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Relax 3.3.0

24 bytes added, 07:43, 8 September 2014
m
Equation formatting.
* Added new variable, for models which has parameters with mixed &delta;&omega;, and has four variables [https://gna.org/support/?3135 Sr #3135]: Optimisation of the R<sub>1</sub> relaxation rate for the off-resonance R<sub>1&rho;</sub> relaxation dispersion models.
* Added to relax_disp auto_analyses, that R1_fit should be plotted and written out. [https://gna.org/support/?3135 Sr #3135]: Optimisation of the R<sub>1</sub> relaxation rate for the off-resonance R<sub>1&rho;</sub> relaxation dispersion models.
* Added 2 new models, MODEL_NOREX_R1RHO and MODEL_NOREX_R1RHO_FIT_R1. The "NOREX" model is not covering R<sub>1&rho;</sub> models. The target function for "NOREX" is calculated as: back_calc = R<sub>2</sub><sup>0</sup>. R<sub>2</sub><sup>0</sup> is for R<sub>1&rho;</sub> models equivalent to R<sub>1&rho;</sub> prime (R<sub>1&rho;</sub>'), which for example in the model of [[DPL94]] would mean: R<sub>1&rho;</sub> = R<sub>1&rho;</sub>' But for the "NOREX" case, the return should be R<sub>1&rho;</sub> = R<sub>1</sub> * cos^<sup>2</sup>(&theta;) + (R<sub>1&rho;</sub>' + 0) * sin^<sup>2</sup>(&theta;). This affects all off-resonance model calculations. These two target functions will be implemented. [https://gna.org/bugs/?22440 Bug #22440]: The "NOREX" model is not covering R<sub>1&rho;</sub> models. [https://gna.org/support/?3135 Sr #3135]: Optimisation of the R<sub>1</sub> relaxation rate for the off-resonance R<sub>1&rho;</sub> relaxation dispersion models.
* Made the model MODEL_NOREX_R1RHO_FIT_R1, be tested in system test Relax_disp.test_r1rho_kjaergaard_missing_r1(). [https://gna.org/bugs/?22440 Bug #22440]: The "NOREX" model is not covering R<sub>1&rho;</sub> models. [https://gna.org/support/?3135 Sr #3135]: Optimisation of the R<sub>1</sub> relaxation rate for the off-resonance R<sub>1&rho;</sub> relaxation dispersion models.
* Added models MODEL_NOREX_R1RHO and MODEL_NOREX_R1RHO_FIT_R1 to MODEL_LIST_FULL. [https://gna.org/bugs/?22440 Bug #22440]: The "NOREX" model is not covering R<sub>1&rho;</sub> models. [https://gna.org/support/?3135 Sr #3135]: Optimisation of the R<sub>1</sub> relaxation rate for the off-resonance R<sub>1&rho;</sub> relaxation dispersion models.
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