....

[...] r8338 | semor | 2009-01-08 17:17:32 +0100 (Thu, 08 Jan 2009) | 7 lines

[...] Changed paths:

[...] M /branches/relax_disp/generic_fns/pipes.py

[...] M /branches/relax_disp/prompt/__init__.py

[...] M /branches/relax_disp/prompt/interpreter.py

[...] M /branches/relax_disp/prompt/pipe.py

[...] M /branches/relax_disp/specific_fns/__init__.py

[...] M /branches/relax_disp/specific_fns/relax_disp.py

[...] M /branches/relax_disp/specific_fns/setup.py

[...]

[...] Fixed many formatting errors and made the 'relax_disp' code accessible (pipes, interpreter, etc).

[...]

[...] These changes also include a coming back to using the C code 'math_fns/relax_fit.py' since there is

[...] still no such code associated to relaxation dispersion. This will allow workingin the code without

[...] relax crashing and complaining about the lack of a C module name 'relax_disp.py'.

[...] .....

[...]........

[...] r19186 | bugman | 2013-03-27 13:47:48 +0100 (Wed, 27 Mar 2013) | 24 lines

[...]

[...] Ported r8339 from the old relax_disp branch into the new branch.

[...]

[...] The commands used were:

[...] svn merge -r8338:8339 svn+ssh://bugman@svn.gna.org/svn/relax/branches/relax_disp@r18123 .

[...] svn merge -r8338:8339 svn+ssh://bugman@svn.gna.org/svn/relax/branches/relax_disp/specific_fns/@r18123 specific_analyses

[...]

[...] The code for the user_functions package was manually ported over.

[...]

[...] .....

[...] r8339 | semor | 2009-01-08 17:48:13 +0100 (Thu, 08 Jan 2009) | 8 lines

[...] Changed paths:

[...] M /branches/relax_disp/prompt/relax_disp.py

[...] M /branches/relax_disp/specific_fns/relax_disp.py

[...] M /branches/relax_disp/test_suite/system_tests/scripts/relax_disp_cpmg_fast.py

[...]

[...] Added the user function cpmg_delayT() which allows setting the CPMG constant time delay T used for

[...] the analysed dataset.

[...]

[...] This follows a post at:

[...] https://mail.gna.org/public/relax-devel/2009-01/msg00027.html

[...] (Message-id: <496583C7.6050607@ulaval.ca>)

[...] .....

[...]........

[...] r19187 | bugman | 2013-03-27 13:49:27 +0100 (Wed, 27 Mar 2013) | 15 lines

[...]

[...] Ported r8340 from the old relax_disp branch into the new branch.

[...]

[...] The command used was:

[...] svn merge -r8339:8340 svn+ssh://bugman@svn.gna.org/svn/relax/branches/relax_disp@r18123 .

[...]

[...] .....

[...] r8340 | semor | 2009-01-08 18:07:15 +0100 (Thu, 08 Jan 2009) | 3 lines

[...] Changed paths:

[...] M /branches/relax_disp/prompt/relax_disp.py

[...] M /branches/relax_disp/test_suite/system_tests/scripts/relax_disp_cpmg_fast.py

[...]

[...] Fixed a few typos.

[...] .....

[...]........

[...] r19188 | bugman | 2013-03-27 13:51:22 +0100 (Wed, 27 Mar 2013) | 14 lines

[...]

[...] Ported r8342 from the old relax_disp branch into the new branch.

[...]

[...] The command used was:

[...] svn merge -r8341:8342 svn+ssh://bugman@svn.gna.org/svn/relax/branches/relax_disp/specific_fns/@r18123 specific_analyses

[...]

[...] .....

[...] r8342 | semor | 2009-01-08 19:44:36 +0100 (Thu, 08 Jan 2009) | 3 lines

[...] Changed paths:

[...] M /branches/relax_disp/specific_fns/relax_disp.py

[...]

[...] Made a few changes so the cpmg_delayT() function now works.

[...] .....

[...]........

[...] r19189 | bugman | 2013-03-27 13:58:48 +0100 (Wed, 27 Mar 2013) | 18 lines

[...]

[...] Ported r8343 from the old relax_disp branch into the new branch.

[...]

[...] The command used was:

[...] svn merge -r8342:8343 svn+ssh://bugman@svn.gna.org/svn/relax/branches/relax_disp/specific_fns/@r18123 specific_analyses

[...]

[...] The user function code was ported manually from the prompt package changes to the user_functions

[...] package.

[...]

[...] .....

[...] r8343 | semor | 2009-01-08 20:13:00 +0100 (Thu, 08 Jan 2009) | 3 lines

[...] Changed paths:

[...] M /branches/relax_disp/prompt/relax_disp.py

[...] M /branches/relax_disp/specific_fns/relax_disp.py

[...]

[...] Added the user function cpmg_frq() and added examples to the user function cpmg_delayT().

[...] .....

[...]........

[...] r19190 | bugman | 2013-03-27 14:03:10 +0100 (Wed, 27 Mar 2013) | 20 lines

[...]

[...] Ported r from the old relax_disp branch into the new branch.

[...]

[...] The commands used were:

[...] svn merge -r8344:8345 svn+ssh://bugman@svn.gna.org/svn/relax/branches/relax_disp/specific_fns/@r18123 specific_analyses

[...] svn merge -r8344:8345 svn+ssh://bugman@svn.gna.org/svn/relax/branches/relax_disp/test_suite/@r18123 test_suite

[...]

[...] The prompt package changes were manually ported to the user_functions package.

[...]

[...] .....

[...] r8345 | semor | 2009-01-08 20:30:41 +0100 (Thu, 08 Jan 2009) | 4 lines

[...] Changed paths:

[...] M /branches/relax_disp/prompt/relax_disp.py

[...] M /branches/relax_disp/specific_fns/relax_disp.py

[...] M /branches/relax_disp/test_suite/system_tests/scripts/relax_disp_cpmg_fast.py

[...]

[...] Corrected remaining frq instances to cpmg_frq when appropriate to avoid confusion and corrected a

[...] few related things in the system test script.

[...] .....

[...]........

[...] r19191 | bugman | 2013-03-27 14:06:08 +0100 (Wed, 27 Mar 2013) | 11 lines

[...]

[...] Manually ported the prompt package changes of r8347 to the user_functions package.

[...]

[...] .....

[...] r8347 | semor | 2009-01-08 21:18:09 +0100 (Thu, 08 Jan 2009) | 3 lines

[...] Changed paths:

[...] M /branches/relax_disp/prompt/relax_disp.py

[...]

[...] Made the cpmg_frq() function accept only None for the reference spectrum and corrected a typo.

[...] .....

[...]........

[...] r19192 | bugman | 2013-03-27 14:07:46 +0100 (Wed, 27 Mar 2013) | 14 lines

[...]

[...] Ported r8351 from the old relax_disp branch into the new branch.

[...]

[...] The command used was:

[...] svn merge -r8350:8351 svn+ssh://bugman@svn.gna.org/svn/relax/branches/relax_disp/specific_fns/@r18123 specific_analyses

[...]

[...] .....

[...] r8351 | semor | 2009-01-09 21:09:00 +0100 (Fri, 09 Jan 2009) | 3 lines

[...] Changed paths:

[...] M /branches/relax_disp/specific_fns/relax_disp.py

[...]

[...] Added the parameters for the slow- and fast-exchange regime.

[...] .....

[...]........

[...] r19193 | bugman | 2013-03-27 14:08:20 +0100 (Wed, 27 Mar 2013) | 14 lines

[...]

[...] Ported r8352 from the old relax_disp branch into the new branch.

[...]

[...] The command used was:

[...] svn merge -r8351:8352 svn+ssh://bugman@svn.gna.org/svn/relax/branches/relax_disp/specific_fns/@r18123 specific_analyses

[...]

[...] .....

[...] r8352 | semor | 2009-01-09 21:27:59 +0100 (Fri, 09 Jan 2009) | 3 lines

[...] Changed paths:

[...] M /branches/relax_disp/specific_fns/relax_disp.py

[...]

[...] Added the parameters for the slow- and fast-exchange regime in the function data_names().

[...] .....

[...]........

[...] r19194 | bugman | 2013-03-27 14:08:59 +0100 (Wed, 27 Mar 2013) | 14 lines

[...]

[...] Ported r8353 from the old relax_disp branch into the new branch.

[...]

[...] The command used was:

[...] svn merge -r8352:8353 svn+ssh://bugman@svn.gna.org/svn/relax/branches/relax_disp/specific_fns/@r18123 specific_analyses

[...]

[...] .....

[...] r8353 | semor | 2009-01-09 21:36:55 +0100 (Fri, 09 Jan 2009) | 3 lines

[...] Changed paths:

[...] M /branches/relax_disp/specific_fns/relax_disp.py

[...]

[...] Corrected a few formatting issues and still added parameters for the slow- and fast-exchange regime.

[...] .....

[...]........

[...] r19195 | bugman | 2013-03-27 14:09:39 +0100 (Wed, 27 Mar 2013) | 18 lines

[...]

[...] Ported r8354 from the old relax_disp branch into the new branch.

[...]

[...] The command used was:

[...] svn merge -r8353:8354 svn+ssh://bugman@svn.gna.org/svn/relax/branches/relax_disp/specific_fns/@r18123 specific_analyses

[...]

[...] .....

[...] r8354 | semor | 2009-01-09 23:13:27 +0100 (Fri, 09 Jan 2009) | 7 lines

[...] Changed paths:

[...] M /branches/relax_disp/specific_fns/relax_disp.py

[...]

[...] Corrected a few formatting issues and still added parameters for the slow- and fast-exchange regime.

[...]

[...] Formatting issues corrected were spotted by Ed in a post at:

[...] https://mail.gna.org/public/relax-devel/2009-01/msg00045.html

[...] (Message-id: <7f080ed10901091243k76e08449ld2d1a4d273b97f71@mail.gmail.com>)

[...] .....

[...]........

[...] r19196 | bugman | 2013-03-27 14:10:15 +0100 (Wed, 27 Mar 2013) | 14 lines

[...]

[...] Ported r8355 from the old relax_disp branch into the new branch.

[...]

[...] The command used was:

[...] svn merge -r8354:8355 svn+ssh://bugman@svn.gna.org/svn/relax/branches/relax_disp/specific_fns/@r18123 specific_analyses

[...]

[...] .....

[...] r8355 | semor | 2009-01-10 02:16:00 +0100 (Sat, 10 Jan 2009) | 3 lines

[...] Changed paths:

[...] M /branches/relax_disp/specific_fns/relax_disp.py

[...]

[...] A bit more changes to introduce parameters for CPMG relaxation dispersion.

[...] .....

[...]........

[...] r19197 | bugman | 2013-03-27 14:11:14 +0100 (Wed, 27 Mar 2013) | 14 lines

[...]

[...] Ported r8357 from the old relax_disp branch into the new branch.

[...]

[...] The command used was:

[...] svn merge -r8356:8357 svn+ssh://bugman@svn.gna.org/svn/relax/branches/relax_disp/specific_fns/@r18123 specific_analyses

[...]

[...] .....

[...] r8357 | semor | 2009-01-10 02:45:29 +0100 (Sat, 10 Jan 2009) | 3 lines

[...] Changed paths:

[...] M /branches/relax_disp/specific_fns/relax_disp.py

[...]

[...] Introduced CPMG parameters into the function return_grace_string() and corrected formatting issues.

[...] .....

[...]........

[...] r19198 | bugman | 2013-03-27 14:11:50 +0100 (Wed, 27 Mar 2013) | 14 lines

[...]

[...] Ported r8358 from the old relax_disp branch into the new branch.

[...]

[...] The command used was:

[...] svn merge -r8357:8358 svn+ssh://bugman@svn.gna.org/svn/relax/branches/relax_disp/specific_fns/@r18123 specific_analyses

[...]

[...] .....

[...] r8358 | semor | 2009-01-10 16:51:19 +0100 (Sat, 10 Jan 2009) | 3 lines

[...] Changed paths:

[...] M /branches/relax_disp/specific_fns/relax_disp.py

[...]

[...] Introduced relaxation dispersion parameters in the function return_data_name().

[...] .....

[...]........

[...] r19199 | bugman | 2013-03-27 14:12:27 +0100 (Wed, 27 Mar 2013) | 14 lines

[...]

[...] Ported r8359 from the old relax_disp branch into the new branch.

[...]

[...] The command used was:

[...] svn merge -r8358:8359 svn+ssh://bugman@svn.gna.org/svn/relax/branches/relax_disp/specific_fns/@r18123 specific_analyses

[...]

[...] .....

[...] r8359 | semor | 2009-01-10 17:32:59 +0100 (Sat, 10 Jan 2009) | 3 lines

[...] Changed paths:

[...] M /branches/relax_disp/specific_fns/relax_disp.py

[...]

[...] Corrected some print outs...

[...] .....

[...]........

[...] r19200 | bugman | 2013-03-27 14:13:02 +0100 (Wed, 27 Mar 2013) | 14 lines

[...]

[...] Ported r8360 from the old relax_disp branch into the new branch.

[...]

[...] The command used was:

[...] svn merge -r8359:8360 svn+ssh://bugman@svn.gna.org/svn/relax/branches/relax_disp/specific_fns/@r18123 specific_analyses

[...]

[...] .....

[...] r8360 | semor | 2009-01-10 17:48:17 +0100 (Sat, 10 Jan 2009) | 3 lines

[...] Changed paths:

[...] M /branches/relax_disp/specific_fns/relax_disp.py

[...]

[...] Corrected a few dosctrings.

[...] .....

[...]........

[...] r19201 | bugman | 2013-03-27 14:15:01 +0100 (Wed, 27 Mar 2013) | 14 lines

[...]

[...] Ported r8361 from the old relax_disp branch into the new branch.

[...]

[...] The command used was:

[...] svn merge -r8360:8361 svn+ssh://bugman@svn.gna.org/svn/relax/branches/relax_disp/specific_fns/@r18123 specific_analyses

[...]

[...] .....

[...] r8361 | semor | 2009-01-10 17:56:56 +0100 (Sat, 10 Jan 2009) | 3 lines

[...] Changed paths:

[...] M /branches/relax_disp/specific_fns/relax_disp.py

[...]

[...] Changed the default cpmg_frq value in cpmg_frq() from 0 to None.

[...] .....

[...]........

[...] r19202 | bugman | 2013-03-27 14:16:22 +0100 (Wed, 27 Mar 2013) | 45 lines

[...]

[...] Ported r8362 from the old relax_disp branch into the new branch.

[...]

[...] The command used was:

[...] svn merge -r8361:8362 svn+ssh://bugman@svn.gna.org/svn/relax/branches/relax_disp@r18123 .

[...]

[...] .....

[...] r8362 | semor | 2009-01-10 21:09:49 +0100 (Sat, 10 Jan 2009) | 11 lines

[...] Changed paths:

[...] A /branches/relax_disp/test_suite/shared_data/curve_fitting_disp

[...] A /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1

[...] A /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1/1000.in

[...] A /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1/133.33.in

[...] A /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1/133.33.in.bis

[...] A /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1/200.in

[...] A /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1/266.67.in

[...] A /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1/333.33.in

[...] A /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1/400.in

[...] A /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1/466.67.in

[...] A /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1/533.33.in

[...] A /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1/533.33.in.bis

[...] A /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1/600.in

[...] A /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1/66.667.in

[...] A /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1/666.67.in

[...] A /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1/733.33.in

[...] A /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1/800.in

[...] A /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1/866.67.in

[...] A /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1/933.33.in

[...] A /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1/933.33.in.bis

[...] A /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1/fake_sequence.in

[...] A /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1/readme

[...] A /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1/reference.in

[...] M /branches/relax_disp/test_suite/system_tests/scripts/relax_disp_cpmg_fast.py

[...]

[...] 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.

[...] .....

[...]........

[...] r19203 | bugman | 2013-03-27 14:17:17 +0100 (Wed, 27 Mar 2013) | 35 lines

[...]

[...] Ported r8363 from the old relax_disp branch into the new branch.

[...]

[...] The command used was:

[...] svn merge -r8362:8363 svn+ssh://bugman@svn.gna.org/svn/relax/branches/relax_disp@r18123 .

[...]

[...] .....

[...] r8363 | semor | 2009-01-10 21:50:01 +0100 (Sat, 10 Jan 2009) | 4 lines

[...] Changed paths:

[...] A /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1/1000.in_sparky

[...] A /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1/133.33.in.bis_sparky

[...] A /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1/133.33.in_sparky

[...] A /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1/200.in_sparky

[...] A /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1/266.67.in_sparky

[...] A /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1/333.33.in_sparky

[...] A /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1/400.in_sparky

[...] A /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1/466.67.in_sparky

[...] A /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1/533.33.in.bis_sparky

[...] A /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1/533.33.in_sparky

[...] A /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1/600.in_sparky

[...] A /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1/66.667.in_sparky

[...] A /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1/666.67.in_sparky

[...] A /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1/733.33.in_sparky

[...] A /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1/800.in_sparky

[...] A /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1/866.67.in_sparky

[...] A /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1/933.33.in.bis_sparky

[...] A /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1/933.33.in_sparky

[...] M /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1/readme

[...] A /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1/reference.in_sparky

[...] M /branches/relax_disp/test_suite/system_tests/scripts/relax_disp_cpmg_fast.py

[...]

[...] Added 'Sparky' formatted files to the system-test so the files can be input and development of the

[...] branch continued.

[...] .....

[...]........

[...] r19204 | bugman | 2013-03-27 14:19:40 +0100 (Wed, 27 Mar 2013) | 16 lines

[...]

[...] Ported r8364 from the old relax_disp branch into the new branch.

[...]

[...] The commands used were:

[...] svn merge -r8363:8364 svn+ssh://bugman@svn.gna.org/svn/relax/branches/relax_disp/specific_fns/@r18123 specific_analyses

[...] svn merge -r8363:8364 svn+ssh://bugman@svn.gna.org/svn/relax/branches/relax_disp/test_suite/@r18123 test_suite

[...]

[...] .....

[...] r8364 | semor | 2009-01-10 21:57:57 +0100 (Sat, 10 Jan 2009) | 3 lines

[...] Changed paths:

[...] M /branches/relax_disp/specific_fns/relax_disp.py

[...] M /branches/relax_disp/test_suite/system_tests/scripts/relax_disp_cpmg_fast.py

[...]

[...] Changed the format of the CPMG frequency and corrected the names of some input files.

[...] .....

[...]........

[...] r19205 | bugman | 2013-03-27 14:20:28 +0100 (Wed, 27 Mar 2013) | 14 lines

[...]

[...] Ported r8365 from the old relax_disp branch into the new branch.

[...]

[...] The command used was:

[...] svn merge -r8364:8365 svn+ssh://bugman@svn.gna.org/svn/relax/branches/relax_disp@r18123 .

[...]

[...] .....

[...] r8365 | semor | 2009-01-10 22:04:27 +0100 (Sat, 10 Jan 2009) | 3 lines

[...] Changed paths:

[...] A /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1/unresolved

[...]

[...] Added an unresolved file to meet the script requirements.

[...] .....

[...]........

[...] r19206 | bugman | 2013-03-27 14:21:09 +0100 (Wed, 27 Mar 2013) | 14 lines

[...]

[...] Ported r8366 from the old relax_disp branch into the new branch.

[...]

[...] The command used was:

[...] svn merge -r8365:8366 svn+ssh://bugman@svn.gna.org/svn/relax/branches/relax_disp@r18123 .

[...]

[...] .....

[...] r8366 | semor | 2009-01-11 00:08:47 +0100 (Sun, 11 Jan 2009) | 3 lines

[...] Changed paths:

[...] A /branches/relax_disp/test_suite/system_tests/scripts/relax_disp_cpmg_slow.py (from /branches/relax_disp/test_suite/system_tests/scripts/relax_disp_cpmg_fast.py:8364)

[...]

[...] Copied the script for the fast-exchange regime to the slow-exchange regime.

[...] .....

[...]........

[...] r19207 | bugman | 2013-03-27 14:22:17 +0100 (Wed, 27 Mar 2013) | 17 lines

[...]

[...] Ported r8367 from the old relax_disp branch into the new branch.

[...]

[...] The command used was:

[...] svn merge -r8366:8367 svn+ssh://bugman@svn.gna.org/svn/relax/branches/relax_disp@r18123 .

[...]

[...] .....

[...] r8367 | semor | 2009-01-11 00:10:31 +0100 (Sun, 11 Jan 2009) | 6 lines

[...] Changed paths:

[...] M /branches/relax_disp/test_suite/system_tests/scripts/relax_disp_cpmg_slow.py

[...]

[...] Modified the newly copied script so it is effectively for the slow-exchange regime.

[...]

[...] Note that this script was originally copied using the command:

[...] svn cp test_suite/system_tests/scripts/relax_disp_cpmg_fast.py test_suite/system_tests/scripts/relax_disp_cpmg_slow.py

[...] .....

[...]........

[...] r19208 | bugman | 2013-03-27 14:24:05 +0100 (Wed, 27 Mar 2013) | 62 lines

[...]

[...] Ported r8389 from the old relax_disp branch into the new branch.

[...]

[...] The command used was:

[...] svn merge -r8388:8389 svn+ssh://bugman@svn.gna.org/svn/relax/branches/relax_disp@r18123 .

[...]

[...] .....

[...] r8389 | semor | 2009-01-11 18:28:31 +0100 (Sun, 11 Jan 2009) | 6 lines

[...] Changed paths:

[...] D /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1

[...] A /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1-a (from /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1:8362)

[...] A /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1-a/1000.in_sparky (from /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1/1

[...] 000.in_sparky:8363)

[...] A /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1-a/133.33.in.bis_sparky (from /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/datas

[...] et_1/133.33.in.bis_sparky:8363)

[...] A /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1-a/133.33.in_sparky (from /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1

[...] /133.33.in_sparky:8363)

[...] A /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1-a/200.in_sparky (from /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1/20

[...] 0.in_sparky:8363)

[...] A /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1-a/266.67.in_sparky (from /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1

[...] /266.67.in_sparky:8363)

[...] A /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1-a/333.33.in_sparky (from /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1

[...] /333.33.in_sparky:8363)

[...] A /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1-a/400.in_sparky (from /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1/40

[...] 0.in_sparky:8363)

[...] A /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1-a/466.67.in_sparky (from /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1

[...] /466.67.in_sparky:8363)

[...] A /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1-a/533.33.in.bis_sparky (from /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/datas

[...] et_1/533.33.in.bis_sparky:8363)

[...] A /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1-a/533.33.in_sparky (from /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1

[...] /533.33.in_sparky:8363)

[...] A /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1-a/600.in_sparky (from /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1/60

[...] 0.in_sparky:8363)

[...] A /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1-a/66.667.in_sparky (from /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1

[...] /66.667.in_sparky:8363)

[...] A /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1-a/666.67.in_sparky (from /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1

[...] /666.67.in_sparky:8363)

[...] A /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1-a/733.33.in_sparky (from /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1

[...] /733.33.in_sparky:8363)

[...] A /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1-a/800.in_sparky (from /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1/80

[...] 0.in_sparky:8363)

[...] A /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1-a/866.67.in_sparky (from /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1

[...] /866.67.in_sparky:8363)

[...] A /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1-a/933.33.in.bis_sparky (from /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/datas

[...] et_1/933.33.in.bis_sparky:8363)

[...] A /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1-a/933.33.in_sparky (from /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1

[...] /933.33.in_sparky:8363)

[...] R /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1-a/readme (from /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1/readme:83

[...] 63)

[...] A /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1-a/reference.in_sparky (from /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/datase

[...] t_1/reference.in_sparky:8363)

[...] A /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1-a/unresolved (from /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1/unres

[...] olved:8365)

[...] M /branches/relax_disp/test_suite/system_tests/scripts/relax_disp_cpmg_fast.py

[...] M /branches/relax_disp/test_suite/system_tests/scripts/relax_disp_cpmg_slow.py

[...]

[...] 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'.

[...] .....

[...]........

[...] r19209 | bugman | 2013-03-27 14:24:55 +0100 (Wed, 27 Mar 2013) | 20 lines

[...]

[...] Ported r8390 from the old relax_disp branch into the new branch.

[...]

[...] The command used was:

[...] svn merge -r8389:8390 svn+ssh://bugman@svn.gna.org/svn/relax/branches/relax_disp@r18123 .

[...]

[...] .....

[...] r8390 | semor | 2009-01-11 18:37:42 +0100 (Sun, 11 Jan 2009) | 7 lines

[...] Changed paths:

[...] A /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1-b

[...] A /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1-b/readme (from /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1-a/readme:

[...] 8389)

[...]

[...] 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.

[...] .....

[...]........

[...] r19210 | bugman | 2013-03-27 14:25:51 +0100 (Wed, 27 Mar 2013) | 57 lines

[...]

[...] Ported r8391 from the old relax_disp branch into the new branch.

[...]

[...] The command used was:

[...] svn merge -r8390:8391 svn+ssh://bugman@svn.gna.org/svn/relax/branches/relax_disp@r18123 .

[...]

[...] .....

[...] r8391 | semor | 2009-01-11 18:54:13 +0100 (Sun, 11 Jan 2009) | 9 lines

[...] Changed paths:

[...] A /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1-b/1000.in

[...] A /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1-b/1000.in_sparky

[...] A /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1-b/133.33.in

[...] A /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1-b/133.33.in.bis

[...] A /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1-b/133.33.in.bis_sparky

[...] A /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1-b/133.33.in_sparky

[...] A /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1-b/200.in

[...] A /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1-b/200.in_sparky

[...] A /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1-b/266.67.in

[...] A /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1-b/266.67.in_sparky

[...] A /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1-b/333.33.in

[...] A /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1-b/333.33.in_sparky

[...] A /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1-b/400.in

[...] A /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1-b/400.in_sparky

[...] A /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1-b/466.67.in

[...] A /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1-b/466.67.in_sparky

[...] A /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1-b/533.33.in

[...] A /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1-b/533.33.in.bis

[...] A /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1-b/533.33.in.bis_sparky

[...] A /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1-b/533.33.in_sparky

[...] A /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1-b/600.in

[...] A /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1-b/600.in_sparky

[...] A /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1-b/66.667.in

[...] A /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1-b/66.667.in_sparky

[...] A /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1-b/666.67.in

[...] A /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1-b/666.67.in_sparky

[...] A /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1-b/733.33.in

[...] A /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1-b/733.33.in_sparky

[...] A /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1-b/800.in

[...] A /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1-b/800.in_sparky

[...] A /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1-b/866.67.in

[...] A /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1-b/866.67.in_sparky

[...] A /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1-b/933.33.in

[...] A /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1-b/933.33.in.bis

[...] A /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1-b/933.33.in.bis_sparky

[...] A /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1-b/933.33.in_sparky

[...] A /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1-b/reference.in

[...] A /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1-b/reference.in_sparky

[...]

[...] 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.

[...] .....

[...]........

[...] r19211 | bugman | 2013-03-27 14:27:31 +0100 (Wed, 27 Mar 2013) | 86 lines

[...]

[...] Ported r8394 from the old relax_disp branch into the new branch.

[...]

[...] The command used was:

[...] svn merge -r8393:8394 svn+ssh://bugman@svn.gna.org/svn/relax/branches/relax_disp@r18123 .

[...]

[...] .....

[...] r8394 | semor | 2009-01-11 21:09:38 +0100 (Sun, 11 Jan 2009) | 9 lines

[...] Changed paths:

[...] A /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/Hansen

[...] A /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/Hansen/500_MHz (from /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1-a:8389)

[...] A /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/Hansen/800_MHz (from /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1-b:8390)

[...] A /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/Hansen/800_MHz/1000.in (from /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1-b/100

[...] 0.in:8391)

[...] A /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/Hansen/800_MHz/1000.in_sparky (from /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_

[...] 1-b/1000.in_sparky:8391)

[...] A /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/Hansen/800_MHz/133.33.in (from /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1-b/1

[...] 33.33.in:8391)

[...] A /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/Hansen/800_MHz/133.33.in.bis (from /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1

[...] -b/133.33.in.bis:8391)

[...] A /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/Hansen/800_MHz/133.33.in.bis_sparky (from /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/da

[...] taset_1-b/133.33.in.bis_sparky:8391)

[...] A /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/Hansen/800_MHz/133.33.in_sparky (from /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/datase

[...] t_1-b/133.33.in_sparky:8391)

[...] A /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/Hansen/800_MHz/200.in (from /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1-b/200.

[...] in:8391)

[...] A /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/Hansen/800_MHz/200.in_sparky (from /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1

[...] -b/200.in_sparky:8391)

[...] A /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/Hansen/800_MHz/266.67.in (from /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1-b/2

[...] 66.67.in:8391)

[...] A /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/Hansen/800_MHz/266.67.in_sparky (from /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/datase

[...] t_1-b/266.67.in_sparky:8391)

[...] A /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/Hansen/800_MHz/333.33.in (from /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1-b/3

[...] 33.33.in:8391)

[...] A /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/Hansen/800_MHz/333.33.in_sparky (from /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/datase

[...] t_1-b/333.33.in_sparky:8391)

[...] A /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/Hansen/800_MHz/400.in (from /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1-b/400.

[...] in:8391)

[...] A /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/Hansen/800_MHz/400.in_sparky (from /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1

[...] -b/400.in_sparky:8391)

[...] A /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/Hansen/800_MHz/466.67.in (from /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1-b/4

[...] 66.67.in:8391)

[...] A /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/Hansen/800_MHz/466.67.in_sparky (from /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/datase

[...] t_1-b/466.67.in_sparky:8391)

[...] A /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/Hansen/800_MHz/533.33.in (from /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1-b/5

[...] 33.33.in:8391)

[...] A /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/Hansen/800_MHz/533.33.in.bis (from /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1

[...] -b/533.33.in.bis:8391)

[...] A /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/Hansen/800_MHz/533.33.in.bis_sparky (from /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/da

[...] taset_1-b/533.33.in.bis_sparky:8391)

[...] A /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/Hansen/800_MHz/533.33.in_sparky (from /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/datase

[...] t_1-b/533.33.in_sparky:8391)

[...] A /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/Hansen/800_MHz/600.in (from /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1-b/600.

[...] in:8391)

[...] A /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/Hansen/800_MHz/600.in_sparky (from /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1

[...] -b/600.in_sparky:8391)

[...] A /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/Hansen/800_MHz/66.667.in (from /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1-b/66.667.in:8391)

[...] A /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/Hansen/800_MHz/66.667.in_sparky (from /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1-b/66.667.in_sparky:8391)

[...] A /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/Hansen/800_MHz/666.67.in (from /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1-b/666.67.in:8391)

[...] A /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/Hansen/800_MHz/666.67.in_sparky (from /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1-b/666.67.in_sparky:8391)

[...] A /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/Hansen/800_MHz/733.33.in (from /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1-b/733.33.in:8391)

[...] A /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/Hansen/800_MHz/733.33.in_sparky (from /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1-b/733.33.in_sparky:8391)

[...] A /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/Hansen/800_MHz/800.in (from /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1-b/800.in:8391)

[...] A /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/Hansen/800_MHz/800.in_sparky (from /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1-b/800.in_sparky:8391)

[...] A /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/Hansen/800_MHz/866.67.in (from /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1-b/866.67.in:8391)

[...] A /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/Hansen/800_MHz/866.67.in_sparky (from /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1-b/866.67.in_sparky:8391)

[...] A /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/Hansen/800_MHz/933.33.in (from /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1-b/933.33.in:8391)

[...] A /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/Hansen/800_MHz/933.33.in.bis (from /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1-b/933.33.in.bis:8391)

[...] A /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/Hansen/800_MHz/933.33.in.bis_sparky (from /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1-b/933.33.in.bis_sparky:8391)

[...] A /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/Hansen/800_MHz/933.33.in_sparky (from /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1-b/933.33.in_sparky:8391)

[...] A /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/Hansen/800_MHz/reference.in (from /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1-b/reference.in:8391)

[...] A /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/Hansen/800_MHz/reference.in_sparky (from /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1-b/reference.in_sparky:8391)

[...] D /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1-a

[...] D /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/dataset_1-b

[...] M /branches/relax_disp/test_suite/system_tests/scripts/relax_disp_cpmg_fast.py

[...] M /branches/relax_disp/test_suite/system_tests/scripts/relax_disp_cpmg_slow.py

[...]

[...] 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@mail.gmail.com>)

[...] .....

[...]........

[...] r19212 | bugman | 2013-03-27 14:28:24 +0100 (Wed, 27 Mar 2013) | 26 lines

[...]

[...] Ported r8395 from the old relax_disp branch into the new branch.

[...]

[...] The command used was:

[...] svn merge -r8394:8395 svn+ssh://bugman@svn.gna.org/svn/relax/branches/relax_disp@r18123 .

[...]

[...] .....

[...] r8395 | semor | 2009-01-11 21:21:13 +0100 (Sun, 11 Jan 2009) | 6 lines

[...] Changed paths:

[...] D /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/Hansen/500_MHz/fake_sequence.in

[...] D /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/Hansen/500_MHz/readme

[...] D /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/Hansen/800_MHz/readme

[...] A /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/Hansen/800_MHz/unresolved

[...] A /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/Hansen/fake_sequence.in (from /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/Hansen/500_MHz

[...] /fake_sequence.in:8394)

[...] A /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/Hansen/readme (from /branches/relax_disp/test_suite/shared_data/curve_fitting_disp/Hansen/500_MHz/readme:83

[...] 94)

[...] M /branches/relax_disp/test_suite/system_tests/scripts/relax_disp_cpmg_fast.py

[...] M /branches/relax_disp/test_suite/system_tests/scripts/relax_disp_cpmg_slow.py

[...]

[...] Added an 'unresolved' file to the 800 MHz data and moved (and modified) some files (sequence and

[...] readme) so there is only one copy for the 500 and 800 MHz data.

[...]

[...] This prevents duplicated files.

[...] .....

[...]........

[...] r19213 | bugman | 2013-03-27 14:29:34 +0100 (Wed, 27 Mar 2013) | 21 lines

[...]

[...] Ported r8396 from the old relax_disp branch into the new branch.

[...]

[...] The command used was:

[...] svn merge -r8395:8396 svn+ssh://bugman@svn.gna.org/svn/relax/branches/relax_disp/specific_fns/@r18123 specific_analyses

[...]

[...] .....

[...] r8396 | semor | 2009-01-11 21:29:53 +0100 (Sun, 11 Jan 2009) | 10 lines

[...] Changed paths:

[...] M /branches/relax_disp/specific_fns/relax_disp.py

[...]

[...] Changed the object names so they are lower case as they should be, based on the rest of the code.

[...]

[...] Made the equivalent change in the function assemble_param_vector() to allow the system-test to go

[...] further..

[...]

[...] This was spotted by Ed in a post at:

[...] https://mail.gna.org/public/relax-devel/2009-01/msg00058.html

[...] (Message-id: <7f080ed10901111041n65ecd976ie058ed0500d47746@mail.gmail.com>)

[...] .....

[...]........

[...] r19214 | bugman | 2013-03-27 14:30:35 +0100 (Wed, 27 Mar 2013) | 18 lines

[...]

[...] Ported r8397 from the old relax_disp branch into the new branch.

[...]

[...] The command used was:

[...] svn merge -r8396:8397 svn+ssh://bugman@svn.gna.org/svn/relax/branches/relax_disp/specific_fns/@r18123 specific_analyses

[...]

[...] .....

[...] r8397 | semor | 2009-01-11 22:38:34 +0100 (Sun, 11 Jan 2009) | 7 lines

[...] Changed paths:

[...] M /branches/relax_disp/specific_fns/relax_disp.py

[...]

[...] Corrected capitalisation issues for param names.

[...]

[...] These were spotted by Ed in a thread starting at:

[...] https://mail.gna.org/public/relax-devel/2009-01/msg00059.html

[...] (Message-id: <7f080ed10901111240o15a93096w59b397684b010634@mail.gmail.com>)

[...] .....

[...]........

[...] r19215 | bugman | 2013-03-27 14:31:30 +0100 (Wed, 27 Mar 2013) | 17 lines

[...]

[...] Ported r8398 from the old relax_disp branch into the new branch.

[...]

[...] The command used was:

[...] svn merge -r8397:8398 svn+ssh://bugman@svn.gna.org/svn/relax/branches/relax_disp@r18123 .

[...]

[...] .....

[...] r8398 | semor | 2009-01-12 01:53:01 +0100 (Mon, 12 Jan 2009) | 5 lines

[...] Changed paths:

[...] M /branches/relax_disp/test_suite/system_tests/scripts/relax_disp_cpmg_fast.py

[...] M /branches/relax_disp/test_suite/system_tests/scripts/relax_disp_cpmg_slow.py

[...]

[...] Rearranged commands in the scripts.

[...]

[...] The experiment type and exchange regime will have to be input before the cpmg pulse train delay T.

[...] .....

[...]........

[...] r19216 | bugman | 2013-03-27 14:32:24 +0100 (Wed, 27 Mar 2013) | 16 lines

[...]

[...] Ported r8399 from the old relax_disp branch into the new branch.

[...]

[...] The command used was:

[...] svn merge -r8398:8399 svn+ssh://bugman@svn.gna.org/svn/relax/branches/relax_disp/specific_fns/@r18123 specific_analyses

[...]

[...] .....

[...] r8399 | semor | 2009-01-12 01:54:56 +0100 (Mon, 12 Jan 2009) | 5 lines

[...] Changed paths:

[...] M /branches/relax_disp/specific_fns/relax_disp.py

[...]

[...] Introduced a relaxError when chosing 'r1rho' as experiment type as this won't be implemented now.

[...]

[...] Efforts will be concentrated on the CPMG code first, then on the R1rho code.

[...] .....

[...]........

[...] r19217 | bugman | 2013-03-27 14:32:54 +0100 (Wed, 27 Mar 2013) | 18 lines

[...]

[...] Ported r8415 from the old relax_disp branch into the new branch.

[...]

[...] The command used was:

[...] svn merge -r8414:8415 svn+ssh://bugman@svn.gna.org/svn/relax/branches/relax_disp/specific_fns/@r18123 specific_analyses

[...]

[...] .....

[...] r8415 | semor | 2009-01-12 14:27:11 +0100 (Mon, 12 Jan 2009) | 7 lines

[...] Changed paths:

[...] M /branches/relax_disp/specific_fns/relax_disp.py

[...]

[...] Added tests, print statements and other code to the relaxation dispersion specific functions.

[...]

[...] Tests were proosed by Ed in a post at:

[...] https://mail.gna.org/public/relax-devel/2009-01/msg00065.html

[...] (Message-id: <7f080ed10901120107t4f1cd53ew51f498a45a38eade@mail.gmail.com>)

[...] .....

[...]........

[...] r19218 | bugman | 2013-03-27 14:33:37 +0100 (Wed, 27 Mar 2013) | 16 lines

[...]

[...] Ported r8417 from the old relax_disp branch into the new branch.

[...]

[...] The command used was:

[...] svn merge -r8416:8417 svn+ssh://bugman@svn.gna.org/svn/relax/branches/relax_disp/specific_fns/@r18123 specific_analyses

[...]

[...] .....

[...] r8417 | semor | 2009-01-12 14:42:33 +0100 (Mon, 12 Jan 2009) | 5 lines

[...] Changed paths:

[...] M /branches/relax_disp/specific_fns/relax_disp.py

[...]

[...] Made a few corrections proposed by Ed in a post at:

[...] https://mail.gna.org/public/relax-devel/2009-01/msg00066.html

[...] (Message-id: <7f080ed10901120532h736892bbmd03483b4decadf39@mail.gmail.com>)

[...] .....

[...]........

[...] r19219 | bugman | 2013-03-27 14:40:58 +0100 (Wed, 27 Mar 2013) | 21 lines

[...]

[...] Ported r8426 from the old relax_disp branch into the new branch.

[...]

[...] The command used was:

[...] svn merge -r8425:8426 svn+ssh://bugman@svn.gna.org/svn/relax/branches/relax_disp/specific_fns/@r

(Browse SVN revision 21659)

Edward d Auvergne <bugman>
Project Administrator
Thu 17 Oct 2013 06:52:49 AM UTC, comment #8:

The file attached here is the original p3.analytical Maple file written by Nikolai Skrynnikov which he used to expand the Bloch-McConnell equations. The file generates FORTRAN output which was then manually converted into the Matlab files attached at comment #5.

(file #19198)

Edward d Auvergne <bugman>
Project Administrator
Tue 08 Oct 2013 08:56:01 AM UTC, comment #7:

The attached files are the code/scripts from Mathilde Lescanne and Dominique Marion for fitting the 'MQ NS 2-site' model (the multi-quantum 2-site numerical solution). Also attached is a screenshot of the equations used. These were sent for incorporation into relax via a private email from Dominique Marion. Some text from that email which is of use for the implementation is:

"""
Please find enclosed the two pieces of software that Mathilde wrote to analyze the MQ exchange experiments. The equations for the MQ evolution have been reported in two papers (1, 2) from Lewis Kay's lab but these two papers use different notations... Mathilde has used the notation described the first reference (1) (cf enclosed screen capture). The equations of interest start at line #93 of "fitting_main.py".

(1) Korzhnev, D. M., Kloiber, K., Kanelis, V., Tugarinov, V., and Kay, L. E. (2004) Probing Slow Dynamics in High Molecular Weight Proteins by Methyl-TROSY NMR Spectroscopy: Application to a 723-Residue Enzyme. J Am Chem Soc 126, 3964–3973

(2) Korzhnev, D. M., Kloiber, K., and Kay, L. E. (2004) Multiple-Quantum Relaxation Dispersion NMR Spectroscopy Probing Millisecond Time-Scale Dynamics in Proteins: Theory and Application. J Am Chem Soc 126, 7320–7329
"""

(file #19140, file #19141, file #19142)

Edward d Auvergne <bugman>
Project Administrator
Tue 08 Oct 2013 08:49:57 AM UTC, comment #6:

The attached file was sent in a private email by Paul Schanda. The important text of that message was "... attached is one of the data sets for MQ relaxation dispersion. It is from Remco Spranger's work, published in PNAS. There is a README file in the tar file."

(file #19139)

Edward d Auvergne <bugman>
Project Administrator
Wed 24 Jul 2013 10:03:17 AM UTC, comment #5:

Here are a number of Matlab functions for doing CPMG and R1rho fits, both using the numerical versions (Bloch-McConnell) and the analytical solutions.
The intention is to get them into relax by translating the code to python syntax.
Paul

(file #18404)

Paul Schanda <pasa>
Fri 12 Jul 2013 03:12:38 PM UTC, SVN revision 20285:

Added the missing mpower() function as lib.linear_algebra.matrix_power.square_matrix_power().

This is needed by the lib.dispersion.ns_2site_star module.

The function comes from the 'fitting_main_kex.py' file attached to comment 3 of task #7712
(https://gna.org/task/?7712#comment3, https://gna.org/support/download.php?file_id=18263).
The mpower() function was copied and modified to suite relax's coding conventions.

(Browse SVN revision 20285)

Edward d Auvergne <bugman>
Project Administrator
Fri 12 Jul 2013 02:22:26 PM UTC, comment #3:

The attached file 'fitting_main_kex.py' comes from the message from Paul Schanda at:

http://thread.gmane.org/gmane.science.nmr.relax.devel/4132/focus=4140

(file #18263)

Edward d Auvergne <bugman>
Project Administrator
Fri 12 Jul 2013 12:58:57 PM UTC, comment #2:

The attached file 'relax.tar.gz' comes from the message from Mathilde Lescanne at:

http://thread.gmane.org/gmane.science.nmr.relax.devel/4138

It contains a newer version of the previously attached file.

(file #18262)

Edward d Auvergne <bugman>
Project Administrator
Thu 11 Jul 2013 07:52:44 AM UTC, comment #1:

The attached ZIP file contains Python code for implementing the numerical integration of the Bloch-McConnell equations for the 2-site model. It was sent by Paul Schanda in a private mail, and is attached here as a public reference.

The 'fitting_main.py' will be broken up and placed within the relax library (the lib/disperion/ directory in the relax_disp branch). The func1() functions in MakeFunction() will be split out into different functions or modules in lib/dispersion/, as well as the RCPMG_3D() and RCPMG_2D() functions for constructing the matrices.

(file #18249)

Edward d Auvergne <bugman>
Project Administrator
Tue 09 Jul 2013 09:49:01 AM UTC, original submission:

This task is specifically for the addition of code for the numerical integration of the Bloch-McConnell equations for the analysis of relaxation dispersion data. It is related to task #6401 (https://gna.org/task/?6401), the addition of the analysis relaxation dispersion data to relax.

This task can be used for attaching files for inclusion in the relax_disp branch of relax (http://svn.gna.org/viewcvs/relax/branches/relax_disp/?pathrev=20261). It will be used as the central point for the development and addition of this code to relax.

Edward d Auvergne <bugman>
Project Administrator

 

(Note: upload size limit is set to 1024 kB, after insertion of the required escape characters.)

Attach File(s):
   
   
Comment:
   

Attached Files
file #19198:  p3.analytical added by bugman (2kB - application/octet-stream - The Maple input file from Nikolai Skrynnikov used to expand the Bloch-McConnell equations.)
file #19140:  fitting_main.py added by bugman (14kB - text/x-python - Scripts and screenshot of the equations for the 'MQ NS 2-site' model.)
file #19141:  dfdfdigj.jpg added by bugman (94kB - image/jpeg - Scripts and screenshot of the equations for the 'MQ NS 2-site' model.)
file #19142:  InputFilesReading.py added by bugman (5kB - text/x-python - Scripts and screenshot of the equations for the 'MQ NS 2-site' model.)
file #19139:  for_paul.tar added by bugman (760kB - application/x-tar)
file #18404:  sim_all.tar added by pasa (30kB - application/x-tar)
file #18262:  relax.tar.gz added by bugman (12kB - application/x-gzip)
file #18249:  main_fit.zip added by bugman (30kB - application/zip - Python code contribution from Paul Schanda, Mathilde Lescanne, and Dominique Marion)

 

Depends on the following items: None found

Items that depend on this one: None found

 

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    Follow 22 latest changes.

    Date Changed By Updated Field Previous Value => Replaced By
    Thu 17 Oct 2013 06:53:12 AM UTCbugmanStatusIn Progress=>Completed
      Percent Complete80%=>100%
      Open/ClosedOpen=>Closed
    Thu 17 Oct 2013 06:52:49 AM UTCbugmanAttached File-=>Added p3.analytical, #19198
    Tue 08 Oct 2013 08:56:35 AM UTCbugmanSummaryNumerical integration of the Bloch-McConnell equations to the relaxation dispersion analysis.=>Addition of the numerical solutions of the Bloch-McConnell equations to the relaxation dispersion analysis.
    Tue 08 Oct 2013 08:56:01 AM UTCbugmanAttached File-=>Added fitting_main.py, #19140
      Attached File-=>Added dfdfdigj.jpg, #19141
      Attached File-=>Added InputFilesReading.py, #19142
    Tue 08 Oct 2013 08:51:05 AM UTCbugmanCarbon-CopyRemoved -unavailable-=>-
    Tue 08 Oct 2013 08:49:57 AM UTCbugmanAttached File-=>Added for_paul.tar, #19139
      Should be Finished onFri 09 Aug 2013 12:00:00 AM UTC=>Wed 30 Oct 2013 12:00:00 AM UTC
      Percent Complete10%=>80%
      Carbon-Copy-=>Added -unavailable-
    Wed 24 Jul 2013 10:03:17 AM UTCpasaAttached File-=>Added sim_all.tar, #18404
    Fri 12 Jul 2013 02:22:25 PM UTCbugmanAttached File-=>Added fitting_main_kex.py, #18263
    Fri 12 Jul 2013 12:58:57 PM UTCbugmanAttached File-=>Added relax.tar.gz, #18262
    Thu 11 Jul 2013 07:52:44 AM UTCbugmanAttached File-=>Added main_fit.zip, #18249
      StatusNone=>In Progress
      Percent Complete0%=>10%
      Carbon-Copy-=>Added -unavailable-
    Tue 09 Jul 2013 09:49:02 AM UTCbugmanCarbon-Copy-=>Added -unavailable-
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