[sr #3135] Optimisation of the R1 relaxation rate for the off-resonance R1rho relaxation dispersion models.

URL: Summary: Optimisation of the R1 relaxation rate for the off-resonance R1rho relaxation dispersion models. Project: relax Submitted by: tlinnet Submitted on: Thu 13 Mar 2014 12:33:54 PM UTC

[bug #21788] Only Warning is raised for missing loading R1 relaxation rate for the off-resonance R1rho relaxation dispersion models.

URL: Summary: Only Warning is raised for missing loading R1 relaxation rate for the off-resonance R1rho relaxation dispersion models. Project: relax Submitted by: tlinnet Submitted on: Thu 13 Mar 2014 12:38:58

[sr #3124] Grace graphs production for R1rho analysis with R2_eff as function of Omega_eff

Follow-up Comment #30, sr #3124 (project relax): Graphs produced with: http://wiki.nmr-relax.com/Matplotlib_disp_spin.out The attached grapsh: disp_52_N_withR1.png matplotlib_disp_52_N.png matplotlib_disp_theta_52_N.png matplotlib_disp_w_eff_52_N.png shows that the shape of the graphs is not of

[sr #3124] Grace graphs production for R1rho analysis with R2_eff as function of Omega_eff

Follow-up Comment #32, sr #3124 (project relax): Correct graphs of "on-resonance R1rho value with exchange" as function "Effective field in rotating frame" finally produced manually with python matplotlib and accessing the relax data store. The graph is attached as: matplotlib__52_N_R1rho_R2eff_w

[sr #3124] Grace graphs production for R1rho analysis with R2_eff as function of Omega_eff

Follow-up Comment #33, sr #3124 (project relax): On a similar note, the wish for the 6 "bell-curves" was not produced. This was discussed in thread: http://thread.gmane.org/gmane.science.nmr.relax.devel/5158 Neither the file: file #20312: matplotlib_disp_theta_52_N.png or the attached file: ma

[sr #3124] Grace graphs production for R1rho analysis with R2_eff as function of Omega_eff

Follow-up Comment #34, sr #3124 (project relax): The theta calculation in relax is: # Calculate the tilt angle. omega1 = point * 2.0 * pi Delta_omega = shifts[ei][si][mi] - offsets[ei][si][mi][oi] Domega[ei][si][mi][oi].append(Delta_omega) if Delta_omega == 0.0: theta[ei][si][mi][oi].append(p

[bug #21799] Insufficient recommendations/Warning message for the execution of dauvergne protocol with 1 field is incomplete

URL: Summary: Insufficient recommendations/Warning message for the execution of dauvergne protocol with 1 field is incomplete Project: relax Submitted by: tlinnet Submitted on: Sat 15 Mar 2014 01:41:39 PM UTC

[sr #3124] Grace graphs production for R1rho analysis with R2_eff as function of Omega_eff

Follow-up Comment #41, sr #3124 (project relax): For a valuable discussion of parameter name of "R2_eff" please see: http://thread.gmane.org/gmane.science.nmr.relax.devel/5207 This calculation has been called either "R_2" or "R_eff" in the articles. A write up relax could be: "The effective tran

[sr #3124] Grace graphs production for R1rho analysis with R2_eff as function of Omega_eff

Update of sr #3124 (project relax): Priority: 5 - Normal => 3 - Low Status: In Progress => Postponed ___ Follow-up Comment #42: This support request h

[bug #21813] file recognition

Follow-up Comment #1, bug #21813 (project relax): This looks fine for me. I created resi.ods to make a spin file resi.py I get successful outcome if I do: 1) Start relax gui 2) New analysis 3) Select model-free 4) Create pipes with "Start" #To create the molecule 5) User functions -> script "re

[bug #21813] file recognition

Follow-up Comment #3, bug #21813 (project relax): A blast pdb search for: MLITKIVGHIDDYESSDKKVDWLEVEWEDLNKRILRKETENGTDIAIKLENSGTLRYGDVLYESDDTLIAIRTKLEKVYVIKPQTMQEMGKMAFEIGNRHTMCIIEDDEILVRYDKTLEKLIDEVGVSYEQSERRFKEPFKYRGHQH Gave: Chain A, Crystal Structure Of Bacillus Pasteurii Uree At 1.7 A. Type

[bug #21813] File recognition - identification of the relaxation data type when reading Bruker DC files.

Update of bug #21813 (project relax): Status: Need Info => Invalid Open/Closed:Open => Closed ___ Follow-up Comment #6: This bug is closed, a

[bug #21788] Only Warning is raised for missing loading R1 relaxation rate for the off-resonance R1rho relaxation dispersion models.

Follow-up Comment #1, bug #21788 (project relax): This should take care, that M61 model does not need the reading for R1. ___ Reply to this item at: ___ Message

[sr #3138] Interpolating theta through spin-lock offset [Omega], rather than spin-lock field strength [w1]

URL: Summary: Interpolating theta through spin-lock offset [Omega], rather than spin-lock field strength [w1] Project: relax Submitted by: tlinnet Submitted on: Fri 21 Mar 2014 10:57:24 AM UTC

[bug #21862] Programme freezes up when using the dipolar relaxation buttion in the model-free auto-analysis in the GUI.

Follow-up Comment #1, bug #21862 (project relax): Script provided reproduce the setup. Note, the Error column is missing for the data, so an artificial value of 1.0 is set. I can confirm the interatom.define(spin_id1='@N*', spin_id2='@H*', direct_bond=True, pipe=None) takes a very long time.

[sr #3124] Grace graphs production for R1rho analysis with R2_eff as function of Omega_eff

Follow-up Comment #44, sr #3124 (project relax): The proper graphs will only produced if Interpolating theta through spin-lock offset [Omega], rather than spin-lock field strength [w1]. This has been requested in: https://gna.org/support/?3138

[bug #21953] Weird performance of grid search

URL: Summary: Weird performance of grid search Project: relax Submitted by: tlinnet Submitted on: Tue 22 Apr 2014 11:41:51 AM UTC Category: relax's source code Specific analysis category: Relax

[bug #21954] Order of spectrum.error_analysis is important.

URL: Summary: Order of spectrum.error_analysis is important. Project: relax Submitted by: tlinnet Submitted on: Tue 22 Apr 2014 04:57:11 PM UTC Category: relax's source code Specific analysis c

[bug #21954] Order of spectrum.error_analysis is important.

Update of bug #21954 (project relax): Priority: 5 - Normal => 9 - Immediate Severity: 3 - Normal => 4 - Important Status:None => Fixed Open/Closed:

[bug #21953] Weird performance of grid search

Update of bug #21953 (project relax): Priority: 5 - Normal => 7 - High Severity: 3 - Normal => 4 - Important Status:None => Fixed Open/Closed:

[bug #21960] systemtest Relax_disp.test_hansen_cpmg_data_missing_auto_analysis highly unstable

URL: Summary: systemtest Relax_disp.test_hansen_cpmg_data_missing_auto_analysis highly unstable Project: relax Submitted by: tlinnet Submitted on: Wed 23 Apr 2014 10:33:17 AM UTC Category: rela

[sr #3127] Opposite S2 values to expected

Update of sr #3127 (project relax): Open/Closed:Open => Closed ___ Follow-up Comment #3: This support request is closed. See http://thread.gmane.org/gmane.science.nmr.relax.devel/5140

[sr #3151] User function to set the R20 parameters in the default grid search using the minimum R2eff value

URL: Summary: User function to set the R20 parameters in the default grid search using the minimum R2eff value Project: relax Submitted by: tlinnet Submitted on: Fri 25 Apr 2014 09:37:39 AM UTC

[sr #3151] User function to set the R20 parameters in the default grid search using the minimum R2eff value

Follow-up Comment #1, sr #3151 (project relax): This is now implemented. The question is, if this button should be activated by default? ___ Reply to this item at:

[bug #21984] Numpy float16 - relax -s Frame_order.test_generate_rotor2_distribution

URL: Summary: Numpy float16 - relax -s Frame_order.test_generate_rotor2_distribution Project: relax Submitted by: tlinnet Submitted on: Mon 28 Apr 2014 02:39:42 PM UTC Category: relax's source

[sr #3151] User function to set the R20 parameters in the default grid search using the minimum R2eff value

Update of sr #3151 (project relax): Status: In Progress => Done Open/Closed:Open => Closed ___ Reply to this item at:

[bug #21989] relax_disp.cpmgfit_input does not work for model CR72.

URL: Summary: relax_disp.cpmgfit_input does not work for model CR72. Project: relax Submitted by: tlinnet Submitted on: Tue 29 Apr 2014 09:34:17 AM UTC Category: None Specific analysis category

[bug #21989] relax_disp.cpmgfit_input does not work for model CR72.

Update of bug #21989 (project relax): Status:None => Fixed Open/Closed:Open => Closed ___ Follow-up Comment #3: This bug is now close

[sr #3154] Implementation of Baldwin (2014) B14 model - 2-site exact solution model for all time scales

URL: Summary: Implementation of Baldwin (2014) B14 model - 2-site exact solution model for all time scales Project: relax Submitted by: tlinnet Submitted on: Tue 29 Apr 2014 10:25:52 PM UTC C

[sr #3154] Implementation of Baldwin (2014) B14 model - 2-site exact solution model for all time scales

Follow-up Comment #1, sr #3154 (project relax): An initial wiki page has been created here: http://wiki.nmr-relax.com/B14 The displayed math needs to be double checked with the provided code, and the difference between equation 50 and Appendix 1 – recipe for exact calculation of R2,eff A in the

[sr #3154] Implementation of Baldwin (2014) B14 model - 2-site exact solution model for all time scales

Follow-up Comment #2, sr #3154 (project relax): Here is the attached code, which forms the basis. (file #20615) ___ Additional Item Attachment: File name: Baldwin.py Size:3 KB _

[sr #3155] An R1rho expression for a spin in chemical exchange between two sites with unequal transverse relaxation rates

URL: Summary: An R1rho expression for a spin in chemical exchange between two sites with unequal transverse relaxation rates Project: relax Submitted by: tlinnet Submitted on: Tue 29 Apr 2014 10:59:47 PM UTC

[bug #21994] relax_disp.parameter_copy not doing a proper median of values.

URL: Summary: relax_disp.parameter_copy not doing a proper median of values. Project: relax Submitted by: tlinnet Submitted on: Wed 30 Apr 2014 09:02:03 AM UTC Category: None Specific analysis

[bug #21994] relax_disp.parameter_copy not doing a proper median of values.

Update of bug #21994 (project relax): Status:None => Fixed Open/Closed:Open => Closed ___ Follow-up Comment #1: The was fixed in this

[bug #21994] relax_disp.parameter_copy not doing a proper median of values.

Update of bug #21994 (project relax): Specific analysis category:None => Relaxation dispersion ___ Reply to this item at: ___ Message sent

[bug #21995] Creating sherekhan input files, with data for several fields and different time_T2

URL: Summary: Creating sherekhan input files, with data for several fields and different time_T2 Project: relax Submitted by: tlinnet Submitted on: Wed 30 Apr 2014 09:17:21 AM UTC Category: Non

[bug #21995] Creating sherekhan input files, with data for several fields and different time_T2

Update of bug #21995 (project relax): Status:None => Fixed Assigned to:None => tlinnet Open/Closed:Open => Closed

[sr #3155] An R1rho expression for a spin in chemical exchange between two sites with unequal transverse relaxation rates

Follow-up Comment #1, sr #3155 (project relax): This is discussed in: http://thread.gmane.org/gmane.science.nmr.relax.devel/5414 ___ Reply to this item at: ___

[sr #3154] Implementation of Baldwin (2014) B14 model - 2-site exact solution model for all time scales

Follow-up Comment #3, sr #3154 (project relax): This is discussed in http://thread.gmane.org/gmane.science.nmr.relax.devel/5410 ___ Reply to this item at: ___

[bug #22001] The execution of script changes current working directory

URL: Summary: The execution of script changes current working directory Project: relax Submitted by: tlinnet Submitted on: Thu 01 May 2014 09:46:51 AM UTC Category: None Specific analysis categ

[bug #22002] relax verification test fail

URL: Summary: relax verification test fail Project: relax Submitted by: tlinnet Submitted on: Thu 01 May 2014 11:48:13 AM UTC Category: relax's source code Specific analysis category: None

[sr #3154] Implementation of Baldwin (2014) B14 model - 2-site exact solution model for all time scales

Follow-up Comment #15, sr #3154 (project relax): Further comments: The Carver and Richards code in relax is fast enough, though Troels might have an interest in squeezing out a little more speed. Though it would require different value checking to avoid NaNs, divide by zeros, trig funct

[sr #3155] An R1rho expression for a spin in chemical exchange between two sites with unequal transverse relaxation rates

Follow-up Comment #2, sr #3155 (project relax): More comments ### Hi Andy, Do you have code for this R1rho model? It may help to have the code, either to use it directly or for comparison and test suite purposes. In relax, the implementation is in Python. # Here some very uno

[sr #3155] An R1rho expression for a spin in chemical exchange between two sites with unequal transverse relaxation rates

Follow-up Comment #3, sr #3155 (project relax): Code attached. (file #20621) ___ Additional Item Attachment: File name: r1rho_for_Edward.pySize:3 KB ___ Reply to this i

[sr #3154] Implementation of Baldwin (2014) B14 model - 2-site exact solution model for all time scales

Follow-up Comment #16, sr #3154 (project relax): supp from my CPMG formula paper (attached) ___ Reply to this item at: ___ Message sent via/by Gna! http://gn

[bug #22002] relax verification test fail

Follow-up Comment #1, bug #22002 (project relax): Logs attached (file #20625, file #20626) ___ Additional Item Attachment: File name: verification-test.log Size:1 KB File name: relax_i.txtSize:6 KB __

[bug #22004] Sample script not working

URL: Summary: Sample script not working Project: relax Submitted by: tlinnet Submitted on: Fri 02 May 2014 10:26:04 AM UTC Category: None Specific analysis category: None Prior

[bug #22008] Interpolation with relax.plot_disp_curves, creates un-even number of CPMG blocks.

URL: Summary: Interpolation with relax.plot_disp_curves, creates un-even number of CPMG blocks. Project: relax Submitted by: tlinnet Submitted on: Sat 03 May 2014 05:57:50 PM UTC Category: None

[sr #3154] Implementation of Baldwin (2014) B14 model - 2-site exact solution model for all time scales

Follow-up Comment #30, sr #3154 (project relax): This model is now implemented and functional. It can be tested with: relax -s Relax_disp.test_baldwin_synthetic -d http://svn.gna.org/viewcvs/*checkout*/relax/trunk/lib/dispersion/b14.py?revision=HEAD _

[bug #22008] Interpolation with relax.plot_disp_curves, creates un-even number of CPMG blocks.

Update of bug #22008 (project relax): Status:None => Fixed Assigned to:None => tlinnet Open/Closed:Open => Closed ___

[bug #22010] relax_disp.parameter_copy return a list of pA, if copying only for one spin.

URL: Summary: relax_disp.parameter_copy return a list of pA, if copying only for one spin. Project: relax Submitted by: tlinnet Submitted on: Sun 04 May 2014 12:02:33 PM UTC Category: relax's s

[bug #22010] relax_disp.parameter_copy return a list of pA, if copying only for one spin.

Update of bug #22010 (project relax): Status:None => Fixed Open/Closed:Open => Closed ___ Reply to this item at:

[bug #22012] dx.map not implemented for pipe type relax_disp

URL: Summary: dx.map not implemented for pipe type relax_disp Project: relax Submitted by: tlinnet Submitted on: Sun 04 May 2014 08:43:55 PM UTC Category: relax's source code Specific analysis

[bug #22012] dx.map not implemented for pipe type relax_disp

Follow-up Comment #1, bug #22012 (project relax): With debugging dx.map(params=['dw', 'pA', 'kex'], map_type='Iso3D', spin_id=':1@N', inc=20, lower=None, upper=None, axis_incs=5, file_prefix='map', dir=None, point=None, point_file='point', remap=None) debug> Execution lock: Release by 'script U

[sr #3154] Implementation of Baldwin (2014) B14 model - 2-site exact solution model for all time scales

Follow-up Comment #35, sr #3154 (project relax): Comments by Andrew. Hi Troels, Awesome work! It's looking great. For completing the B14 model support (http://wiki.nmr-relax.com/B14), I have a few hints. But first, to fully have the model supported in relax requires a few mor

[sr #3154] Implementation of Baldwin (2014) B14 model - 2-site exact solution model for all time scales

Follow-up Comment #36, sr #3154 (project relax): This was the comment # Dear Troels, The existence of typos is exceedingly probable! The editors have added more errors in the transcrpition, so it'll be curious to see how accurate the final draft will be. Your comments come just in time fo

[bug #22012] dx.map not implemented for pipe type relax_disp

Follow-up Comment #3, bug #22012 (project relax): dx.map(params=['dw', 'pA', 'kex'], map_type='Iso3D', spin_id=':1@N', inc=20, lower=None, upper=None, axis_incs=5, file_prefix='map', dir=None, point=None, point_file='point', remap=None) Creating the OpenDX .net program file. Opening the file 'map

[bug #22012] dx.map not implemented for pipe type relax_disp

Follow-up Comment #4, bug #22012 (project relax): Hi Edward. Can you run this map? I bought OpenDX (25$) from http://vizsolutions.com/. And new I have these 4 files. But the program is maybe the ugliest in the World! And I don't know how get a image? Can you run this? (file #20637, file #20

[sr #3154] Implementation of Baldwin (2014) B14 model - 2-site exact solution model for all time scales

Follow-up Comment #37, sr #3154 (project relax): Added Troels Modified code (file #20642) ___ Additional Item Attachment: File name: compareTroells_w_Troels_mod.py Size:19 KB ___ R

[sr #3154] Implementation of Baldwin (2014) B14 model - 2-site exact solution model for all time scales

Follow-up Comment #68, sr #3154 (project relax): Code optimisation suggestions: If you are interested, there are a tonne of other code optimisations which can be performed. For example k_AB and k_BA are calculated in lib.dispersion.cr72. But this can happen at the start of the target function o

[sr #3154] Implementation of Baldwin (2014) B14 model - 2-site exact solution model for all time scales

Follow-up Comment #69, sr #3154 (project relax): Adding the change log, which made the conversion from parameters being the "negative" of the CR72 conventions, to the right conventions of CR72. It commits between: 22961 -> 22975 22961 http://svn.gna.org/viewcvs/relax/trunk/lib/dispersion/b14.py

[sr #3154] Implementation of Baldwin (2014) B14 model - 2-site exact solution model for all time scales

Follow-up Comment #75, sr #3154 (project relax): 26 commits as backup! (file #20662) ___ Additional Item Attachment: File name: baldwin.zipSize:43 KB ___ Reply

[bug #22012] dx.map not implemented for pipe type relax_disp

Update of bug #22012 (project relax): Status:None => Fixed Assigned to:None => bugman Open/Closed:Open => Closed

[bug #21799] Insufficient recommendations/Warning message for the execution of dauvergne protocol with 1 field is incomplete

Follow-up Comment #1, bug #21799 (project relax): This was discussed in: http://thread.gmane.org/gmane.science.nmr.relax.devel/5224 ___ Reply to this item at: ___

[bug #22017] LinAlgError, for all numerical CPMG models.

URL: Summary: LinAlgError, for all numerical CPMG models. Project: relax Submitted by: tlinnet Submitted on: Wed 07 May 2014 03:07:49 PM UTC Category: relax's source code Specific analysis cate

[bug #22018] Model B14 creates ugly graphs ! Sig saw all over the place.

URL: Summary: Model B14 creates ugly graphs ! Sig saw all over the place. Project: relax Submitted by: tlinnet Submitted on: Wed 07 May 2014 04:07:25 PM UTC Category: relax's source code Specif

[bug #22018] Model B14 creates ugly graphs ! Sig saw all over the place.

Update of bug #22018 (project relax): Status:None => Fixed Open/Closed:Open => Closed Operating System:None => All systems

[bug #22018] Model B14 creates ugly graphs ! Sig saw all over the place.

Follow-up Comment #4, bug #22018 (project relax): Added corrected figure (file #20670) ___ Additional Item Attachment: File name: FIX_disp_1_N.png Size:7 KB ___ Reply

[bug #22019] The IT99 model is listed with parameter kex instead of tex.

URL: Summary: The IT99 model is listed with parameter kex instead of tex. Project: relax Submitted by: tlinnet Submitted on: Wed 07 May 2014 06:51:14 PM UTC Category: Documentation Specific ana

[bug #22021] Model B14 shows bad fitting to data.

URL: Summary: Model B14 shows bad fitting to data. Project: relax Submitted by: tlinnet Submitted on: Wed 07 May 2014 07:18:17 PM UTC Category: relax's source code Specific analysis category: N

[bug #22023] relax dx.map produce .net files which makes error.

URL: Summary: relax dx.map produce .net files which makes error. Project: relax Submitted by: tlinnet Submitted on: Wed 07 May 2014 09:06:23 PM UTC Category: relax's source code Specific analys

[bug #22023] relax dx.map produce .net files which makes error.

Follow-up Comment #1, bug #22023 (project relax): Or this. Space has to be tabular \t // page assignment: Colour Spaceorder=4, windowed=0, showing=0 // page assignment: ColourScene order=6, windowed=0, showing=0 // page assignment: Grey Space order=5, windowed=0, showing=0 // page assign

[bug #22023] relax dx.map produce .net files which makes error.

Update of bug #22023 (project relax): Status:None => Fixed Assigned to:None => tlinnet Open/Closed:Open => Closed Operating System:

[bug #22024] Minimisation space for CR72 is catastrophic. The chi2 surface over dw and pA is bounded.

URL: Summary: Minimisation space for CR72 is catastrophic. The chi2 surface over dw and pA is bounded. Project: relax Submitted by: tlinnet Submitted on: Wed 07 May 2014 10:27:39 PM UTC Categor

[bug #22024] Minimisation space for CR72 is catastrophic. The chi2 surface over dw and pA is bounded.

Follow-up Comment #1, bug #22024 (project relax): R2eff profile, and script that generated data. (file #20679, file #20680) ___ Additional Item Attachment: File name: disp_1_N.png Size:6 KB File name: cpmg_synthetic.py

[bug #22021] Model B14 shows bad fitting to data.

Follow-up Comment #1, bug #22021 (project relax): A chi2 hypersurface was constructed over a map of 'dw', 'pA', 'kex'. It is exemplified at. http://wiki.nmr-relax.com/Dx_map Data was created with: model_create = MODEL_NS_CPMG_2SITE_EXPANDED And minimised with: model_analyse = MODEL_B14 sfrq_1 =

[bug #22021] Model B14 shows bad fitting to data.

Follow-up Comment #2, bug #22021 (project relax): Script that produced the map (file #20685, file #20686) ___ Additional Item Attachment: File name: cpmg_synthetic_map.py Size:17 KB File name: disp_1_N.png Size

[bug #22024] Minimisation space for CR72 is catastrophic. The chi2 surface over dw and pA is bounded.

Follow-up Comment #2, bug #22024 (project relax): Generated data with MODEL:NS CPMG 2-site expanded Analysing with MODEL:CR72. For spin: ':1@N' CR72 Ala :1@N r2 599.9 GRID=20.093 MIN=19.999 CLUST=19.999 SET=20.000 RELC=0.000 CR72 Ala :1@N pA GRID=

[bug #22021] Model B14 shows bad fitting to data.

Follow-up Comment #3, bug #22021 (project relax): Generated data with MODEL:NS CPMG 2-site expanded Analysing with MODEL:B14. For spin: ':1@N' B14 Ala :1@N r2 599.9 GRID=20.093 MIN=19.994 CLUST=19.994 SET=20.000 RELC=0.000 B14 Ala :1@N pA GRID=0.9

[bug #22021] Model B14 shows bad fitting to data.

Follow-up Comment #4, bug #22021 (project relax): I have a correction to the statement. The data I added, was for one field. These "rotten chi2 bananas" is to be expected, when only using one field. This behaviour is shown in dx.doi.org/10.1016/j.jmr.2006.01.010 Faithful estimation of dynamics

[bug #22024] Minimisation space for CR72 is catastrophic. The chi2 surface over dw and pA is bounded.

Follow-up Comment #3, bug #22024 (project relax): I have a correction to the statement. The data I added, was for one field. These "rotten chi2 bananas" is to be expected, when only using one field. This behaviour is shown in dx.doi.org/10.1016/j.jmr.2006.01.010 Faithful estimation of dynamics

[task #7791] the dx.map should accept a list of list with values for points.

URL: Summary: the dx.map should accept a list of list with values for points. Project: relax Submitted by: tlinnet Submitted on: Thu 08 May 2014 09:50:07 AM UTC Should Start On: Thu 08 May 2014 12:00:0

[sr #3154] Implementation of Baldwin (2014) B14 model - 2-site exact solution model for all time scales

Update of sr #3154 (project relax): Status:None => Done Open/Closed:Open => Closed Operating System:None => GNU/Linux _

[task #7791] the dx.map should accept a list of list with values for points.

Follow-up Comment #9, task #7791 (project relax): Remember to fix lib/arg_check.py. is_list_val_or_list_of_list_val This function is not yet done. ___ Reply to this item at:

[sr #3154] Implementation of Baldwin (2014) B14 model - 2-site exact solution model for all time scales

Update of sr #3154 (project relax): Open/Closed: Closed => Open ___ Follow-up Comment #137: B14 still blows up in Grid search. Making nan values. This is annoying when making dx maps. It

[bug #22019] The IT99 model is listed with parameter kex instead of tex.

Update of bug #22019 (project relax): Status:None => Fixed Open/Closed:Open => Closed ___ Reply to this item at:

[task #7791] the dx.map should accept a list of list with values for points.

Update of task #7791 (project relax): Status: In Progress => Completed Percent Complete: 0% => 100% Open/Closed:Open => Closed Effort:

[sr #3154] Implementation of Baldwin (2014) B14 model - 2-site exact solution model for all time scales

Update of sr #3154 (project relax): Open/Closed:Open => Closed ___ Reply to this item at: ___ Message sent v

[bug #21799] Insufficient recommendations/Warning message for the execution of dauvergne protocol with 1 field is incomplete

Update of bug #21799 (project relax): Status:None => Fixed Open/Closed:Open => Closed ___ Reply to this item at:

[bug #22017] LinAlgError, for all numerical CPMG models.

Follow-up Comment #1, bug #22017 (project relax): Print out shows that relax_times is: [[ 0.06 NaN]] Hmmm ___ Reply to this item at: ___ Message sent via/by G

[bug #22017] LinAlgError, for all numerical CPMG models.

Follow-up Comment #2, bug #22017 (project relax): It is somewhere in: def return_r2eff_arrays(spins=None, spin_ids=None, fields=None, field_count=None, sim_index=None): /specific_analyses/relax_disp/data.py The looping over time points is misbehaving. Under the looping: for exp_type, frq, offs

[bug #22027] function "remap" in dx.map not used

URL: Summary: function "remap" in dx.map not used Project: relax Submitted by: tlinnet Submitted on: Fri 09 May 2014 09:42:06 AM UTC Category: None Specific analysis category: None

[task #7792] Make the dx.map write suggest chi surface values.

URL: Summary: Make the dx.map write suggest chi surface values. Project: relax Submitted by: tlinnet Submitted on: Fri 09 May 2014 03:03:34 PM UTC Should Start On: Fri 09 May 2014 12:00:00 AM UTC Sh

[task #7792] Make the dx.map write suggest chi surface values.

Update of task #7792 (project relax): Should be Finished on: Fri 09 May 2014 12:00:00 AM UTC => Sat 10 May 2014 12:00:00 AM UTC Status:None => Completed Percent Complete: 0% => 100%

[bug #22027] function "remap" in dx.map not used

Update of bug #22027 (project relax): Status:None => Fixed Open/Closed:Open => Closed ___ Reply to this item at:

[bug #22024] Minimisation space for CR72 is catastrophic. The chi2 surface over dw and pA is bounded.

Follow-up Comment #6, bug #22024 (project relax): This map shows the total failure op minimising the chi2 space, with reasonable experimental parameters. It is very very weird, that the optimized point lies so far down the edge. This happens when dw=1 or less for this setup. Why is this??? The

[bug #22024] Minimisation space for CR72 is catastrophic. The chi2 surface over dw and pA is bounded.

Follow-up Comment #7, bug #22024 (project relax): And here, where dw=3, but same setup. It is "close" to a solution, but cannot find the right one. Params for dx map is ['dw', 'pA', 'kex'] Point creating dx map is [3.0, 0.99299, 2200.0] Minimises point in dx map is [2.823896514097690

[bug #22024] Minimisation space for CR72 is catastrophic. The chi2 surface over dw and pA is bounded.

Follow-up Comment #8, bug #22024 (project relax): And for this setup, where you have only 1 field, and dw=1.2 Why is it finding a solution under the chi2 surface sheet??? Params for dx map is ['dw', 'pA', 'kex'] Point creating dx map is [1.2, 0.99299, 2200.0] Minimises point in dx

[bug #22021] Model B14 shows bad fitting to data.

Follow-up Comment #5, bug #22021 (project relax): In this map, we can see that the chi2 surface is exceeding the original point. The B14 model will newer be able to find the right solution. 'kex': 2200.0, 'pA': 0.993, 'dw': 3.0 Params for dx map is ['dw', 'pA', 'kex'] Point creating dx map is

[bug #22021] Model B14 shows bad fitting to data.

Follow-up Comment #6, bug #22021 (project relax): The square root functions of g1 and g2 was tried to be converted back to the cos & atan functions as original intended. The chi2 surface space is now totally switched. And again, the true solution can never be found. But, with the trigometric fun

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