helprelax - Support: sr #3071, Implementation of Tollinger/Kay...

 
 
Show feedback again

sr #3071: Implementation of Tollinger/Kay dispersion model (2001)

Submitted by:  Troels E. Linnet <tlinnet>
Submitted on:  Sat 17 Aug 2013 12:19:06 PM UTC  
 
Category: NonePriority: 5 - Normal
Severity: 3 - NormalStatus: Done
Assigned to: Troels E. Linnet <tlinnet>Open/Closed: Closed
Operating System: None

Add a New Comment (Rich MarkupRich Markup):
   

You are not logged in

Please log in, so followups can be emailed to you.

 

(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
Mon 21 Oct 2013 12:24:49 PM UTC, comment #97:

Could this be closed?

Troels E. Linnet <tlinnet>
Project MemberIn charge of this item.
Mon 07 Oct 2013 01:41:55 PM UTC, SVN revision 21008:

Fixed several typo errors of "Is it selected"->"It is selected". A copy-paste error which have spreaded.

Progress sr #3071: https://gna.org/support/index.php?3071 - Implementation of Tollinger/Kay dispersion model (2001)
Following the guide at: http://wiki.nmr-relax.com/Tutorial_for_adding_relaxation_dispersion_models_to_relax

Troels E. Linnet provided this patch. Commit by: tlinnet aaattt gmail_dot_com

Signed-off-by: Edward d'Auvergne

(Browse SVN revision 21008)

Edward d Auvergne <bugman>
Project Administrator
Mon 07 Oct 2013 01:41:54 PM UTC, SVN revision 21007:

Added Tollinger model TSMFK01 to sample scripts.

Progress sr #3071: https://gna.org/support/index.php?3071 - Implementation of Tollinger/Kay dispersion model (2001)
Following the guide at: http://wiki.nmr-relax.com/Tutorial_for_adding_relaxation_dispersion_models_to_relax

Troels E. Linnet provided this patch. Commit by: tlinnet aaattt gmail_dot_com

Signed-off-by: Edward d'Auvergne

(Browse SVN revision 21007)

Edward d Auvergne <bugman>
Project Administrator
Mon 07 Oct 2013 01:41:52 PM UTC, SVN revision 21006:

Added Tollinger reference.

Progress sr #3071: https://gna.org/support/index.php?3071 - Implementation of Tollinger/Kay dispersion model (2001)
Following the guide at: http://wiki.nmr-relax.com/Tutorial_for_adding_relaxation_dispersion_models_to_relax

Troels E. Linnet provided this patch. Commit by: tlinnet aaattt gmail_dot_com

Signed-off-by: Edward d'Auvergne

(Browse SVN revision 21006)

Edward d Auvergne <bugman>
Project Administrator
Sun 15 Sep 2013 03:36:07 PM UTC, comment #93:

Added patches according to suggestions for changes.

(file #19006)

Troels E. Linnet <tlinnet>
Project MemberIn charge of this item.
Fri 13 Sep 2013 12:53:31 PM UTC, SVN revision 21003:

Merged revisions 21000-21002 via svnmerge from
svn+ssh://bugman@svn.gna.org/svn/relax/trunk

........
r21000 | bugman | 2013-09-13 14:52:30 +0200 (Fri, 13 Sep 2013) | 8 lines

Fix for bibtex warning 'Warning--string name "mb" is undefined'.

Progress sr #3071: https://gna.org/support/index.php?3071 - Implementation of Tollinger/Kay dispersion model (2001)
Following the guide at: http://wiki.nmr-relax.com/Tutorial_for_adding_relaxation_dispersion_models_to_relax

Troels E. Linnet provided this patch. Commit by: tlinnet aaattt gmail_dot_com

Signed-off-by: Edward d'Auvergne
........
r21001 | bugman | 2013-09-13 14:52:32 +0200 (Fri, 13 Sep 2013) | 8 lines

Fix for latex bibtex string 'cp' instead of 'cj'.

Progress sr #3071: https://gna.org/support/index.php?3071 - Implementation of Tollinger/Kay dispersion model (2001)
Following the guide at: http://wiki.nmr-relax.com/Tutorial_for_adding_relaxation_dispersion_models_to_relax

Troels E. Linnet provided this patch. Commit by: tlinnet aaattt gmail_dot_com

Signed-off-by: Edward d'Auvergne
........
r21002 | bugman | 2013-09-13 14:52:33 +0200 (Fri, 13 Sep 2013) | 8 lines

Another fix for bibtex string 'cp' instead of 'cj'.

Progress sr #3071: https://gna.org/support/index.php?3071 - Implementation of Tollinger/Kay dispersion model (2001)
Following the guide at: http://wiki.nmr-relax.com/Tutorial_for_adding_relaxation_dispersion_models_to_relax

Troels E. Linnet provided this patch. Commit by: tlinnet aaattt gmail_dot_com

Signed-off-by: Edward d'Auvergne
........

(Browse SVN revision 21003)

Edward d Auvergne <bugman>
Project Administrator
Fri 13 Sep 2013 12:52:33 PM UTC, SVN revision 21002:

Another fix for bibtex string 'cp' instead of 'cj'.

Progress sr #3071: https://gna.org/support/index.php?3071 - Implementation of Tollinger/Kay dispersion model (2001)
Following the guide at: http://wiki.nmr-relax.com/Tutorial_for_adding_relaxation_dispersion_models_to_relax

Troels E. Linnet provided this patch. Commit by: tlinnet aaattt gmail_dot_com

Signed-off-by: Edward d'Auvergne

(Browse SVN revision 21002)

Edward d Auvergne <bugman>
Project Administrator
Fri 13 Sep 2013 12:52:32 PM UTC, SVN revision 21001:

Fix for latex bibtex string 'cp' instead of 'cj'.

Progress sr #3071: https://gna.org/support/index.php?3071 - Implementation of Tollinger/Kay dispersion model (2001)
Following the guide at: http://wiki.nmr-relax.com/Tutorial_for_adding_relaxation_dispersion_models_to_relax

Troels E. Linnet provided this patch. Commit by: tlinnet aaattt gmail_dot_com

Signed-off-by: Edward d'Auvergne

(Browse SVN revision 21001)

Edward d Auvergne <bugman>
Project Administrator
Fri 13 Sep 2013 12:52:30 PM UTC, SVN revision 21000:

Fix for bibtex warning 'Warning--string name "mb" is undefined'.

Progress sr #3071: https://gna.org/support/index.php?3071 - Implementation of Tollinger/Kay dispersion model (2001)
Following the guide at: http://wiki.nmr-relax.com/Tutorial_for_adding_relaxation_dispersion_models_to_relax

Troels E. Linnet provided this patch. Commit by: tlinnet aaattt gmail_dot_com

Signed-off-by: Edward d'Auvergne

(Browse SVN revision 21000)

Edward d Auvergne <bugman>
Project Administrator
Thu 12 Sep 2013 09:08:19 AM UTC, SVN revision 20988:

Fix for adding TSMFK01 to sample scripts.

Progress sr #3071: https://gna.org/support/index.php?3071 - Implementation of Tollinger/Kay dispersion model (2001)
Following the guide at: http://wiki.nmr-relax.com/Tutorial_for_adding_relaxation_dispersion_models_to_relax

Troels E. Linnet provided this patch. Commit by: tlinnet aaattt gmail_dot_com

Signed-off-by: Edward d'Auvergne

(Browse SVN revision 20988)

Edward d Auvergne <bugman>
Project Administrator
Thu 12 Sep 2013 09:08:16 AM UTC, SVN revision 20987:

Added subsection with TSMFK01 model.

Progress sr #3071: https://gna.org/support/index.php?3071 - Implementation of Tollinger/Kay dispersion model (2001)
Following the guide at: http://wiki.nmr-relax.com/Tutorial_for_adding_relaxation_dispersion_models_to_relax

Troels E. Linnet provided this patch. Commit by: tlinnet aaattt gmail_dot_com

Signed-off-by: Edward d'Auvergne

(Browse SVN revision 20987)

Edward d Auvergne <bugman>
Project Administrator
Thu 12 Sep 2013 09:08:15 AM UTC, SVN revision 20986:

Added TSMFK01 to model overview table.

Progress sr #3071: https://gna.org/support/index.php?3071 - Implementation of Tollinger/Kay dispersion model (2001)
Following the guide at: http://wiki.nmr-relax.com/Tutorial_for_adding_relaxation_dispersion_models_to_relax

Troels E. Linnet provided this patch. Commit by: tlinnet aaattt gmail_dot_com

Signed-off-by: Edward d'Auvergne

(Browse SVN revision 20986)

Edward d Auvergne <bugman>
Project Administrator
Thu 12 Sep 2013 09:08:14 AM UTC, SVN revision 20985:

Added desc. item for model TSMFK01.

Progress sr #3071: https://gna.org/support/index.php?3071 - Implementation of Tollinger/Kay dispersion model (2001)
Following the guide at: http://wiki.nmr-relax.com/Tutorial_for_adding_relaxation_dispersion_models_to_relax

Troels E. Linnet provided this patch. Commit by: tlinnet aaattt gmail_dot_com

Signed-off-by: Edward d'Auvergne

(Browse SVN revision 20985)

Edward d Auvergne <bugman>
Project Administrator
Thu 12 Sep 2013 06:00:57 AM UTC, comment #84:

Patches for manual added.

The preamble settings, the frontpage and frontmatter, and appendix has been moved into separate files.

This was to facilitate efficient use of \includeonly
so compilation was only performed on the dispersion file, and with use of pdflatex instead of latex.

The compilation time with pdflatex on dispersion chapter now only, takes 2-3 seconds.

When using pdflatex, Texmaker can also use the internal pdfviewer, with auto-jumping from latex line to pdf, and the possibility to right-click in pdf and jump back to line.

(file #18974)

Troels E. Linnet <tlinnet>
Project MemberIn charge of this item.
Wed 11 Sep 2013 11:06:37 AM UTC, SVN revision 20979:

Modified headers for scripts producing analysis for data which is full or truncated.

Progress sr #3071: https://gna.org/support/index.php?3071 - Implementation of Tollinger/Kay dispersion model (2001)
Following the guide at: http://wiki.nmr-relax.com/Tutorial_for_adding_relaxation_dispersion_models_to_relax

Troels E. Linnet provided this patch. Commit by: tlinnet aaattt gmail_dot_com

Signed-off-by: Edward d'Auvergne

(Browse SVN revision 20979)

Edward d Auvergne <bugman>
Project Administrator
Wed 11 Sep 2013 11:03:50 AM UTC, comment #82:

Patch for making same header in scripts producing analysis.

(file #18966)

Troels E. Linnet <tlinnet>
Project MemberIn charge of this item.
Wed 11 Sep 2013 11:03:45 AM UTC, SVN revision 20978:

Added systemtests for conversion of kex to k_AB/k_BA for models where kex and pA is present.

Progress sr #3071: https://gna.org/support/index.php?3071 - Implementation of Tollinger/Kay dispersion model (2001)
Following the guide at: http://wiki.nmr-relax.com/Tutorial_for_adding_relaxation_dispersion_models_to_relax

Troels E. Linnet provided this patch. Commit by: tlinnet aaattt gmail_dot_com

Signed-off-by: Edward d'Auvergne

(Browse SVN revision 20978)

Edward d Auvergne <bugman>
Project Administrator
Wed 11 Sep 2013 11:03:44 AM UTC, SVN revision 20977:

Fix for passing system test on windows with python 32. Precision lowered by 2 decimals.

Progress sr #3071: https://gna.org/support/index.php?3071 - Implementation of Tollinger/Kay dispersion model (2001)
Following the guide at: http://wiki.nmr-relax.com/Tutorial_for_adding_relaxation_dispersion_models_to_relax

Troels E. Linnet provided this patch. Commit by: tlinnet aaattt gmail_dot_com

Signed-off-by: Edward d'Auvergne

(Browse SVN revision 20977)

Edward d Auvergne <bugman>
Project Administrator
Wed 11 Sep 2013 11:03:43 AM UTC, SVN revision 20976:

Added system test for testing conversion to k_BA from kex and pA.

Progress sr #3071: https://gna.org/support/index.php?3071 - Implementation of Tollinger/Kay dispersion model (2001)
Following the guide at: http://wiki.nmr-relax.com/Tutorial_for_adding_relaxation_dispersion_models_to_relax

Troels E. Linnet provided this patch. Commit by: tlinnet aaattt gmail_dot_com

Signed-off-by: Edward d'Auvergne

(Browse SVN revision 20976)

Edward d Auvergne <bugman>
Project Administrator
Wed 11 Sep 2013 11:03:41 AM UTC, SVN revision 20975:

Added the conversion to k_BA from kex and pA.

Progress sr #3071: https://gna.org/support/index.php?3071 - Implementation of Tollinger/Kay dispersion model (2001)
Following the guide at: http://wiki.nmr-relax.com/Tutorial_for_adding_relaxation_dispersion_models_to_relax

Troels E. Linnet provided this patch. Commit by: tlinnet aaattt gmail_dot_com

Signed-off-by: Edward d'Auvergne

(Browse SVN revision 20975)

Edward d Auvergne <bugman>
Project Administrator
Wed 11 Sep 2013 11:03:40 AM UTC, SVN revision 20974:

Fixed bug, where kex to k_AB where not possible if the model does not contain parameter 'pA'. The conversion is now skipped.

Progress sr #3071: https://gna.org/support/index.php?3071 - Implementation of Tollinger/Kay dispersion model (2001)
Following the guide at: http://wiki.nmr-relax.com/Tutorial_for_adding_relaxation_dispersion_models_to_relax

Troels E. Linnet provided this patch. Commit by: tlinnet aaattt gmail_dot_com

Signed-off-by: Edward d'Auvergne

(Browse SVN revision 20974)

Edward d Auvergne <bugman>
Project Administrator
Wed 11 Sep 2013 10:47:06 AM UTC, comment #76:

Adding pathches for fixing bug where conversion to k_AB/k_BA can be done if pA is available.

Also lowering a test with 2 decimals, for making all the dispersion tests pass on windows.

Adding several k_AB and k_BA tests.

(file #18965)

Troels E. Linnet <tlinnet>
Project MemberIn charge of this item.
Tue 10 Sep 2013 01:56:36 PM UTC, comment #75:

I think this should be considered done?

The other issues I have, are "reporting of values" wishes.

Troels E. Linnet <tlinnet>
Project MemberIn charge of this item.
Tue 10 Sep 2013 12:39:52 PM UTC, SVN revision 20966:

Added the conversion to k_AB from kex and pA. k_AB = kex * (1.0 - pA).

Progress sr #3071: https://gna.org/support/index.php?3071 - Implementation of Tollinger/Kay dispersion model (2001)
Following the guide at: http://wiki.nmr-relax.com/Tutorial_for_adding_relaxation_dispersion_models_to_relax

Troels E. Linnet provided this patch. Commit by: tlinnet aaattt gmail_dot_com

Signed-off-by: Edward d'Auvergne

(Browse SVN revision 20966)

Edward d Auvergne <bugman>
Project Administrator
Tue 10 Sep 2013 12:39:49 PM UTC, SVN revision 20965:

Optimized the target function for model TSMFK.

Progress sr #3071: https://gna.org/support/index.php?3071 - Implementation of Tollinger/Kay dispersion model (2001)
Following the guide at: http://wiki.nmr-relax.com/Tutorial_for_adding_relaxation_dispersion_models_to_relax

Troels E. Linnet provided this patch. Commit by: tlinnet aaattt gmail_dot_com

Signed-off-by: Edward d'Auvergne

(Browse SVN revision 20965)

Edward d Auvergne <bugman>
Project Administrator
Tue 10 Sep 2013 12:39:48 PM UTC, SVN revision 20964:

Added to calculate the tau_cpmg times when model is TSMFK01.

Progress sr #3071: https://gna.org/support/index.php?3071 - Implementation of Tollinger/Kay dispersion model (2001)
Following the guide at: http://wiki.nmr-relax.com/Tutorial_for_adding_relaxation_dispersion_models_to_relax

Troels E. Linnet provided this patch. Commit by: tlinnet aaattt gmail_dot_com

Signed-off-by: Edward d'Auvergne

(Browse SVN revision 20964)

Edward d Auvergne <bugman>
Project Administrator
Tue 10 Sep 2013 12:39:44 PM UTC, SVN revision 20963:

Added the write-out of 'dw' and 'k_AB' for model TSMFK01, when performing auto-analysis.

Progress sr #3071: https://gna.org/support/index.php?3071 - Implementation of Tollinger/Kay dispersion model (2001)
Following the guide at: http://wiki.nmr-relax.com/Tutorial_for_adding_relaxation_dispersion_models_to_relax

Troels E. Linnet provided this patch. Commit by: tlinnet aaattt gmail_dot_com

Signed-off-by: Edward d'Auvergne

(Browse SVN revision 20963)

Edward d Auvergne <bugman>
Project Administrator
Tue 10 Sep 2013 12:35:12 PM UTC, comment #70:

Added patches after correction suggestions.

-------
I would be very happy, if the "model" was also written out to the parameter files.

For the "final" run, it would make a very good overview, if it was possible to determine which model has created the parameter.

At the moment, such information is not easily obtained.

(file #18956)

Troels E. Linnet <tlinnet>
Project MemberIn charge of this item.
Tue 10 Sep 2013 10:29:54 AM UTC, comment #69:

Modified write out functions for parameters and optimized the target function.

(file #18955)

Troels E. Linnet <tlinnet>
Project MemberIn charge of this item.
Tue 10 Sep 2013 06:41:38 AM UTC, SVN revision 20953:

Changed reference to Tollinger et al. instead of Tollinger/Kay.

Progress sr #3071: https://gna.org/support/index.php?3071 - Implementation of Tollinger/Kay dispersion model (2001)
Following the guide at: http://wiki.nmr-relax.com/Tutorial_for_adding_relaxation_dispersion_models_to_relax

Troels E. Linnet provided this patch. Commit by: tlinnet aaattt gmail_dot_com

Signed-off-by: Edward d'Auvergne

(Browse SVN revision 20953)

Edward d Auvergne <bugman>
Project Administrator
Mon 09 Sep 2013 08:07:42 PM UTC, comment #67:

Updates for the precious patches.

(file #18948, file #18949)

Troels E. Linnet <tlinnet>
Project MemberIn charge of this item.
Mon 09 Sep 2013 07:29:40 PM UTC, comment #66:

Follow up pathches for reference re-write and target function update.

(file #18945, file #18946)

Troels E. Linnet <tlinnet>
Project MemberIn charge of this item.
Mon 09 Sep 2013 04:33:09 PM UTC, SVN revision 20943:

Added the output from relax after analysis of all models.

Progress sr #3071: https://gna.org/support/index.php?3071 - Implementation of Tollinger/Kay dispersion model (2001)
Following the guide at: http://wiki.nmr-relax.com/Tutorial_for_adding_relaxation_dispersion_models_to_relax

Troels E. Linnet provided this patch. Commit by: tlinnet aaattt gmail_dot_com

Signed-off-by: Edward d'Auvergne

(Browse SVN revision 20943)

Edward d Auvergne <bugman>
Project Administrator
Mon 09 Sep 2013 04:33:01 PM UTC, SVN revision 20942:

Modified doc string for the script analysing all models for residue L61.

Progress sr #3071: https://gna.org/support/index.php?3071 - Implementation of Tollinger/Kay dispersion model (2001)
Following the guide at: http://wiki.nmr-relax.com/Tutorial_for_adding_relaxation_dispersion_models_to_relax

Troels E. Linnet provided this patch. Commit by: tlinnet aaattt gmail_dot_com

Signed-off-by: Edward d'Auvergne

(Browse SVN revision 20942)

Edward d Auvergne <bugman>
Project Administrator
Mon 09 Sep 2013 04:32:59 PM UTC, SVN revision 20941:

Added to the README file for the 1.01 M GuHCL experiment.

Progress sr #3071: https://gna.org/support/index.php?3071 - Implementation of Tollinger/Kay dispersion model (2001)
Following the guide at: http://wiki.nmr-relax.com/Tutorial_for_adding_relaxation_dispersion_models_to_relax

Troels E. Linnet provided this patch. Commit by: tlinnet aaattt gmail_dot_com

Signed-off-by: Edward d'Auvergne

(Browse SVN revision 20941)

Edward d Auvergne <bugman>
Project Administrator
Mon 09 Sep 2013 04:32:01 PM UTC, SVN revision 20940:

Added dataset experiment in 1.01 M GuHCl (guanidine hydrochloride).

Progress sr #3071: https://gna.org/support/index.php?3071 - Implementation of Tollinger/Kay dispersion model (2001)
Following the guide at: http://wiki.nmr-relax.com/Tutorial_for_adding_relaxation_dispersion_models_to_relax

Troels E. Linnet provided this patch. Commit by: tlinnet aaattt gmail_dot_com

Signed-off-by: Edward d'Auvergne

(Browse SVN revision 20940)

Edward d Auvergne <bugman>
Project Administrator
Mon 09 Sep 2013 04:31:59 PM UTC, SVN revision 20939:

Re-run of data after movement of scripts.

Progress sr #3071: https://gna.org/support/index.php?3071 - Implementation of Tollinger/Kay dispersion model (2001)
Following the guide at: http://wiki.nmr-relax.com/Tutorial_for_adding_relaxation_dispersion_models_to_relax

Troels E. Linnet provided this patch. Commit by: tlinnet aaattt gmail_dot_com

Signed-off-by: Edward d'Auvergne

(Browse SVN revision 20939)

Edward d Auvergne <bugman>
Project Administrator
Mon 09 Sep 2013 04:31:57 PM UTC, SVN revision 20938:

Changed scripts after moving data.

Progress sr #3071: https://gna.org/support/index.php?3071 - Implementation of Tollinger/Kay dispersion model (2001)
Following the guide at: http://wiki.nmr-relax.com/Tutorial_for_adding_relaxation_dispersion_models_to_relax

Troels E. Linnet provided this patch. Commit by: tlinnet aaattt gmail_dot_com

Signed-off-by: Edward d'Auvergne

(Browse SVN revision 20938)

Edward d Auvergne <bugman>
Project Administrator
Mon 09 Sep 2013 04:30:55 PM UTC, SVN revision 20937:

Moved files into folder which is specific for the experiment.

Progress sr #3071: https://gna.org/support/index.php?3071 - Implementation of Tollinger/Kay dispersion model (2001)
Following the guide at: http://wiki.nmr-relax.com/Tutorial_for_adding_relaxation_dispersion_models_to_relax

Troels E. Linnet provided this patch. Commit by: tlinnet aaattt gmail_dot_com

Signed-off-by: Edward d'Auvergne

(Browse SVN revision 20937)

Edward d Auvergne <bugman>
Project Administrator
Mon 09 Sep 2013 04:30:53 PM UTC, SVN revision 20936:

Modified system test after inclusion of 1M GuHCl dataset.

Progress sr #3071: https://gna.org/support/index.php?3071 - Implementation of Tollinger/Kay dispersion model (2001)
Following the guide at: http://wiki.nmr-relax.com/Tutorial_for_adding_relaxation_dispersion_models_to_relax

Troels E. Linnet provided this patch. Commit by: tlinnet aaattt gmail_dot_com

Signed-off-by: Edward d'Auvergne

(Browse SVN revision 20936)

Edward d Auvergne <bugman>
Project Administrator
Mon 09 Sep 2013 03:17:19 PM UTC, comment #57:

Added new 1.01 M Gua HCl dataset.
The one mentioned in the figure 2 in the article.

System-test re-written.

The k_AB also now fit for the 0.48 M GuaHCl dataset, after
calculating k_AB from figure 3, where it is shown as ln(k_AB) for all the different Gua HCl concentrations.

(file #18942)

Troels E. Linnet <tlinnet>
Project MemberIn charge of this item.
Fri 06 Sep 2013 03:04:31 PM UTC, SVN revision 20910:

Added k_AB to parameters.

Progress sr #3071: https://gna.org/support/index.php?3071 - Implementation of Tollinger/Kay dispersion model (2001)
Following the guide at: http://wiki.nmr-relax.com/Tutorial_for_adding_relaxation_dispersion_models_to_relax

Troels E. Linnet provided this patch. Commit by: tlinnet aaattt gmail_dot_com

Signed-off-by: Edward d'Auvergne

(Browse SVN revision 20910)

Edward d Auvergne <bugman>
Project Administrator
Fri 06 Sep 2013 03:01:46 PM UTC, comment #55:

Two new pathces.

The test system is turned of until bug or data comparison is consistent.

(file #18899, file #18900)

Troels E. Linnet <tlinnet>
Project MemberIn charge of this item.
Fri 06 Sep 2013 02:12:15 PM UTC, SVN revision 20905:

Converted references of ka and kA to k_AB.

Progress sr #3071: https://gna.org/support/index.php?3071 - Implementation of Tollinger/Kay dispersion model (2001)
Following the guide at: http://wiki.nmr-relax.com/Tutorial_for_adding_relaxation_dispersion_models_to_relax

Troels E. Linnet provided this patch. Commit by: tlinnet aaattt gmail_dot_com

Signed-off-by: Edward d'Auvergne

(Browse SVN revision 20905)

Edward d Auvergne <bugman>
Project Administrator
Fri 06 Sep 2013 01:16:18 PM UTC, comment #53:

Converting kA and ka to k_AB.

(file #18896)

Troels E. Linnet <tlinnet>
Project MemberIn charge of this item.
Fri 06 Sep 2013 12:42:59 PM UTC, SVN revision 20897:

Fixed expydoc formatting.

Progress sr #3071: https://gna.org/support/index.php?3071 - Implementation of Tollinger/Kay dispersion model (2001)
Following the guide at: http://wiki.nmr-relax.com/Tutorial_for_adding_relaxation_dispersion_models_to_relax

Troels E. Linnet provided this patch. Commit by: tlinnet aaattt gmail_dot_com

Signed-off-by: Edward d'Auvergne

(Browse SVN revision 20897)

Edward d Auvergne <bugman>
Project Administrator
Fri 06 Sep 2013 12:42:58 PM UTC, SVN revision 20896:

Fixed missing space typo.

Progress sr #3071: https://gna.org/support/index.php?3071 - Implementation of Tollinger/Kay dispersion model (2001)
Following the guide at: http://wiki.nmr-relax.com/Tutorial_for_adding_relaxation_dispersion_models_to_relax

Troels E. Linnet provided this patch. Commit by: tlinnet aaattt gmail_dot_com

Signed-off-by: Edward d'Auvergne

(Browse SVN revision 20896)

Edward d Auvergne <bugman>
Project Administrator
Fri 06 Sep 2013 12:36:52 PM UTC, comment #50:

Pathches for typos.

(file #18895)

Troels E. Linnet <tlinnet>
Project MemberIn charge of this item.
Fri 06 Sep 2013 11:57:01 AM UTC, SVN revision 20893:

Modified the script for the full analysis of all models of CPMG type.

Progress sr #3071: https://gna.org/support/index.php?3071 - Implementation of Tollinger/Kay dispersion model (2001)
Following the guide at: http://wiki.nmr-relax.com/Tutorial_for_adding_relaxation_dispersion_models_to_relax

Troels E. Linnet provided this patch. Commit by: tlinnet aaattt gmail_dot_com

Signed-off-by: Edward d'Auvergne

(Browse SVN revision 20893)

Edward d Auvergne <bugman>
Project Administrator
Fri 06 Sep 2013 11:56:59 AM UTC, SVN revision 20892:

Started a system test for model TSMFK01.

Progress sr #3071: https://gna.org/support/index.php?3071 - Implementation of Tollinger/Kay dispersion model (2001)
Following the guide at: http://wiki.nmr-relax.com/Tutorial_for_adding_relaxation_dispersion_models_to_relax

Troels E. Linnet provided this patch. Commit by: tlinnet aaattt gmail_dot_com

Signed-off-by: Edward d'Auvergne

(Browse SVN revision 20892)

Edward d Auvergne <bugman>
Project Administrator
Fri 06 Sep 2013 11:43:18 AM UTC, comment #47:

Added a system test for the tsmfk01 model and modified the script for performing all model analysis with the truncated dataset.

The test can be runned with:

relax -s Relax_disp.test_kteilum_fmpoulsen_makke_cpmg_data_to_tsmfk01

(file #18892, file #18893)

Troels E. Linnet <tlinnet>
Project MemberIn charge of this item.
Fri 06 Sep 2013 09:43:35 AM UTC, SVN revision 20886:

Fix for the residue index in the test suite when using the truncated spin system.

Progress sr #3071: https://gna.org/support/index.php?3071 - Implementation of Tollinger/Kay dispersion model (2001)
Following the guide at: http://wiki.nmr-relax.com/Tutorial_for_adding_relaxation_dispersion_models_to_relax

Troels E. Linnet provided this patch. Commit by: tlinnet aaattt gmail_dot_com

Signed-off-by: Edward d'Auvergne

(Browse SVN revision 20886)

Edward d Auvergne <bugman>
Project Administrator
Fri 06 Sep 2013 09:43:34 AM UTC, SVN revision 20885:

Changed the saved states to the truncated spin system.

Progress sr #3071: https://gna.org/support/index.php?3071 - Implementation of Tollinger/Kay dispersion model (2001)
Following the guide at: http://wiki.nmr-relax.com/Tutorial_for_adding_relaxation_dispersion_models_to_relax

Troels E. Linnet provided this patch. Commit by: tlinnet aaattt gmail_dot_com

Signed-off-by: Edward d'Auvergne

(Browse SVN revision 20885)

Edward d Auvergne <bugman>
Project Administrator
Fri 06 Sep 2013 09:43:33 AM UTC, SVN revision 20884:

Changed the initialization script to use the truncated spin system.

Progress sr #3071: https://gna.org/support/index.php?3071 - Implementation of Tollinger/Kay dispersion model (2001)
Following the guide at: http://wiki.nmr-relax.com/Tutorial_for_adding_relaxation_dispersion_models_to_relax

Troels E. Linnet provided this patch. Commit by: tlinnet aaattt gmail_dot_com

Signed-off-by: Edward d'Auvergne

(Browse SVN revision 20884)

Edward d Auvergne <bugman>
Project Administrator
Fri 06 Sep 2013 09:43:31 AM UTC, SVN revision 20883:

Added file which setup a truncated spin system.

Progress sr #3071: https://gna.org/support/index.php?3071 - Implementation of Tollinger/Kay dispersion model (2001)
Following the guide at: http://wiki.nmr-relax.com/Tutorial_for_adding_relaxation_dispersion_models_to_relax

Troels E. Linnet provided this patch. Commit by: tlinnet aaattt gmail_dot_com

Signed-off-by: Edward d'Auvergne

(Browse SVN revision 20883)

Edward d Auvergne <bugman>
Project Administrator
Fri 06 Sep 2013 09:43:30 AM UTC, SVN revision 20882:

Added "CR72 full" test suite for kteilum_fmpoulsen_makke_cpmg_data.

Progress sr #3071: https://gna.org/support/index.php?3071 - Implementation of Tollinger/Kay dispersion model (2001)
Following the guide at: http://wiki.nmr-relax.com/Tutorial_for_adding_relaxation_dispersion_models_to_relax

Troels E. Linnet provided this patch. Commit by: tlinnet aaattt gmail_dot_com

Signed-off-by: Edward d'Auvergne

(Browse SVN revision 20882)

Edward d Auvergne <bugman>
Project Administrator
Fri 06 Sep 2013 09:43:29 AM UTC, SVN revision 20881:

Fixed values for system test: relax -s Relax_disp.test_kteilum_fmpoulsen_makke_cpmg_data_to_cr72 The test now passes. The values are compared to a relax run with 500 Monte Carlo simulations.

Progress sr #3071: https://gna.org/support/index.php?3071 - Implementation of Tollinger/Kay dispersion model (2001)
Following the guide at: http://wiki.nmr-relax.com/Tutorial_for_adding_relaxation_dispersion_models_to_relax

Troels E. Linnet provided this patch. Commit by: tlinnet aaattt gmail_dot_com

Signed-off-by: Edward d'Auvergne

(Browse SVN revision 20881)

Edward d Auvergne <bugman>
Project Administrator
Fri 06 Sep 2013 09:32:33 AM UTC, comment #40:

New patches which fixes the current test suite.

(file #18891)

Troels E. Linnet <tlinnet>
Project MemberIn charge of this item.
Fri 06 Sep 2013 08:26:42 AM UTC, SVN revision 20878:

Added the truncated test data for system test: relax -s Relax_disp.test_kteilum_fmpoulsen_makke_cpmg_data_to_cr72

Progress sr #3071: https://gna.org/support/index.php?3071 - Implementation of Tollinger/Kay dispersion model (2001)
Following the guide at: http://wiki.nmr-relax.com/Tutorial_for_adding_relaxation_dispersion_models_to_relax

Troels E. Linnet provided this patch. Commit by: tlinnet aaattt gmail_dot_com

Signed-off-by: Edward d'Auvergne

(Browse SVN revision 20878)

Edward d Auvergne <bugman>
Project Administrator
Fri 06 Sep 2013 08:26:41 AM UTC, SVN revision 20877:

Fixed typo.

Progress sr #3071: https://gna.org/support/index.php?3071 - Implementation of Tollinger/Kay dispersion model (2001)
Following the guide at: http://wiki.nmr-relax.com/Tutorial_for_adding_relaxation_dispersion_models_to_relax

Troels E. Linnet provided this patch. Commit by: tlinnet aaattt gmail_dot_com

Signed-off-by: Edward d'Auvergne

(Browse SVN revision 20877)

Edward d Auvergne <bugman>
Project Administrator
Fri 06 Sep 2013 08:26:40 AM UTC, SVN revision 20876:

Moved the experiment type setting into per spectra settings.

Progress sr #3071: https://gna.org/support/index.php?3071 - Implementation of Tollinger/Kay dispersion model (2001)
Following the guide at: http://wiki.nmr-relax.com/Tutorial_for_adding_relaxation_dispersion_models_to_relax

Troels E. Linnet provided this patch. Commit by: tlinnet aaattt gmail_dot_com

Signed-off-by: Edward d'Auvergne

(Browse SVN revision 20876)

Edward d Auvergne <bugman>
Project Administrator
Fri 06 Sep 2013 07:35:27 AM UTC, comment #36:

Changed the generating data scripts and added the truncated test data for the system test:
relax -s Relax_disp.test_kteilum_fmpoulsen_makke_cpmg_data_to_cr72

(file #18890)

Troels E. Linnet <tlinnet>
Project MemberIn charge of this item.
Wed 04 Sep 2013 01:54:38 PM UTC, SVN revision 20805:

Fix epydoc HTML markup code.

Progress sr #3071: https://gna.org/support/index.php?3071 - Implementation of Tollinger/Kay dispersion model (2001)
Following the guide at: http://wiki.nmr-relax.com/Tutorial_for_adding_relaxation_dispersion_models_to_relax

Troels E. Linnet provided this patch. Commit by: tlinnet aaattt gmail_dot_com

Signed-off-by: Edward d'Auvergne

(Browse SVN revision 20805)

Edward d Auvergne <bugman>
Project Administrator
Wed 04 Sep 2013 01:54:36 PM UTC, SVN revision 20804:

Fix trailing spaces.

Progress sr #3071: https://gna.org/support/index.php?3071 - Implementation of Tollinger/Kay dispersion model (2001)
Following the guide at: http://wiki.nmr-relax.com/Tutorial_for_adding_relaxation_dispersion_models_to_relax

Troels E. Linnet provided this patch. Commit by: tlinnet aaattt gmail_dot_com

Signed-off-by: Edward d'Auvergne

(Browse SVN revision 20804)

Edward d Auvergne <bugman>
Project Administrator
Wed 04 Sep 2013 01:47:16 PM UTC, comment #33:

More pathches.

(file #18869, file #18870)

Troels E. Linnet <tlinnet>
Project MemberIn charge of this item.
Wed 04 Sep 2013 01:27:20 PM UTC, SVN revision 20803:

Added the first system test for model CR72 for the kteilum_fmpoulsen_makke_cpmg_data.

Progress sr #3071: https://gna.org/support/index.php?3071 - Implementation of Tollinger/Kay dispersion model (2001)
Following the guide at: http://wiki.nmr-relax.com/Tutorial_for_adding_relaxation_dispersion_models_to_relax

Troels E. Linnet provided this patch. Commit by: tlinnet aaattt gmail_dot_com

Signed-off-by: Edward d'Auvergne

(Browse SVN revision 20803)

Edward d Auvergne <bugman>
Project Administrator
Wed 04 Sep 2013 01:26:24 PM UTC, SVN revision 20802:

Added script files for generating a saved state file with R2eff values.

Progress sr #3071: https://gna.org/support/index.php?3071 - Implementation of Tollinger/Kay dispersion model (2001)
Following the guide at: http://wiki.nmr-relax.com/Tutorial_for_adding_relaxation_dispersion_models_to_relax

Troels E. Linnet provided this patch. Commit by: tlinnet aaattt gmail_dot_com

Signed-off-by: Edward d'Auvergne

(Browse SVN revision 20802)

Edward d Auvergne <bugman>
Project Administrator
Wed 04 Sep 2013 01:23:41 PM UTC, SVN revision 20801:

Modified the script file for saving of a truncated base_pipe state file.

Progress sr #3071: https://gna.org/support/index.php?3071 - Implementation of Tollinger/Kay dispersion model (2001)
Following the guide at: http://wiki.nmr-relax.com/Tutorial_for_adding_relaxation_dispersion_models_to_relax

Troels E. Linnet provided this patch. Commit by: tlinnet aaattt gmail_dot_com

Signed-off-by: Edward d'Auvergne

(Browse SVN revision 20801)

Edward d Auvergne <bugman>
Project Administrator
Wed 04 Sep 2013 01:23:07 PM UTC, SVN revision 20800:

Truncated the dataset to only one residue L61. The truncated dataset will be expanded later.

Progress sr #3071: https://gna.org/support/index.php?3071 - Implementation of Tollinger/Kay dispersion model (2001)
Following the guide at: http://wiki.nmr-relax.com/Tutorial_for_adding_relaxation_dispersion_models_to_relax

Troels E. Linnet provided this patch. Commit by: tlinnet aaattt gmail_dot_com

Signed-off-by: Edward d'Auvergne

(Browse SVN revision 20800)

Edward d Auvergne <bugman>
Project Administrator
Wed 04 Sep 2013 01:20:09 PM UTC, comment #28:

Patches applied.

These setup the test system to run, but the correct matching values has not been determined yet.

The scripts
relax_1_ini_trunc.py
r2eff_calc_trunc.py

should be runned, and the state files added to the repository.

(file #18868)

Troels E. Linnet <tlinnet>
Project MemberIn charge of this item.
Wed 04 Sep 2013 11:57:21 AM UTC, comment #27:

Correction for
r2eff_calc.py

I had to delete the "base pipe"

Also new state file added

(file #18865, file #18866)

Troels E. Linnet <tlinnet>
Project MemberIn charge of this item.
Wed 04 Sep 2013 11:55:18 AM UTC, SVN revision 20797:

Added setup function for the system test of KTeilum_FMPoulsen_MAkke_2006 data.

Progress sr #3071: https://gna.org/support/index.php?3071 - Implementation of Tollinger/Kay dispersion model (2001)
Following the guide at: http://wiki.nmr-relax.com/Tutorial_for_adding_relaxation_dispersion_models_to_relax

Troels E. Linnet provided this patch. Commit by: tlinnet aaattt gmail_dot_com

Signed-off-by: Edward d'Auvergne

(Browse SVN revision 20797)

Edward d Auvergne <bugman>
Project Administrator
Wed 04 Sep 2013 11:23:39 AM UTC, comment #25:

Path added for adding to the test suite.

Two state files and r2eff_calc.py file should be added to:
test_suite/shared_data/dispersion/KTeilum_FMPoulsen_MAkke_2006

(file #18859, file #18860, file #18861, file #18862)

Troels E. Linnet <tlinnet>
Project MemberIn charge of this item.
Tue 03 Sep 2013 04:18:22 PM UTC, comment #24:

Data provided for system test.

Please unpack to:
test_suite/shared_data/dispersion/KTeilum_FMPoulsen_MAkke_2006

Several changes is expected to be made.

(file #18847)

Troels E. Linnet <tlinnet>
Project MemberIn charge of this item.
Tue 03 Sep 2013 03:07:38 PM UTC, SVN revision 20773:

Moved the ordering of the model TSMF. Ordering conventions mentioned in this post: http://article.gmane.org/gmane.science.nmr.relax.devel/4500

Progress sr #3071: https://gna.org/support/index.php?3071 - Implementation of Tollinger/Kay dispersion model (2001)
Following the guide at: http://wiki.nmr-relax.com/Tutorial_for_adding_relaxation_dispersion_models_to_relax

Troels E. Linnet provided this patch. Commit by: tlinnet aaattt gmail_dot_com

Signed-off-by: Edward d'Auvergne

(Browse SVN revision 20773)

Edward d Auvergne <bugman>
Project Administrator
Tue 03 Sep 2013 03:00:37 PM UTC, comment #22:

Patch added.

(file #18844)

Troels E. Linnet <tlinnet>
Project MemberIn charge of this item.
Tue 03 Sep 2013 03:00:02 PM UTC, comment #21:

Fixing the placement of model TSMF according to conventions.
See: http://thread.gmane.org/gmane.science.nmr.relax.devel

Troels E. Linnet <tlinnet>
Project MemberIn charge of this item.
Tue 03 Sep 2013 09:27:05 AM UTC, SVN revision 20767:

Fix for unpacking the parameters correctly.

Progress sr #3071: https://gna.org/support/index.php?3071 - Implementation of Tollinger/Kay dispersion model (2001)
Following the guide at: http://wiki.nmr-relax.com/Tutorial_for_adding_relaxation_dispersion_models_to_relax

Troels E. Linnet provided this patch. Commit by: tlinnet aaattt gmail_dot_com

Signed-off-by: Edward d'Auvergne

(Browse SVN revision 20767)

Edward d Auvergne <bugman>
Project Administrator
Tue 03 Sep 2013 09:27:04 AM UTC, SVN revision 20766:

Fix for r20 should be called r20a.

Progress sr #3071: https://gna.org/support/index.php?3071 - Implementation of Tollinger/Kay dispersion model (2001)
Following the guide at: http://wiki.nmr-relax.com/Tutorial_for_adding_relaxation_dispersion_models_to_relax

Troels E. Linnet provided this patch. Commit by: tlinnet aaattt gmail_dot_com

Signed-off-by: Edward d'Auvergne

(Browse SVN revision 20766)

Edward d Auvergne <bugman>
Project Administrator
Tue 03 Sep 2013 09:27:03 AM UTC, SVN revision 20765:

Renamed ka parameter to kA, to be consistent with naming conventions.

Progress sr #3071: https://gna.org/support/index.php?3071 - Implementation of Tollinger/Kay dispersion model (2001)
Following the guide at: http://wiki.nmr-relax.com/Tutorial_for_adding_relaxation_dispersion_models_to_relax

Troels E. Linnet provided this patch. Commit by: tlinnet aaattt gmail_dot_com

Signed-off-by: Edward d'Auvergne

(Browse SVN revision 20765)

Edward d Auvergne <bugman>
Project Administrator
Tue 03 Sep 2013 06:36:14 AM UTC, comment #17:

Renaming ka to kA, and fixing the extraction of parameters.

(file #18838)

Troels E. Linnet <tlinnet>
Project MemberIn charge of this item.
Mon 02 Sep 2013 01:23:17 PM UTC, comment #16:

Help to figure out indexing of parameters in target function.

Hi Edward.
I am a little confused how to figure out how the indexing of parameters is working.

I have added a saved state file.

And to trigger the problem:
relax 2_fit_TSMFK01.py

------ 2_fit_TSMFK01.py --------
import os
set_cwd = os.getcwd()

state.load(state='ini_setup_TSMFK01', dir=None, force=False)

#- The 'TSMFK01' model -
set_dir = os.path.join(set_cwd, 'TSMFK01')

pipe.copy(pipe_from='base pipe', pipe_to='TSMFK01', bundle_to='relax_disp')
pipe.switch(pipe_name='TSMFK01')
relax_disp.select_model(model='TSMFK01')
value.copy(pipe_from='R2eff', pipe_to='TSMFK01', param='r2eff')
grid_search(lower=None, upper=None, inc=21, constraints=True, verbosity=1)
-------------------

File "C:\WinPython27\relax\relax_disp\target_functions\relax_disp.py", line 1059, in func_TSMFK01
dw = params[self.end_index[1]:self.end_index[2]]
IndexError: list index out of range

(file #18830, file #18831)

Troels E. Linnet <tlinnet>
Project MemberIn charge of this item.
Mon 02 Sep 2013 01:16:41 PM UTC, comment #15:

Renamed kA parameter to ka, to keep to already established parameter naming in relax.

Patch applied.

(file #18829)

Troels E. Linnet <tlinnet>
Project MemberIn charge of this item.
Mon 26 Aug 2013 02:58:16 PM UTC, comment #14:

If the file is bigger than 100 kB, then it will generally not be placed in the relax test suite data directories. There are exceptions if no other options are available. But in this case the FID data is not needed, just the original peak lists containing the peak intensity data. If the reading of sequence data from peak lists is implemented in the relax trunk, then the peak lists will be the only data needed.

Edward d Auvergne <bugman>
Project Administrator
Mon 26 Aug 2013 02:40:15 PM UTC, comment #13:

Adding test-data for the Tolling/Kay model.

My supervisor Kaare Teilum has agreed to permit the recorded data available from the paper:

The inverted chevron plot measured by NMR relaxation reveals a native-like unfolding intermediate in acyl-CoA binding protein.

Kaare Teilum, Flemming M Poulsen, Mikael Akke.

Proceedings of the National Academy of Sciences of the United States of America (2006).
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC1458987/figure/F1/

I have prepared a text file with explanations of how to extract the data and prepare for relax and a directory with small scripts for helping with this.

Should the data be provided on raw "fid" level, or just the measured intensity files?
The raw "fid" is 17 mB.

Troels E. Linnet <tlinnet>
Project MemberIn charge of this item.
Tue 20 Aug 2013 09:15:39 PM UTC, SVN revision 20654:

Added support for the TSMFK01 model to the relax_disp.select_model user function back end.

Progress sr #3071: https://gna.org/support/index.php?3071 - Implementation of Tollinger/Kay dispersion model (2001)
Following the guide at: http://wiki.nmr-relax.com/Tutorial_for_adding_relaxation_dispersion_models_to_relax

Troels E. Linnet provided this patch. Commit by: tlinnet aaattt gmail_dot_com

Signed-off-by: Edward d'Auvergne

(Browse SVN revision 20654)

Edward d Auvergne <bugman>
Project Administrator
Tue 20 Aug 2013 09:15:38 PM UTC, SVN revision 20653:

Fix for converting dw from ppm to rad/s.

Progress sr #3071: https://gna.org/support/index.php?3071 - Implementation of Tollinger/Kay dispersion model (2001)
Following the guide at: http://wiki.nmr-relax.com/Tutorial_for_adding_relaxation_dispersion_models_to_relax

Troels E. Linnet provided this patch. Commit by: tlinnet aaattt gmail_dot_com

Signed-off-by: Edward d'Auvergne

(Browse SVN revision 20653)

Edward d Auvergne <bugman>
Project Administrator
Tue 20 Aug 2013 09:14:36 PM UTC, SVN revision 20652:

Copyright of Sebastien Morin and Edward d'Auvergne re-inserted, since tsmfk01 is an alteration of lm63.py and m61.py in same directory.

Progress sr #3071: https://gna.org/support/index.php?3071 - Implementation of Tollinger/Kay dispersion model (2001)
Following the guide at: http://wiki.nmr-relax.com/Tutorial_for_adding_relaxation_dispersion_models_to_relax

Troels E. Linnet provided this patch. Commit by: tlinnet aaattt gmail_dot_com

Signed-off-by: Edward d'Auvergne

(Browse SVN revision 20652)

Edward d Auvergne <bugman>
Project Administrator
Tue 20 Aug 2013 07:28:58 PM UTC, comment #9:

2 Fixes and patch for step 6) The relax_disp.select_model back end. in http://wiki.nmr-relax.com/Tutorial_for_adding_relaxation_dispersion_models_to_relax.

Step 5 has been skipped, since kA has been used instead of kex.

Should kA be rewritten to kex?

(file #18722)

Troels E. Linnet <tlinnet>
Project MemberIn charge of this item.
Sun 18 Aug 2013 06:23:22 PM UTC, SVN revision 20632:

Added the TSMFK01 model equations to the relax library: lib/dispersion/tsmfk01.py

Progress sr #3071: https://gna.org/support/index.php?3071 - Implementation of Tollinger/Kay dispersion model (2001)
Following the guide at: http://wiki.nmr-relax.com/Tutorial_for_adding_relaxation_dispersion_models_to_relax

Troels E. Linnet provided this patch. Commit by: tlinnet aaattt gmail_dot_com

Signed-off-by: Edward d'Auvergne

(Browse SVN revision 20632)

Edward d Auvergne <bugman>
Project Administrator
Sun 18 Aug 2013 06:23:13 PM UTC, SVN revision 20631:

Created the TSMFK01 model target function for 2-site very-slow exchange model, range of microsecond to second time scale.

Progress sr #3071: https://gna.org/support/index.php?3071 - Implementation of Tollinger/Kay dispersion model (2001)
Following the guide at: http://wiki.nmr-relax.com/Tutorial_for_adding_relaxation_dispersion_models_to_relax

Troels E. Linnet provided this patch. Commit by: tlinnet aaattt gmail_dot_com

The function is probably not correct, since there is some problems with using the end_index
to handle the unpacking of the parameters.

Signed-off-by: Edward d'Auvergne

(Browse SVN revision 20631)

Edward d Auvergne <bugman>
Project Administrator
Sun 18 Aug 2013 06:22:47 PM UTC, SVN revision 20630:

Added the TSMFK01 model to the user_functions/relax_disp.py select_model user function frontend.

Progress sr #3071: https://gna.org/support/index.php?3071 - Implementation of Tollinger/Kay dispersion model (2001)
Following the guide at: http://wiki.nmr-relax.com/Tutorial_for_adding_relaxation_dispersion_models_to_relax

Troels E. Linnet provided this patch. Commit by: tlinnet aaattt gmail_dot_com

Signed-off-by: Edward d'Auvergne

(Browse SVN revision 20630)

Edward d Auvergne <bugman>
Project Administrator
Sun 18 Aug 2013 06:08:09 PM UTC, comment #5:

Patches added according to revisions.

(file #18699)

Troels E. Linnet <tlinnet>
Project MemberIn charge of this item.
Sun 18 Aug 2013 04:15:18 PM UTC, SVN revision 20629:

lib/dispersion/lm63.py is copied to tsmfk01.py as part of the implementation of the TSMFK01 model equation.

Progress sr #3071: https://gna.org/support/index.php?3071 -
Implementation of Tollinger/Kay dispersion model (2001)
Following the guide at:
http://wiki.nmr-relax.com/Tutorial_for_adding_relaxation_dispersion_models_to_relax

Troels E. Linnet provided this patch. Commit by: tlinnet aaattt gmail_dot_com

(Browse SVN revision 20629)

Edward d Auvergne <bugman>
Project Administrator
Sun 18 Aug 2013 02:01:43 PM UTC, SVN revision 20628:

Added the new 'TSMFK01' model to the specific_analyses\relax_disp\variables.py module.

This is the Tollinger/Kay model for the 2-site very-slow exchange model for CPMG-type experiments, which cover the range of microsecond to second time scale.
Paper by M. Tollinger, N.R. Skrynnikov, F.A.A. Mulder, J.D.F. Kay and L.E. Kay (2001).

Progress sr #3071: https://gna.org/support/index.php?3071 - Implementation of Tollinger/Kay dispersion model (2001)
Following the guide at: http://wiki.nmr-relax.com/Tutorial_for_adding_relaxation_dispersion_models_to_relax

Troels E. Linnet provided this patch. Commit by: tlinnet aaattt gmail_dot_com

Signed-off-by: Edward d'Auvergne

(Browse SVN revision 20628)

Edward d Auvergne <bugman>
Project Administrator
Sat 17 Aug 2013 07:47:59 PM UTC, comment #2:

Step 1-4 for the implementation of Tollinger/Kay dispersion model (2001).

Following the guide at:
http://wiki.nmr-relax.com/Tutorial_for_adding_relaxation_dispersion_models_to_relax

Until comments on pathches, the following pathces will concern the documentaion in:
docs/latex
bibliography.bib
dispersion.tex

(file #18695)

Troels E. Linnet <tlinnet>
Project MemberIn charge of this item.
Sat 17 Aug 2013 01:03:17 PM UTC, comment #1:

Following the conventions used for differentiating
the analytic models, the acronym for this model should be TSMFK01.

Troels E. Linnet <tlinnet>
Project MemberIn charge of this item.
Sat 17 Aug 2013 12:19:06 PM UTC, original submission:

The model of the Tollinger/Kay dispersion model from 2001 is wished as part of the relax disp branch.

References:
Slow Dynamics in Folded and Unfolded States of an SH3 Domain.

Martin Tollinger , Nikolai R. Skrynnikov , Frans A. A. Mulder , Julie D. Forman-Kay ,and Lewis E. Kay.
J. Am. Chem. Soc., 2001, 123 (46)
http://pubs.acs.org/doi/abs/10.1021/ja011300z

The inverted chevron plot measured by NMR relaxation reveals a native-like unfolding intermediate in acyl-CoA binding protein.

Kaare Teilum, Flemming M Poulsen, Mikael Akke.
Proceedings of the National Academy of Sciences of the United States of America (2006).
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC1458987/figure/F1/

The model to minimize would be:
model = R2+ka*(1.0-sin(Domega*tau_cpmg)/(Domega*tau_cpmg))

Troels E. Linnet <tlinnet>
Project MemberIn charge of this item.

 

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

Attach File(s):
   
   
Comment:
   

Attached Files
file #19006:  man2.patch.tar.gz added by tlinnet (4kB - application/gzip)
file #18974:  Tollinger_manual.patch.tar.gz added by tlinnet (18kB - application/gzip)
file #18965:  bug_fix.patch.tar.gz added by tlinnet (3kB - application/gzip)
file #18956:  fix.patch.tar.gz added by tlinnet (4kB - application/x-gzip)
file #18955:  write_out_patches.patch.tar.gz added by tlinnet (5kB - application/x-gzip)
file #18942:  101MGuaHCl_dataset.patch.tar.gz added by tlinnet (154kB - application/x-gzip)
file #18899:  0001-Added-k_AB-to-parameters.patch added by tlinnet (3kB - application/octet-stream)
file #18895:  fix.patch.tar.gz added by tlinnet (3kB - application/gzip)
file #18891:  fix.patch.tar.gz added by tlinnet (16kB - application/gzip)
file #18890:  trunc_data.patch.tar.gz added by tlinnet (9kB - application/gzip)
file #18868:  fix.patch.tar.gz added by tlinnet (9kB - application/x-gzip)
file #18865:  r2eff_values.bz2 added by tlinnet (69kB - application/x-bzip)
file #18866:  r2eff_calc.py added by tlinnet (757B - text/x-python)
file #18860:  r2eff_values.bz2 added by tlinnet (85kB - application/x-bzip)
file #18861:  ini_setup.bz2 added by tlinnet (24kB - application/x-bzip)
file #18862:  r2eff_calc.py added by tlinnet (679B - text/x-python)
file #18847:  KTeilum_FMPoulsen_MAkke_2006.tar.gz added by tlinnet (10kB - application/x-gzip)
file #18838:  fix.patch.tar.gz added by tlinnet (2kB - application/gzip)
file #18830:  ini_setup_TSMFK01.bz2 added by tlinnet (158kB - application/octet-stream)
file #18831:  2_fit_TSMFK01.py added by tlinnet (684B - text/plain)
file #18722:  TK2.patch.tar.gz added by tlinnet (2kB - application/gzip)
file #18699:  TK2.patch.tar.gz added by tlinnet (4kB - application/gzip)
file #18695:  TK.patch.tar.gz added by tlinnet (5kB - application/gzip)

 

Depends on the following items: None found

Items that depend on this one: None found

 

Carbon-Copy List
  • -unavailable- added by bugman (Posted a comment)
  • -unavailable- added by tlinnet (Submitted the item)
  •  

    Do you think this task is very important?
    If so, you can click here to add your encouragement to it.
    This task has 0 encouragements so far.

    Only logged-in users can vote.

     

    Please enter the title of George Orwell's famous dystopian book (it's a date):

     

     

    Follow 25 latest changes.

    Date Changed By Updated Field Previous Value => Replaced By
    Mon 09 Dec 2013 01:07:39 PM UTCbugmanStatusIn Progress=>Done
      Assigned toNone=>tlinnet
    Fri 29 Nov 2013 05:10:54 PM UTCtlinnetOpen/ClosedOpen=>Closed
    Sun 15 Sep 2013 03:36:07 PM UTCtlinnetAttached File-=>Added man2.patch.tar.gz, #19006
    Thu 12 Sep 2013 06:00:57 AM UTCtlinnetAttached File-=>Added Tollinger_manual.patch.tar.gz, #18974
    Wed 11 Sep 2013 11:03:50 AM UTCtlinnetAttached File-=>Added 0001-Modified-headers-for-scripts-producing-analysis-for-.patch, #18966
    Wed 11 Sep 2013 10:47:06 AM UTCtlinnetAttached File-=>Added bug_fix.patch.tar.gz, #18965
    Tue 10 Sep 2013 12:35:12 PM UTCtlinnetAttached File-=>Added fix.patch.tar.gz, #18956
    Tue 10 Sep 2013 10:29:54 AM UTCtlinnetAttached File-=>Added write_out_patches.patch.tar.gz, #18955
    Tue 10 Sep 2013 06:43:10 AM UTCbugmanStatusNone=>In Progress
    Mon 09 Sep 2013 08:07:42 PM UTCtlinnetAttached File-=>Added 0001-Changed-reference-to-Tollinger-et-al.-instead-of-Tol.patch, #18948
      Attached File-=>Added 0002-Optimized-the-target-function-for-model-TSMFK.patch, #18949
    Mon 09 Sep 2013 07:29:40 PM UTCtlinnetAttached File-=>Added 0001-Changed-reference-to-Tollinger-et-al.-instead-of-Tol.patch, #18945
      Attached File-=>Added 0002-Optimized-the-target-function-for-model-TSMFK.patch, #18946
    Mon 09 Sep 2013 03:17:19 PM UTCtlinnetAttached File-=>Added 101MGuaHCl_dataset.patch.tar.gz, #18942
    Fri 06 Sep 2013 03:01:46 PM UTCtlinnetAttached File-=>Added 0002-Turned-of-the-value-test-in-systemtest-of-model-tsmf.patch, #18900
    Fri 06 Sep 2013 03:01:45 PM UTCtlinnetAttached File-=>Added 0001-Added-k_AB-to-parameters.patch, #18899
    Fri 06 Sep 2013 01:16:18 PM UTCtlinnetAttached File-=>Added 0001-Converted-references-of-ka-and-kA-to-k_AB.patch, #18896
    Fri 06 Sep 2013 12:36:52 PM UTCtlinnetAttached File-=>Added fix.patch.tar.gz, #18895
    Fri 06 Sep 2013 11:43:18 AM UTCtlinnetAttached File-=>Added 0001-Started-a-system-test-for-model-TSMFK01.patch, #18892
      Attached File-=>Added 0002-Modified-the-script-for-the-full-analysis-of-all-mod.patch, #18893
    Fri 06 Sep 2013 09:32:33 AM UTCtlinnetAttached File-=>Added fix.patch.tar.gz, #18891
    Fri 06 Sep 2013 07:35:27 AM UTCtlinnetAttached File-=>Added trunc_data.patch.tar.gz, #18890
    Wed 04 Sep 2013 01:47:16 PM UTCtlinnetAttached File-=>Added 0001-Fix-trailing-spaces.patch, #18869
      Attached File-=>Added 0002-Fix-epydoc-HTML-markup-code.patch, #18870
    Show feedback again

    Back to the top


    Powered by Savane 3.1-cleanup