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Molecular dynamics by NMR data analysis
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SVN archive Commit Log
| Commit | Date | |
|---|---|---|
|
[r24926]
by
tlinnet
Added list of R1rho models, which can fit R1 in their equations. sr #3135(https://gna.org/support/?3135): Optimisation of the R1 relaxation rate for the off-resonance R1rho relaxation dispersion models. |
2014-08-04 14:27:38 | Tree |
|
[r24925]
by
tlinnet
Added initial target function for model DPL94_fit_r1. sr #3135(https://gna.org/support/?3135): Optimisation of the R1 relaxation rate for the off-resonance R1rho relaxation dispersion models. |
2014-08-04 14:27:36 | Tree |
|
[r24924]
by
tlinnet
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. |
2014-08-04 14:27:34 | Tree |
|
[r24923]
by
tlinnet
Added model variable MODEL_DPL94_FIT_R1, to relax_disp target function. sr #3135(https://gna.org/support/?3135): Optimisation of the R1 relaxation rate for the off-resonance R1rho relaxation dispersion models. |
2014-08-04 14:27:32 | Tree |
|
[r24922]
by
tlinnet
Added functionality to return r1_fit parameter in loop_parameters() function. sr #3135(https://gna.org/support/?3135): Optimisation of the R1 relaxation rate for the off-resonance R1rho relaxation dispersion models. |
2014-08-04 14:27:30 | Tree |
|
[r24921]
by
tlinnet
Added "r1_fit" as a parameter object. sr #3135(https://gna.org/support/?3135): Optimisation of the R1 relaxation rate for the off-resonance R1rho relaxation dispersion models. |
2014-08-04 14:27:28 | Tree |
|
[r24920]
by
tlinnet
In systemtest Relax_disp.test_r1rho_kjaergaard_missing_r1(), started using the new model MODEL_DPL94_FIT_R1. sr #3135(https://gna.org/support/?3135): Optimisation of the R1 relaxation rate for the off-resonance R1rho relaxation dispersion models. |
2014-08-04 14:27:26 | Tree |
|
[r24919]
by
tlinnet
Added the model "MODEL_DPL94_FIT_R1", to the full list of models. sr #3135(https://gna.org/support/?3135): Optimisation of the R1 relaxation rate for the off-resonance R1rho relaxation dispersion models. |
2014-08-04 14:27:23 | Tree |
|
[r24918]
by
tlinnet
Modified the warning and error messages beeing raised when calling return_r1_data(). Now warnings is raised if no R1 data is available. An error is raised if the R1rho model is expected to have R1 data, and it is not available. That makes systemtest: Relax_disp.test_r1rho_kjaergaard_missing_r1() fail, which is the expected behaviour. sr #3135(https://gna.org/support/?3135): Optimisation of the R1 relaxation rate for the off-resonance R1rho relaxation dispersion models. |
2014-08-02 13:27:40 | Tree |
|
[r24917]
by
tlinnet
Added list of R1rho models, which use R1 in their equations. sr #3135(https://gna.org/support/?3135): Optimisation of the R1 relaxation rate for the off-resonance R1rho relaxation dispersion models. |
2014-08-02 13:27:38 | Tree |
