Changes

* Fixes for dead hyperlinks in the relaxation dispersion chapter of the relax manual. The [[B14 ]] model links to http://www.nmr-relax.com/api/3.2/lib.dispersion.b14-module.html were broken as the B in [[B14 ]] was capitalised.

* Added unit tests demonstrating edge cases 'no Rex' failures of the model '[[CR72 full']], for a clustered multi dimensional calculation. This is implemented for one field. This is to implement catching of math domain errors, before they occur. These tests cover all parameter value combinations which result in no exchange: Task #7807 (https://gna.org/task/?7807): Speed-up of dispersion models for clustered analysis.

* Added unit tests demonstrating edge cases 'no Rex' failures of the model '[[CR72 full']], for a clustered multi dimensional calculation. This is implemented for three fields. This is to implement catching of math domain errors, before they occur. These tests cover all parameter value combinations which result in no exchange: Task #7807 (https://gna.org/task/?7807): Speed-up of dispersion models for clustered analysis.* Changed that special numpy structure is also created for "[[CR72"]]. This makes most system tests pass. Task #7807 (https://gna.org/task/?7807): Speed-up of dispersion models for clustered analysis.

* Copied profiling script for CPMG model [[CR72 ]] to R1rho [[DPL94 ]] model. The framework of the script will be the same, but the data a little different. Task #7807 (https://gna.org/task/?7807): Speed-up of dispersion models for clustered analysis.* Started converting profiling script to [[DPL94]]. Task #7807 (https://gna.org/task/?7807): Speed-up of dispersion models for clustered analysis.

* Copied profiling script for [[CR72 ]] to [[B14 ]] model. Task #7807 (https://gna.org/task/?7807): Speed-up of dispersion models for clustered analysis.* Modified profiling script for the [[B14 ]] model. Task #7807 (https://gna.org/task/?7807): Speed-up of dispersion models for clustered analysis.* Modified model [[B14 ]] lib file to faster numpy multidimensional mode. The implementations comes almost directly from the [[CR72 ]] model file. Task #7807 (https://gna.org/task/?7807): Speed-up of dispersion models for clustered analysis.

* Changed the target function to handle the [[B14 ]] model for faster numpy computation. Task #7807 (https://gna.org/task/?7807): Speed-up of dispersion models for clustered analysis.* Changed unit test for [[B14 ]] to match numpy input requirement. Task #7807 (https://gna.org/task/?7807): Speed-up of dispersion models for clustered analysis.

* Comment fix for finding when E0 is above 700 in lib function of [[B14]]. Task #7807 (https://gna.org/task/?7807): Speed-up of dispersion models for clustered analysis.

* Changed target function for model [[CR72]]. To [[CR72 ]] is now also the input of the parameters of R20A, R20B and dw. dw is tested for zero, to return flat lines. It is faster to search in the smaller numpy array, than the 5 dimensional dw array. This is for speed-up. R20A and R20B is also subtracted, to see if the full model should be used. In the same way, it is faster to subtract the smaller array. These small tricks are expected to give 5-10 pct. speeed-up. Task #7807 (https://gna.org/task/?7807): Speed-up of dispersion models for clustered analysis.* Made the lib function of [[CR72 ]] accept the R20A, R20B and dw of the original array. This is for speed-up. Task #7807 (https://gna.org/task/?7807): Speed-up of dispersion models for clustered analysis.* Changed unit-tests, to send in the original R20A, R20B and dw_orig to the testing of the lib function [[CR72]]. Task #7807 (https://gna.org/task/?7807): Speed-up of dispersion models for clustered analysis.

* Changed target function for model [[B14]]. To [[B14 ]] now also send the input of the original parameters dw. dw is tested for zero, to return flat lines. It is faster to search in the smaller numpy array, than the 5 dimensional dw array. This is for speed-up. These small tricks are expected to give 5-10 pct. speed-up. Task #7807 (https://gna.org/task/?7807): Speed-up of dispersion models for clustered analysis.* Made the lib function of [[B14 ]] accept dw of the original array. This is for speed-up. Task #7807 (https://gna.org/task/?7807): Speed-up of dispersion models for clustered analysis.* Changed unit-tests, to send in the original dw_orig to the testing of the lib function [[B14]]. Task #7807 (https://gna.org/task/?7807): Speed-up of dispersion models for clustered analysis.* Changed profiling script to send dw as original parameters to the lib function [[B14]]. Task #7807 (https://gna.org/task/?7807): Speed-up of dispersion models for clustered analysis.* Copied profiling script for [[CR72 ]] model to [[TSMFK01 ]] model. Task #7807 (https://gna.org/task/?7807): Speed-up of dispersion models for clustered analysis.* Modified profiling script to be used for model [[TSMFK01]]. Task #7807 (https://gna.org/task/?7807): Speed-up of dispersion models for clustered analysis.* Modified target function for model [[TSMFK01]], to send in dw as original parameter. Task #7807 (https://gna.org/task/?7807): Speed-up of dispersion models for clustered analysis.* Modified lib function for model [[TSMFK01 ]] to accept dw_orig as input and replaced functions to find math domain errors into maske replacements. Task #7807 (https://gna.org/task/?7807): Speed-up of dispersion models for clustered analysis.* Made unit tests for model [[TSMFK01 ]] send in R20A and dw as a numpy array. Task #7807 (https://gna.org/task/?7807): Speed-up of dispersion models for clustered analysis.* Large increase in speed for model [[TSMFK01 ]] by changing target functions to use multidimensional numpy arrays in calculation. This is done by restructuring data into multidimensional arrays of dimension [NE][NS][NM][NO][ND], which are number of spins, number of magnetic field strength, number of offsets, maximum number of dispersion point. The speed comes from using numpy ufunc operations. The new version is 2.4X as fast per spin calculation, and 54X as fast for clustered analysis.* Replacing math domain checking in model [[DPL94]], with masked array replacement. Task #7807 (https://gna.org/task/?7807): Speed-up of dispersion models for clustered analysis.* First try to speed up model [[DPL94]]. This has not succeeded, since system test: Relax_disp.test_dpl94_data_to_dpl94 still fails. Task #7807 (https://gna.org/task/?7807): Speed-up of dispersion models for clustered analysis.

* Fix for forgetting to multiply frqs to power 2. This was found by inspecting all print out before and after implementation. New implementation of [[DPL94 ]] now passes all system and unit tests. Task #7807 (https://gna.org/task/?7807): Speed-up of dispersion models for clustered analysis.

* Converted [[TAP03 ]] model to use multi dimensional numpy arrays. Task #7807 (https://gna.org/task/?7807): Speed-up of dispersion models for clustered analysis.* Made dw in unit tests of [[TAP03 ]] be of numpy array. Task #7807 (https://gna.org/task/?7807): Speed-up of dispersion models for clustered analysis.* Replaced the loop structure in target function of [[TAP03 ]] with numpy arrays. This makes the model faster. Task #7807 (https://gna.org/task/?7807): Speed-up of dispersion models for clustered analysis.

* Methods to replace math domain errors in model [[TP02]], has been replaced with numpy masks. Documentation is also fixed. Task #7807 (https://gna.org/task/?7807): Speed-up of dispersion models for clustered analysis.* Fix for sending in dw as numpy array in unit tests of model [[TP02]]. Task #7807 (https://gna.org/task/?7807): Speed-up of dispersion models for clustered analysis.* Replaced target function for model [[TP02]], to use higher dimensional numpy array structures. That makes the model much faster. Task #7807 (https://gna.org/task/?7807): Speed-up of dispersion models for clustered analysis.* Fix for adding model [[TP02 ]] to part of init class to initialize preparation of higher dimension numpy structures. Task #7807 (https://gna.org/task/?7807): Speed-up of dispersion models for clustered analysis.

* Methods to replace math domain errors in model [[M61]], has been replaced with numpy masks. Documentation is also fixed. Task #7807 (https://gna.org/task/?7807): Speed-up of dispersion models for clustered analysis.* Fix for sending in r1rho_prime and phi_ex_scaled as numpy array in unit tests of model [[M61]]. Task #7807 (https://gna.org/task/?7807): Speed-up of dispersion models for clustered analysis.* Replaced target function for model [[M61]], to use higher dimensional numpy array structures. That makes the model much faster. Task #7807 (https://gna.org/task/?7807): Speed-up of dispersion models for clustered analysis.* Methods to replace math domain errors in model [[M61b]], has been replaced with numpy masks. Documentation is also fixed. Task #7807 (https://gna.org/task/?7807): Speed-up of dispersion models for clustered analysis.* Fix for sending in r1rho_prime and dw as numpy array in unit tests of model [[M61b]]. Task #7807 (https://gna.org/task/?7807): Speed-up of dispersion models for clustered analysis.* Replaced target function for model [[M61b]], to use higher dimensional numpy array structures. That makes the model much faster. Task #7807 (https://gna.org/task/?7807): Speed-up of dispersion models for clustered analysis.* Removed number of points to be send to lib function of model [[TSMFK01]]. These are not used anymore. Also removed in corresponding unit tests. Task #7807 (https://gna.org/task/?7807): Speed-up of dispersion models for clustered analysis.* Removed number of points and pB to be send to lib function of model [[TP02]]. Number of points are not used anymore. pB is calculated in lib function instead. Also removed in corresponding unit tests. Task #7807 (https://gna.org/task/?7807): Speed-up of dispersion models for clustered analysis.* Removed number of points and pB to send to lib function of model [[TP02]]. pB is calculated in lib function instead. Task #7807 (https://gna.org/task/?7807): Speed-up of dispersion models for clustered analysis.* Removed number of points, pB, k_AB, k_BA to be send to lib function of model [[B14]]. Number of points are not used anymore. pB is calculated in lib function instead. k_AB, and k_BA are calculated in lib functions instead. Fixed in target function. Fixed in lib function. Fixed in corresponding unit tests. Task #7807 (https://gna.org/task/?7807): Speed-up of dispersion models for clustered analysis.* Fix for sending number of points in target function of [[TSMFK01]]. This was removed in lib function. Task #7807 (https://gna.org/task/?7807): Speed-up of dispersion models for clustered analysis.* Removed number of points, pB, to be send to lib function of model [[TAP03]]. Number of points are not used anymore. pB is calculated in lib function instead. Fixed in target function. Fixed in lib function. Fixed in corresponding unit tests. Task #7807 (https://gna.org/task/?7807): Speed-up of dispersion models for clustered analysis.* Removed number of points, to be send to lib function of model [[CR72]]. Number of points are not used anymore. Fixed in target function. Fixed in lib function. Fixed in corresponding unit tests. Task #7807 (https://gna.org/task/?7807): Speed-up of dispersion models for clustered analysis.* Removed number of points, to be send to lib function of model [[DPL94]]. Number of points are not used anymore. Fixed in target function. Fixed in lib function. Fixed in corresponding unit tests. Task #7807 (https://gna.org/task/?7807): Speed-up of dispersion models for clustered analysis.* Removed number of points, to be send to lib function of model [[M61]]. Number of points are not used anymore. Fixed in target function. Fixed in lib function. Fixed in corresponding unit tests. Task #7807 (https://gna.org/task/?7807): Speed-up of dispersion models for clustered analysis.* Removed number of points, to be send to lib function of model [[M61b]]. Number of points are not used anymore. Fixed in target function. Fixed in lib function. Fixed in corresponding unit tests. Task #7807 (https://gna.org/task/?7807): Speed-up of dispersion models for clustered analysis.* Methods to replace math domain errors in model [[MP05]], has been replaced with numpy masks. Number of points has been removed, as the masks utility replaces this. Calculation of pB, has been moved to lib function for simplicity. Documentation is also fixed. Task #7807 (https://gna.org/task/?7807): Speed-up of dispersion models for clustered analysis.* Fix for sending in dw as numpy array in unit tests of model [[MP05]]. Task #7807 (https://gna.org/task/?7807): Speed-up of dispersion models for clustered analysis.* Replaced target function for model [[MP05]], to use higher dimensional numpy array structures. That makes the model much faster. Task #7807 (https://gna.org/task/?7807): Speed-up of dispersion models for clustered analysis.* Methods to replace math domain errors in model [[LM63]], has been replaced with numpy masks. Number of points has been removed, as the masks utility replaces this. Documentation is also fixed. Task #7807 (https://gna.org/task/?7807): Speed-up of dispersion models for clustered analysis.* Fix for sending in number of points in unit tests of model [[LM63]]. Task #7807 (https://gna.org/task/?7807): Speed-up of dispersion models for clustered analysis. Task #7807 (https://gna.org/task/?7807): Speed-up of dispersion models for clustered analysis.* Replaced target function for model [[LM63]], to use higher dimensional numpy array structures. That makes the model much faster. Task #7807 (https://gna.org/task/?7807): Speed-up of dispersion models for clustered analysis.

* Fix for sending in r20 and phi_ex as numpy array in unit tests of [[LM63]]. This is after using masks as replacement. Task #7807 (https://gna.org/task/?7807): Speed-up of dispersion models for clustered analysis.

* Fix for unit tests of model [[NS CPMG 2-site 3D ]] to the reduced input to the lib function. Task #7807 (https://gna.org/task/?7807): Speed-up of dispersion models for clustered analysis.* Change to the target function to the model [[NS CPMG 2-site 3D ]] to use the reduced input to the lib function. Task #7807 (https://gna.org/task/?7807): Speed-up of dispersion models for clustered analysis.

* Moved the bulk operation of model [[NS CPMG 2-site 3D ]] into the lib file. This is to keep the API clean. Task #7807 (https://gna.org/task/?7807): Speed-up of dispersion models for clustered analysis.* Changed the unit test of [[NS CPMG 2-site 3D]], after the input to the function has changed. Task #7807 (https://gna.org/task/?7807): Speed-up of dispersion models for clustered analysis.* Changed the target function for [[NS CPMG 2-site 3D]]. This reflects the new API layout. Task #7807 (https://gna.org/task/?7807): Speed-up of dispersion models for clustered analysis.* Changed the lib function of [[NS CPMG 2-site star]], to get input of dw and r20a+r20b of higher dimensional type. This is to move the main operations from the target function to the lib function, and make the API code clean and consistent. Task #7807 (https://gna.org/task/?7807): Speed-up of dispersion models for clustered analysis.* Changed the target function of [[NS CPMG 2-site star]], to reflect the input to the function. Task #7807 (https://gna.org/task/?7807): Speed-up of dispersion models for clustered analysis.* Made the dot evolution structure faster for [[NS CPMG 2-site 3D]]. Task #7807 (https://gna.org/task/?7807): Speed-up of dispersion models for clustered analysis.

* Inner product fix in model [[NS CPMG 2-site 3D]]. Fix for system tests: Relax_disp.test_cpmg_synthetic_ns3d_to_b14, Relax_disp.test_cpmg_synthetic_ns3d_to_CR72, Relax_disp.test_cpmg_synthetic_ns3d_to_CR72_noise_cluster. The number of dotting with Mint, should correspond to the power. Task #7807 (https://gna.org/task/?7807): Speed-up of dispersion models for clustered analysis.

* Moved the calculation of dw and dwH out of for loops for model [[MMQ CR72]]. Task #7807 (https://gna.org/task/?7807): Speed-up of dispersion models for clustered analysis.* Removed looping over spin and frequencies for model [[MMQ CR72]]. Task #7807 (https://gna.org/task/?7807): Speed-up of dispersion models for clustered analysis.* Temporary removed check for dw = 0.0 in [[MMQ CR72]]. Task #7807 (https://gna.org/task/?7807): Speed-up of dispersion models for clustered analysis.* Removed number of points to be parsed to model [[MMQ CR72]]. Task #7807 (https://gna.org/task/?7807): Speed-up of dispersion models for clustered analysis.* Removed power to be parsed to [[MMQ CR72]], since it is not used. Task #7807 (https://gna.org/task/?7807): Speed-up of dispersion models for clustered analysis.* Changed [[MMQ CR72 ]] to use multi dimensional data. Task #7807 (https://gna.org/task/?7807): Speed-up of dispersion models for clustered analysis.* Changed unit test of [[MMQ CR72 ]] to pass. dw needs to be of numpy structure. Task #7807 (https://gna.org/task/?7807): Speed-up of dispersion models for clustered analysis.* Moved the calculation of dw out of for loops for model [[NS MMQ 2-site]]. Task #7807 (https://gna.org/task/?7807): Speed-up of dispersion models for clustered analysis.* Modified lib function for [[NS MMQ 2-site]], to have looping over spins and frequencies inside lib function. Task #7807 (https://gna.org/task/?7807): Speed-up of dispersion models for clustered analysis.* Fixed the use of higher dimensional data in [[NS MMQ 2-site ]] SQ DQ ZQ. Task #7807 (https://gna.org/task/?7807): Speed-up of dispersion models for clustered analysis.* Fix for documentation in [[NS MMQ 2-site]]/SQ/DQ/ZQ/MQ. Now explains which dimension data should be in. Task #7807 (https://gna.org/task/?7807): Speed-up of dispersion models for clustered analysis.

* Changed the calculation of inner product in model [[NS CPMG 2-site 3D]]. The out argument of numpy.dot is buggy, and should not be used. Task #7807 (https://gna.org/task/?7807): Speed-up of dispersion models for clustered analysis.

* Bug fix for model [[LM63 3-site]]. The index si has to be used to extract data to lib function. Task #7807 (https://gna.org/task/?7807): Speed-up of dispersion models for clustered analysis.

* Moved the cleaning of data points and replacing of values of out loop for model [[NS MMQ 2-site]]. Task #7807 (https://gna.org/task/?7807): Speed-up of dispersion models for clustered analysis.* Fix for structure cleaning and value replacing for model [[MMQ CR72]]. System test: test_korzhnev_2005_all_data revealed how this should be done properly. Task #7807 (https://gna.org/task/?7807): Speed-up of dispersion models for clustered analysis.

* Restructured target function for [[NS MMQ 3-site ]] to the new API structure of higher dimensional data. Task #7807 (https://gna.org/task/?7807): Speed-up of dispersion models for clustered analysis.* Reordered the lib function for [[NS MMQ 3-site ]] to use higher dimensional data. Task #7807 (https://gna.org/task/?7807): Speed-up of dispersion models for clustered analysis.

* First attempt to implement target function for [[NS R1rho 2-site]]. But it does not work yet. Task #7807 (https://gna.org/task/?7807): Speed-up of dispersion models for clustered analysis.* First attempt to implement lib function for [[NS R1rho 2-site]]. But it does not work yet. Task #7807 (https://gna.org/task/?7807): Speed-up of dispersion models for clustered analysis.

* Implemented the target function for [[NS R1rho 3-site]]. Task #7807 (https://gna.org/task/?7807): Speed-up of dispersion models for clustered analysis.* Implemented the lib function for [[NS R1rho 3-site]]. Task #7807 (https://gna.org/task/?7807): Speed-up of dispersion models for clustered analysis.* Implemented target function for [[LM63 3-site]]. Task #7807 (https://gna.org/task/?7807): Speed-up of dispersion models for clustered analysis.* Implemented the lib function for [[LM63 3-site]], for higher dimensional data. Task #7807 (https://gna.org/task/?7807): Speed-up of dispersion models for clustered analysis.* Removed the number of disp points in target function for [[LM63 3-site]], since it is no longer used, but have been replaced with mask replacements. Task #7807 (https://gna.org/task/?7807): Speed-up of dispersion models for clustered analysis.

* Copyright fix for model [[TSMFK01]]. Sebastien Morin did not take part of implementing the [[TSMFK01 ]] model. Task #7807 (https://gna.org/task/?7807): Speed-up of dispersion models for clustered analysis.

* Added a profiling script for the '[[NS CPMG 2-site expanded' ]] dispersion model. This is the model at http://wiki.nmr-relax.com/NS_CPMG_2-site_expanded. The script was copied from that of the [[CR72 ]] model, and it only needed to be changed in a few places. This is the first numeric model profiling script.* Updated the profiling super script and log for the '[[NS CPMG 2-site expanded' ]] model. This is the model at http://wiki.nmr-relax.com/NS_CPMG_2-site_expanded. This shows that the single spin calculation is 1.8 times faster, and the cluster of 100 11.7 times faster, when compared to relax 3.2.2.

* Added a script for profiling the '[[NS CPMG 2-site 3D' ]] relaxation dispersion model. This is the model at http://wiki.nmr-relax.com/NS_CPMG_2-site_3D. Again this only involved copying one of the other scripts and modifying a few variable and function names.* Added the '[[NS CPMG 2-site 3D' ]] model to the dispersion super profiling script. To handle the fact that this script has nr_iter set to 100 rather than 1000 (as otherwise it is too slow), a list of scaling factors has been created to scale all timing numbers to equivalent values.* Added [[DPL94 ]] profiling script. Task #7807 (https://gna.org/task/?7807): Speed-up of dispersion models for clustered analysis.* Modified profiling script for [[TSMFK01]], to use correct parameters k_AB and r20a. Or else, the lib functions is just calculating with zero? Task #7807 (https://gna.org/task/?7807): Speed-up of dispersion models for clustered analysis.* Changes to profiling script of [[NS CPMG 2-site expanded]]. The model does not have r20a and r20b, but only r2. Task #7807 (https://gna.org/task/?7807): Speed-up of dispersion models for clustered analysis.* Made changes to the profiling script of [[NS CPMG 2-site 3D]]. Need to use the full model, when r2a and r2b is specified. Task #7807 (https://gna.org/task/?7807): Speed-up of dispersion models for clustered analysis.* Changes to profiling script of [[NS CPMG 2-site expanded]]. The unpacking can be removed. Task #7807 (https://gna.org/task/?7807): Speed-up of dispersion models for clustered analysis.* Fix for the profiling script of [[NS CPMG 2-site 3D]]. The model should also be specified to full. Task #7807 (https://gna.org/task/?7807): Speed-up of dispersion models for clustered analysis.

* Copied profiling script of [[DPL94 ]] to [[NS R1rho 2-site]].

* Added profiling script for [[NS R1rho 2-site]]. Task #7807 (https://gna.org/task/?7807): Speed-up of dispersion models for clustered analysis.

* Moved the parter conversion in [[LM63 3-site ]] into the lib function. This cleans up the target api function. Task #7807 (https://gna.org/task/?7807): Speed-up of dispersion models for clustered analysis.* Copied profiling script for [[DPL94 ]] to [[TAP03]].* Copied profiling script for [[DPL94 ]] to [[TP02]].* Copied profiling script for [[DPL94 ]] to [[MP05]].* Copied profiling script for [[DPL94 ]] to [[M61]].* Modified profiling script for [[TAP03 ]] to be used. Task #7807 (https://gna.org/task/?7807): Speed-up of dispersion models for clustered analysis.* Modified profiling script for [[TP02]], to be used. Task #7807 (https://gna.org/task/?7807): Speed-up of dispersion models for clustered analysis.* Modified profiling script for [[MP05]]. Task #7807 (https://gna.org/task/?7807): Speed-up of dispersion models for clustered analysis.* Modified profiling script for [[M61]]. This is the last one. Task #7807 (https://gna.org/task/?7807): Speed-up of dispersion models for clustered analysis.* Expansion of the disp_profile_all.py dispersion model super profiling scripts. The newly added profiling scripts for models '[[M61']], '[[TP02']], '[[TAP03']], and '[[MP05' ]] are now included in the super script to generate statistics for all of these as well. The nr_iter variable has also been changed to match the other analytic models, so that the standard deviations are lowered and the statistics are better.* Moved the parameter conversion of [[MMQ CR72 ]] into lib function. Task #7807 (https://gna.org/task/?7807): Speed-up of dispersion models for clustered analysis.* Moved the parameter conversions of k_AB, k_BA and pB into lib function of [[NS MMQ 2-site]]. Task #7807 (https://gna.org/task/?7807): Speed-up of dispersion models for clustered analysis.* Moved the parameter conversion from target function to lib function for [[NS R1rho 2-site]]. Task #7807 (https://gna.org/task/?7807): Speed-up of dispersion models for clustered analysis.* Updated the dispersion model speed statistics for the disp_spin_speed branch vs. relax-3.2.2. This now includes the '[[NS CPMG 2-site 3D']], '[[DPL94']], and '[[NS R1rho 2-site' ]] dispersion models. The timings for the single spin analyses are now comparable to the clustered analysis, as the equivalent of 100 single spins is being used. The final printout is also in a better format to present for the relax release messages. These new results show the insane 160x speed up of the '[[DPL94' ]] model.

* Updated the model names in the dispersion model super profiling script. The '[[CR72']], '[[B14' ]] and '[[NS CPMG 2-site 3D' ]] models are the full, slower versions rather than the faster models with R20 = R20A = R20B. The log file has been updated to match.* Moved the parameter conversion for [[NS MMQ 3-site ]] into lib function. Task #7807 (https://gna.org/task/?7807): Speed-up of dispersion models for clustered analysis.* Updated the dispersion model profiling comparison of the disp_spin_speed branch vs. relax-3.2.2. The '[[M61']], '[[TP02']], '[[TAP03']], and '[[MP05' ]] models are now included. The final printout has been manually updated to reflect the newest version of the disp_profile_all.py super profiling script.* Moved the parameter conversion for [[NS R1rho 3-site ]] into lib function. Task #7807 (https://gna.org/task/?7807): Speed-up of dispersion models for clustered analysis.* Copied profiling script for [[CR72]], so there is now a normal and a full version.* Copied profiling for [[B14 ]] to normal and full model.

* Copied profiling script for [[NS CPMG 2-site 3D]].* Copied profiling script for [[NS CPMG 2-site star]].* Copied profiling script for [[No Rex]].* Modified profiling script for [[B14]], to R20A=R20B. Task #7807 (https://gna.org/task/?7807): Speed-up of dispersion models for clustered analysis.* Implemented profiling script for [[NS CPMG 2-site 3D]]. Task #7807 (https://gna.org/task/?7807): Speed-up of dispersion models for clustered analysis.* Implemented profiling script for [[NS CPMG 2-site star ]] and [[NS CPMG 2-site star full|star full]]. Task #7807 (https://gna.org/task/?7807): Speed-up of dispersion models for clustered analysis.* Copied profiling script to be used for [[LM63]].

* Implemented profiling script for [[LM63]]. Task #7807 (https://gna.org/task/?7807): Speed-up of dispersion models for clustered analysis.* Moved the "eta_scale = 2.0**(-3.0/2.0)" out of lib function for [[MMQ CR72]], since this is only needs to be computed once. Task #7807 (https://gna.org/task/?7807): Speed-up of dispersion models for clustered analysis.

* Critical fix for wrong space inserted in [[NS MMQ 3-site ]] MQ. Task #7807 (https://gna.org/task/?7807): Speed-up of dispersion models for clustered analysis.* Fixed the input for unit test of [[MMQ CR72]]. The number of input parameters has been lowered. Task #7807 (https://gna.org/task/?7807): Speed-up of dispersion models for clustered analysis.* Added additional math domain checking in [[B14]]. This is when v1c is less than 1.0. Task #7807 (https://gna.org/task/?7807): Speed-up of dispersion models for clustered analysis.

* Implemented double speed of model [[NS CPMG 2-site 3D]]. This is done by moving the costly calculation of the matrix exponential out of the for loops. The trick was to find a method to do dot product of higher dimensions. This was done with numpy.einsum, example at: http://wiki.nmr-relax.com/Numpy_linalg#Ellipsis_broadcasting_in_numpy.einsum. Example: dot_V_W = einsum('...ij,...jk', V, W_exp_diag) where V, and W_exp_diag has shape [NE][NS][NM][NO][ND][7][7]. The profiling script shows a 2X speed up.

* Removed unused variables in [[NS CPMG 2-site 3D]], to clean up the code. Task #7807 (https://gna.org/task/?7807): Speed-up of dispersion models for clustered analysis.

* Moved the costly calculation of the matrix exponential out of for loops. It was the numpy.eig and numpy.inv which was draining power. This speeds up model [[NS R1rho 2-site]], by a factor 4X.

* Cleaned up the code of [[NS R1rho 2-site]], and removed the matrix argument to the function. Task #7807 (https://gna.org/task/?7807): Speed-up of dispersion models for clustered analysis.* Removed the parsing of a matrix to the lib function of [[NS R1rho 2-site]]. Task #7807 (https://gna.org/task/?7807): Speed-up of dispersion models for clustered analysis.* Added the function "rcpmg_star_rankN" for the collection of the multidimensional relaxation matrix for model [[NS CPMG 2-site star]]. Task #7807 (https://gna.org/task/?7807): Speed-up of dispersion models for clustered analysis.

* Cleaned up the code in model [[NS CPMG 2-site star]]. Task #7807 (https://gna.org/task/?7807): Speed-up of dispersion models for clustered analysis.* Simplified model [[NS CPMG 2-site 3D]]. The expansion of matrices to higher dimensionality is not necessary. Task #7807 (https://gna.org/task/?7807): Speed-up of dispersion models for clustered analysis.* Further cleaned up the code in [[NS CPMG 2-site star]]. Task #7807 (https://gna.org/task/?7807): Speed-up of dispersion models for clustered analysis.* Removed input of matrix, Rr, Rex, RCS and R to model [[NS CPMG 2-site star]]. These matrices is now extracted from NS matrix function rcpmg_star_rankN. Task #7807 (https://gna.org/task/?7807): Speed-up of dispersion models for clustered analysis.* Implemented the collection of the multidimensional matrix m1 and m2 in model [[NS MMQ 2-site]]. Inserted also a check, that the newly computed matrix is equal. They are, to the 6 digit. Task #7807 (https://gna.org/task/?7807): Speed-up of dispersion models for clustered analysis.

* Removed m1 and m2 to be sent to lib function of [[NS MMQ 2-site]], since they are now populated inside the lib function. Task #7807 (https://gna.org/task/?7807): Speed-up of dispersion models for clustered analysis.

* Moved the calculation of the matrix exponential out of for loops for [[NS MMQ 3-site ]] MQ. Task #7807 (https://gna.org/task/?7807): Speed-up of dispersion models for clustered analysis.* Converted [[NS MMQ 3-site]]/SQ/DQ/ZQ to calculate the matrix exponential out of the for loops. Task #7807 (https://gna.org/task/?7807): Speed-up of dispersion models for clustered analysis.

* Documentation and input fix for [[NS MMQ 2-site]]. The m1 and m2 matrices are populated inside the lib function. Task #7807 (https://gna.org/task/?7807): Speed-up of dispersion models for clustered analysis.

* Implemented multidimensional [[NS R1rho 3-site ]] exchange matrix. Task #7807 (https://gna.org/task/?7807): Speed-up of dispersion models for clustered analysis.

* Moved the calculation of the matrix exponential out of the for loops for [[NS R1rho 3-site]]. Task #7807 (https://gna.org/task/?7807): Speed-up of dispersion models for clustered analysis.* Removed the parameter "matrix" to be send to lib function of [[NS R1rho 3-site]], since it is now populated inside the lib function. Task #7807 (https://gna.org/task/?7807): Speed-up of dispersion models for clustered analysis.* Moved parameter conversion for [[NS R1rho 3-site ]] inside lib function. Task #7807 (https://gna.org/task/?7807): Speed-up of dispersion models for clustered analysis.

* Documentation fix for the dimensionality for model [[NS R1rho 2-site]]. The data is lined up to be of form [NE][NS][NM][NO][ND]. Task #7807 (https://gna.org/task/?7807): Speed-up of dispersion models for clustered analysis.

* Math domain fix for [[NS CPMG 2-site expanded]]. This is when t108 or t112 is zero, in the multidimensional array, a division error occurs. The elements are first set to 1.0, to allow for computation. Then elements are later replaced with 1e100. Lastly, if the elements are not part of the "True" dispersion point structure, they are cleaned out. Task #7807 (https://gna.org/task/?7807): Speed-up of dispersion models for clustered analysis.

* Implemented profiling script for [[LM63 3-site]]. Task #7807 (https://gna.org/task/?7807): Speed-up of dispersion models for clustered analysis.

* Added a relaxation dispersion model profiling log file for relax version 3.2.1 vs. 3.2.0. This is the output from the dispersion model profiling master script. It shows a 2.2 times increase in speed for the [[B14 ]] and [[B14 full ]] models, with all other models remaining at the same speed. This matches the changes for relax 3.2.1 (https://gna.org/forum/forum.php?forum_id=2462), the main feature of which is a major bugfix for the [[B14 ]] models.

* Modified profiling script for [[NS R1rho 3-site]], to be functional. Task #7807 (https://gna.org/task/?7807): Speed-up of dispersion models for clustered analysis.* Modified profiling script for [[NS R1rho 3-site linear ]] to be functional. Task #7807 (https://gna.org/task/?7807): Speed-up of dispersion models for clustered analysis.

* Added profiling script for model [[MMQ CR72]], Task #7807 (https://gna.org/task/?7807): Speed-up of dispersion models for clustered analysis.* Fix for the replacement value for invalid values in model [[MMQ CR72]]. The value was set to use r20, but should instead be 1e100. Task #7807 (https://gna.org/task/?7807): Speed-up of dispersion models for clustered analysis.* Copied profiling script from [[MMQ CR72]], to [[NS MMQ 2-site ]] and [[NS MMQ 3-site|3-site]].* Copied profiling script to [[NS MMQ 3-site linear]].* Implemented profiling script for [[NS MMQ 2-site]]. Task #7807 (https://gna.org/task/?7807): Speed-up of dispersion models for clustered analysis.* Implemented profiling script for [[NS MMQ 3-site ]] and [[NS MMQ 3-site linear|3-site linear]]. Task #7807 (https://gna.org/task/?7807): Speed-up of dispersion models for clustered analysis.* Speeded up model [[NS CPMG 2-site star]], by moving the forming of the propagator matrix out of the for loops, and preform it. Task #7807 (https://gna.org/task/?7807): Speed-up of dispersion models for clustered analysis.

* Speeded up [[NS MMQ 2-site]], by moving the forming of evolution matrix out of the for loops, and preform it. Task #7807 (https://gna.org/task/?7807): Speed-up of dispersion models for clustered analysis.* Speeded up [[NS MMQ 3-site]], by moving the forming of evolution matrix out of the for loops, and preform it. Task #7807 (https://gna.org/task/?7807): Speed-up of dispersion models for clustered analysis.

* Speeded up [[NS R1rho 2-site]], by preforming the evolution matrices, and the M0 matrix in the init part of the target function. Task #7807 (https://gna.org/task/?7807): Speed-up of dispersion models for clustered analysis.* Speeded up [[NS R1rho 3-site]], by preforming the evolution matrices, and the M0 matrix in the init part of the target function. Task #7807 (https://gna.org/task/?7807): Speed-up of dispersion models for clustered analysis.* Expanded the dispersion model profiling master script to cover all the new profiling scripts. This includes all 3-site and MMQ models. The list is now complete and covers all models. The only model not included in '[[M61 skew' ]] which has redundant parameters and is not optimisable anyway.* Added a relaxation dispersion model profiling log file for relax version 3.1.6 vs. 3.1.5. This is the output from the dispersion model profiling master script. It shows that there are almost no speed differences, except for a slight decrease in speed in the '[[CR72 full' ]] model for single spins.

* Inserted an extremely interesting development in [[NS R1rho 2-site]]. If one do a transpose of M0, one can calculate all the matrix evolutions in the start via numpy einsum. Since M0 is in higher a dimensions, one should not do a numpy transpose, but swap/roll the outer M0 6x1 axis. Task #7807 (https://gna.org/task/?7807): Speed-up of dispersion models for clustered analysis.* Shortened the code dramatically for [[NS R1rho 2-site]]. It is possible to calculate all in "one" go, after having the transposed/rolled-back M0 magnetization. Task #7807 (https://gna.org/task/?7807): Speed-up of dispersion models for clustered analysis.* Speeded up the code of [[NS R1rho 2-site]]. This was essential done to numpy einsum, and doing the dot operations in multiple dimensions. It was though necessary to realize, that to do the proper dot product operations, the outer two axis if M0 should be swapped, by rolling the outer axis one back. Task #7807 (https://gna.org/task/?7807): Speed-up of dispersion models for clustered analysis.* Speeded up the code of [[NS R1rho 3-site]]. This was essential done to numpy einsum, and doing the dot operations in multiple dimensions. It was though necessary to realize, that to do the proper dot product operations, the outer two axis if M0 should be swapped, by rolling the outer axis one back. Task #7807 (https://gna.org/task/?7807): Speed-up of dispersion models for clustered analysis.* For model [[NS CPMG 2-site 3D]], the M0 matrix was preformed for higher dimensionality in init of target function. The transposes/rolled axis versions was also initiated. Task #7807 (https://gna.org/task/?7807): Speed-up of dispersion models for clustered analysis.* Swapped the dot product position, when propagating the magnetisation in model [[NS CPMG 2-site 3D]]. This it to try to align to same method as in [[NS R1rho 2-site]]. Task #7807 (https://gna.org/task/?7807): Speed-up of dispersion models for clustered analysis.* Lowered the looping in [[NS CPMG 2-site 3D]], by preforming the initial dot product. Task #7807 (https://gna.org/task/?7807): Speed-up of dispersion models for clustered analysis.* Speeded up [[NS CPMG 2-site 3D]], by preforming the magnetisation. Task #7807 (https://gna.org/task/?7807): Speed-up of dispersion models for clustered analysis.

* Tried to implement using lib.linear_algebra.matrix_power.square_matrix_power instead of matrix_power from numpy in [[NS CPMG 2-site 3D]]. Strangely, then system test: test_hansen_cpmg_data_to_ns_cpmg_2site_3D_full starts to fail. Task #7807 (https://gna.org/task/?7807): Speed-up of dispersion models for clustered analysis.* Changes to unit test of [[NS CPMG 2-site 3D]]. This is after the new initiated M0 matrix in init of target function. Task #7807 (https://gna.org/task/?7807): Speed-up of dispersion models for clustered analysis.* Double speed in [[NS CPMG 2-site star]], after using numpy.linalg.matrix_power instead of the lib version in relax. Task #7807 (https://gna.org/task/?7807): Speed-up of dispersion models for clustered analysis.* Triple speed in [[NS MMQ 2-site]], after using numpy.linalg.matrix_power instead of the lib version in relax. Task #7807 (https://gna.org/task/?7807): Speed-up of dispersion models for clustered analysis.* Small fix for making sure that power is a integer in [[NS MMQ 2-site]]. Following system tests was failing: Relax_disp.test_korzhnev_2005_15n_dq_data, Relax_disp.test_korzhnev_2005_15n_sq_data, Relax_disp.test_korzhnev_2005_15n_zq_data, Relax_disp.test_korzhnev_2005_1h_sq_data, Relax_disp.test_korzhnev_2005_all_data, Relax_disp.test_korzhnev_2005_all_data_disp_speed_bug. They should already be integers, but is now solved. Task #7807 (https://gna.org/task/?7807): Speed-up of dispersion models for clustered analysis.* Comment and spell fixing in [[NS CPMG 2-site 3D]]. Task #7807 (https://gna.org/task/?7807): Speed-up of dispersion models for clustered analysis.* Triple speed in [[NS MMQ 3-site]], after using numpy.linalg.matrix_power instead of the lib version in relax. Task #7807 (https://gna.org/task/?7807): Speed-up of dispersion models for clustered analysis.* Updated the dispersion model profiling comparison of the disp_spin_speed branch vs. relax-3.2.2. This now includes all dispersion models. This shows the large speed increases in the numeric and MMQ models recently obtained. Note that something went wrong with the '[[NS CPMG 2-site 3D full' ]] model for the clustered analysis, most times were around 24 seconds except for the first which was strangely 292 seconds.* Updated the relaxation dispersion model profiling log file for relax version 3.2.2 vs. 3.2.1. This adds the MMQ and 3-site models to the log file. The new information shows that there was a 4.2 times speed up for the '[[MMQ CR72' ]] model between these two relax versions, both for single spins and clustered spins, a much greater improvement than any other of the models.

* Slight speed up of the '[[B14' ]] and '[[B14 full' ]] dispersion models by minimising repetitive maths.

* A very small speed up to the [[CR72 ]] dispersion models by minimising repetitive maths operations. The k_BA and k_AB rates are used to simplify the Psi calculation, dropping from 3 to 2 multiplications and removing a squaring operation. The Dpos and Dneg value calculations have been simplified to drop one multiplication operation. And the calculation of eta_scale / cpmg_frqs now only occurs once rather than twice.

* A very small speed up to the [[MMQ CR72 ]] dispersion model by minimising repetitive maths operations. This matches the recent change for the [[CR72 ]] model, though the Psi calculation was already using the fast form.

* For model [[NS MMQ 3-site]], moved the parameter conversion of dw_AB from target function to lib function. Task #7807 (https://gna.org/task/?7807): Speed-up of dispersion models for clustered analysis.

* Removed unnecessary repetitive calculation of kex**2 in model [[DPL94]]. Task #7807 (https://gna.org/task/?7807): Speed-up of dispersion models for clustered analysis.

* Reverted the deletion of the Relax_disp.test_hansen_cpmg_data_to_lm63_3site system test which occurred in relax 3.2.3. See the thread at http://thread.gmane.org/gmane.science.nmr.relax.scm/21774/focus=6300 for the request that this deletion be reverted. This is the only system test for the '[[LM63 3-site' ]] dispersion model using real data. Having this test allows for better coverage of the code.

* Hard-coded restriction of R1rho extra plotting to model [[DPL94]], [[TP02]], [[TAP03]], [[MP05]], NS_R1RHO_2SITE[[NS R1rho 2-site]]. Sr #3124 (https://gna.org/support/?3124): Grace graphs production for R1rho analysis with R2eff as function of Omega_eff. Sr #3138 (https://gna.org/support/?3138): Interpolating theta through spin-lock offset [Omega], rather than spin-lock field strength [w1].

* Added model '[[No Rex' ]] to system test Relax_disp.test_r1rho_kjaergaard_auto(), to check all graphs are produced. Sr #3124 (https://gna.org/support/?3124): Grace graphs production for R1rho analysis with R2eff as function of Omega_eff. Sr #3138 (https://gna.org/support/?3138): Interpolating theta through spin-lock offset [Omega], rather than spin-lock field strength [w1].

* Changed to the matrix_exponential function for [[NS R1rho 2site2-site]].

* Split the target function of model [[DPL94 ]] into a func_DPL94 and calc_DPL94. This is to prepare for a target function func_DPL94_fit_r1. Sr #3135 (https://gna.org/support/?3135): Optimisation of the R1 relaxation rate for the off-resonance R1rho relaxation dispersion models.

* Added 2 new models, MODEL_NOREX_R1RHO and MODEL_NOREX_R1RHO_FIT_R1. The "NOREX" model is not covering R1rho models. The target function for "NOREX" is calculated as: back_calc = R20 R20 is for R1hro models equivalent to R1rho prime (R1rho'), which for example in the model of [[DPL94 ]] would mean: R1rho = R1rho' But for the "NOREX" case, the return should be R1rho = R1 * cos^2(theta) + (R1rho' + 0) * sin^2(theta). This affects all off-resonance model calculations. These two target functions will be implemented. Bug #22440 (https://gna.org/bugs/?22440): The "NOREX" model is not covering R1rho models. Sr #3135 (https://gna.org/support/?3135): Optimisation of the R1 relaxation rate for the off-resonance R1rho relaxation dispersion models.

* Replaced in auto analysis all instances of '[[No Rex' ]] and 'R2eff' with its equivalent defined variables. Sr #3135 (https://gna.org/support/?3135): Optimisation of the R1 relaxation rate for the off-resonance R1rho relaxation dispersion models.

* Added the equivalent R1 fit models for: [[TP02]], [[TAP03]], [[MP05 ]] and NS_R1RHO_2SITE[[NS R1rho 2-site]]. The R1 fit models will no be implemented for 3-site models, because there will be to many variables. Sr #3135 (https://gna.org/support/?3135): Optimisation of the R1 relaxation rate for the off-resonance R1rho relaxation dispersion models.

* Split target function of model [[TP02]], into a calc and two func_TP02* variants. One target function will use measured R1 values, while one target function will use the fitted R1 values. They will use the same calculation function. Sr #3135 (https://gna.org/support/?3135): Optimisation of the R1 relaxation rate for the off-resonance R1rho relaxation dispersion models.

* Split target function of model [[TAP03]], into a calc and two func_TAP03* variants. One target function will use measured R1 values, while one target function will use the fitted R1 values. They will use the same calculation function. Sr #3135 (https://gna.org/support/?3135): Optimisation of the R1 relaxation rate for the off-resonance R1rho relaxation dispersion models.* Split target function of model [[MP05]], into a calc and two func_MP05* variants. One target function will use measured R1 values, while one target function will use the fitted R1 values. They will use the same calculation function. Sr #3135 (https://gna.org/support/?3135): Optimisation of the R1 relaxation rate for the off-resonance R1rho relaxation dispersion models.

* Fix for nesting kex, when model is [[CR72]], and analysed models is [[LM63]]. Sr #3135 (https://gna.org/support/?3135): Optimisation of the R1 relaxation rate for the off-resonance R1rho relaxation dispersion models.* Fix for nesting kex, when model is [[CR72]], and analysed models is IT99. Sr #3135 (https://gna.org/support/?3135): Optimisation of the R1 relaxation rate for the off-resonance R1rho relaxation dispersion models.

* Removed MODEL_NS_CPMG_2SITE_EXPANDED to be analysed in system test test_hansen_cpmg_data_missing_auto_analysis. The new ordering of models, will make MODEL_NS_CPMG_2SITE_EXPANDED be analysed first, and results copied to model [[CR72]]. This will interfere with the old results. Sr #3135 (https://gna.org/support/?3135): Optimisation of the R1 relaxation rate for the off-resonance R1rho relaxation dispersion models.* Lowered the precision of dw for model [[NS CPMG 2-site expanded]], in system test est_hansen_cpmg_data_auto_analysis_numeric. Model [[NS CPMG 2-site expanded ]] is now analysed before MODEL_CR72, which alter the values a bit. Sr #3135 (https://gna.org/support/?3135): Optimisation of the R1 relaxation rate for the off-resonance R1rho relaxation dispersion models.

* Modified in documentation, that the "[[No Rex" ]] model have one chemical exchange site, namely itself.

* Added a relaxation dispersion example to show how certain literature statements are just utter crap. This follows from http://thread.gmane.org/gmane.science.nmr.relax.scm/22774/focus=6693, and the change http://thread.gmane.org/gmane.science.nmr.relax.scm/22774 which implement such dangerous literature conjectures. To see how a real minimum is excluded from the optimisation space, here for residue :2, execute the R1rho_analysis.py script in relax. This is synthetic data generated with kex = 1e5 assuming the model [[TP02]]. For the case of residue :2, this still produces an optimisable minimum in the space and dispersion curves. However the change blocks optimisation to the minimum.

* Implemented function that determine if any model in the list of all models should be replaced or inserted as the correct '[[No Rex' ]] model. It also translate the R1rho off-resonance model to the corresponding 'R1 fit' models, if R1 is not loaded.

* Inserted return of True/False flags from function which convert models. The flag tells if: flag if '[[No Rex' ]] model for R1rho off-resonance was translated; flag if '[[No Rex' ]] model for R1rho off-resonance was inserted; flag if R1rho off-resonance was translated to 'R1 fit' models if no R1 data was found.

* Inserted into relax_disp auto_analyses, to convert the input models. This will convert/insert the correct '[[No Rex' ]] to the corresponding '[[No Rex' ]] model for R1rho off-resonance models. It will also translate to the corresponding 'R1 fit' model, if no 'R1 data' has been loaded with relax_data.read() function.

* Made the GUI selection of models for relaxation dispersion more simple. After the implementation of a function which will translate the models, the '[[No Rex' ]] model will be converted to the '[[No Rex' ]] model for R1rho off-resonance. Also the corresponding 'R1 fit' model will be chosen instead, if R1 data has not been loaded. This makes the model selection easier in the GUI interface.* Bugfix for Relax_disp.test_bug_21715_clustered_indexerror, where only 'R2eff', '[[No Rex' ]] is analysed. This special case was not tested in the translating function.

* Modified that '[[NS CPMG 2-site expanded' ]] will be preferred before '[[NS CPMG 2-site 3D' ]] and '[[NS CPMG 2-site star']].* Modified the nesting for '[[NS MMQ 3-site linear']]. '[[NS MMQ 3-site linear' ]] should be able to nest from '[[NS MMQ 3-site']].

* Implemented the nesting of parameters from a model with fewer chemical sites when nesting for [[NS R1rho 3-site]].

* Removed results files to allow the Relax_disp.test_r1rho_kjaergaard_missing_r1 system test to pass. These are the test_suite/shared_data/dispersion/Kjaergaard_et_al_2013/check_graphs/mc_2000/ results files for the '[[No Rex' ]] and '[[DPL94' ]] models, as well as the final run. This commit is to allow the test to temporarily pass. It can be reverted once a better solution is discussed and decided upon.

* Merger of the '[[No Rex' ]] and 'No Rex R1rho off res' models in the specific_analyses.relax_disp package. In the 'variables' module, all *_NOREX_R1RHO variables have simply been deleted and the MODEL_LIST_* structures updated. For the 'data' module, the is_r1_optimised() function was modified to catch the '[[No Rex' ]] model and to then use the cdp.exp_type_list structure to determine if the experiment type is EXP_TYPE_R1RHO. This will be modified in the future by using a function for determining if the current experiment is on or off-resonance. The return_r1_data() and return_r1_err_data() functions have also been modified to check if R1 values are fit rather than if the model is in MODEL_LIST_R1RHO_OFF_RES. In the 'model' module, in addition to deleting all *_NOREX_R1RHO variables, the convert_no_rex() function has also been deleted as it no longer serves a purpose. In the 'checks' module, all 'No Rex R1rho off res' model references have been replaced with '[[No Rex']].* Updated the dispersion auto-analysis for the universal '[[No Rex' ]] model. The 'No Rex R1rho off res' references have all been deleted. The model conversion logic is also no longer needed and has been deleted.* Converted the relaxation dispersion GUI interface to the unified '[[No Rex' ]] model. All of the MODEL_NOREX_R1RHO references have simply been deleted.* Converted the relaxation dispersion target function class to the unified '[[No Rex' ]] model design. On top of removing all references to MODEL_NOREX_R1RHO, the aliasing of self.func now checks the experiment type list to determine which target function to use. This is not an ideal solution and will not handle mixed CPMG and R1rho experiment, however neither will the target functions yet. The creation of the off-resonance data structures has also been modified so that they are now R1rho independent. This allows the structures to be properly created while at the same time enabling this code to be compatible with off-resonance CPMG data in the future.

* Updated the '[[No Rex' ]] dispersion model description in the relax manual. The universal nature of the model is now described, including the addition of the off-resonance CPMG and R1rho equations for the absence of chemical exchange. The R1 parameter optimisation is also shortly covered.

* Added model [[DPL94]], to be tested in GUI test Relax_disp.test_r2eff_err_estimate. This shows that the bug is still there. Bug #22541 (https://gna.org/bugs/?22541): The R1 fit flag does not work in the GUI.