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Imports: sqrt
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Diffusional correlation times for isotropic diffusion. t0 = tm |
Partial derivatives of the diffusional correlation times. The tm partial derivatives are: dt0 --- = 1 dtm |
Diffusional correlation times. The equations for the parameters {Dper, Dpar} are: 1 t0 = ----- 6Dper 1 t1 = ------------ 5Dper + Dpar 1 t2 = ------------- 2Dper + 4Dpar The equations for the parameters {Diso, Da} are: t0 = 1/6 (Diso - Da)**-1 t1 = 1/6 (Diso - Da/2)**-1 t2 = 1/6 (Diso + Da)**-1 The diffusion parameter set in data.diff_params is {tm, Da, theta, phi}. |
Diffusional correlation time gradients. tm partial derivatives ~~~~~~~~~~~~~~~~~~~~~~ dt0 1 dDiso --- = - - ----- (Diso - Da)**-2 dtm 6 dtm dt1 1 dDiso --- = - - ----- (Diso - Da/2)**-2 dtm 6 dtm dt2 1 dDiso --- = - - ----- (Diso + Da)**-2 dtm 6 dtm dDiso ----- = -1/6 * tm**-2 dtm Da partial derivatives ~~~~~~~~~~~~~~~~~~~~~~ dt0 --- = 1/6 (Diso - Da)**-2 dDa dt1 --- = 1/12 (Diso - Da/2)**-2 dDa dt2 --- = -1/6 (Diso + Da)**-2 dDa The diffusion parameter set in data.diff_params is {tm, Da, theta, phi}. |
Diffusional correlation time Hessians. tm-tm partial derivatives ~~~~~~~~~~~~~~~~~~~~~~~~~ d2t0 1 / dDiso \ 2 1 d2Diso ---- = - | ----- | (Diso - Da)**-3 - - ------ (Diso - Da)**-2 dtm2 3 \ dtm / 6 dtm2 d2t1 1 / dDiso \ 2 1 d2Diso ---- = - | ----- | (Diso - Da/2)**-3 - - ------ (Diso - Da/2)**-2 dtm2 3 \ dtm / 6 dtm2 d2t2 1 / dDiso \ 2 1 d2Diso ---- = - | ----- | (Diso + Da)**-3 - - ------ (Diso + Da)**-2 dtm2 3 \ dtm / 6 dtm2 d2Diso ------ = 1/3 * tm**-3 dtm2 tm-Da partial derivatives ~~~~~~~~~~~~~~~~~~~~~~~~~ d2t0 1 dDiso ------- = - - ----- (Diso - Da)**-3 dtm.dDa 3 dtm d2t1 1 dDiso ------- = - - ----- (Diso - Da/2)**-3 dtm.dDa 6 dtm d2t2 1 dDiso ------- = - ----- (Diso + Da)**-3 dtm.dDa 3 dtm Da-Da partial derivatives ~~~~~~~~~~~~~~~~~~~~~~~~~ d2t0 ---- = 1/3 (Diso - Da)**-3 dDa2 d2t1 ---- = 1/12 (Diso - Da/2)**-3 dDa2 d2t2 ---- = 1/3 (Diso + Da)**-3 dDa2 The diffusion parameter set in data.diff_params is {tm, Da, theta, phi}. |
Diffusional correlation times. The equations for the parameters {Diso, Da, Dr} are: t-2 = 1/6 (Diso + Da)**-1 t-1 = 1/6 (Diso - (Da + Dr)/2)**-1 t0 = 1/6 (Diso - mu)**-1 t1 = 1/6 (Diso - (Da - Dr)/2)**-1 t2 = 1/6 (Diso + mu)**-1 where: __________________ mu = \/ Da**2 + Dr**2 / 3 The diffusion parameter set in data.diff_params is {tm, Da, Dr, alpha, beta, gamma}. |
Diffusional correlation time gradients. tm partial derivatives ~~~~~~~~~~~~~~~~~~~~~~ dt-2 1 dDiso ---- = - - ----- (Diso + Da)**-2 dtm 6 dtm dt-1 1 dDiso ---- = - - ----- (Diso - (Da + Dr)/2)**-2 dtm 6 dtm dt0 1 dDiso --- = - - ----- (Diso - mu)**-2 dtm 6 dtm dt1 1 dDiso --- = - - ----- (Diso - (Da - Dr)/2)**-2 dtm 6 dtm dt2 1 dDiso --- = - - ----- (Diso + mu)**-2 dtm 6 dtm dDiso ----- = -1/6 * tm**-2 dtm Da partial derivatives ~~~~~~~~~~~~~~~~~~~~~~ dt-2 ---- = -1/6 (Diso + Da)**-2 dDa dt-1 ---- = 1/12 (Diso - (Da + Dr)/2)**-2 dDa dt0 --- = 1/6 Da/mu (Diso - mu)**-2 dDa dt1 --- = 1/12 (Diso - (Da - Dr)/2)**-2 dDa dt2 --- = -1/6 Da/mu (Diso + mu)**-2 dDa Dr partial derivatives ~~~~~~~~~~~~~~~~~~~~~~ dt-2 ---- = 0 dDr dt-1 ---- = 1/12 (Diso - (Da + Dr)/2)**-2 dDr dt0 --- = 1/18 Dr/mu (Diso - mu)**-2 dDr dt1 --- = -1/12 (Diso - (Da - Dr)/2)**-2 dDr dt2 --- = -1/18 Dr/mu (Diso + mu)**-2 dDr The diffusion parameter set in data.diff_params is {tm, Da, Dr, alpha, beta, gamma}. |
Diffusional correlation time Hessians. tm-tm partial derivatives ~~~~~~~~~~~~~~~~~~~~~~~~~ d2t-2 1 / dDiso \ 2 1 d2Diso ----- = - | ----- | (Diso + Da)**-3 - - ------ (Diso + Da)**-2 dtm2 3 \ dtm / 6 dtm2 d2t-1 1 / dDiso \ 2 1 d2Diso ----- = - | ----- | (Diso - (Da + Dr)/2)**-3 - - ------ (Diso - (Da + Dr)/2)**-2 dtm2 3 \ dtm / 6 dtm2 d2t0 1 / dDiso \ 2 1 d2Diso ---- = - | ----- | (Diso - mu)**-3 - - ------ (Diso - mu)**-2 dtm2 3 \ dtm / 6 dtm2 d2t1 1 / dDiso \ 2 1 d2Diso ---- = - | ----- | (Diso - (Da - Dr)/2)**-3 - - ------ (Diso - (Da - Dr)/2)**-2 dtm2 3 \ dtm / 6 dtm2 d2t2 1 / dDiso \ 2 1 d2Diso ---- = - | ----- | (Diso + mu)**-3 - - ------ (Diso + mu)**-2 dtm2 3 \ dtm / 6 dtm2 d2Diso ------ = 1/3 * tm**-3 dtm2 tm-Da partial derivatives ~~~~~~~~~~~~~~~~~~~~~~~~~ d2t-2 1 dDiso ------- = - ----- (Diso + Da)**-3 dtm.dDa 3 dtm d2t-1 1 dDiso ------- = - - ----- (Diso - (Da + Dr)/2)**-3 dtm.dDa 6 dtm d2t0 1 dDiso Da ------- = - - ----- -- (Diso - mu)**-3 dtm.dDa 3 dtm mu d2t1 1 dDiso ------- = - - ----- (Diso - (Da - Dr)/2)**-3 dtm.dDa 6 dtm d2t2 1 dDiso Da ------- = - ----- -- (Diso + mu)**-3 dtm.dDa 3 dtm mu tm-Dr partial derivatives ~~~~~~~~~~~~~~~~~~~~~~~~~ d2t-2 ------- = 0 dtm.dDr d2t-1 1 dDiso ------- = - - ----- (Diso - (Da + Dr)/2)**-3 dtm.dDr 6 dtm d2t0 1 dDiso Dr ------- = - - ----- -- (Diso - mu)**-3 dtm.dDr 9 dtm mu d2t1 1 dDiso ------- = - ----- (Diso - (Da - Dr)/2)**-3 dtm.dDr 6 dtm d2t2 1 dDiso Dr ------- = - ----- -- (Diso + mu)**-3 dtm.dDr 9 dtm mu Da-Da partial derivatives ~~~~~~~~~~~~~~~~~~~~~~~~~ d2t-2 ----- = 1/3 (Diso + Da)**-3 dDa2 d2t-1 ----- = 1/12 (Diso - (Da + Dr)/2)**-3 dDa2 d2t0 1 Da**2 1 / Da**2 \ ---- = - ----- (Diso - mu)**-3 - --- | ----- - 1 | (Diso - mu)**-2 dDa2 3 mu**2 6mu \ mu**2 / d2t1 ---- = 1/12 (Diso - (Da - Dr)/2)**-3 dDa2 d2t2 1 Da**2 1 / Da**2 \ ---- = - ----- (Diso + mu)**-3 + --- | ----- - 1 | (Diso + mu)**-2 dDa2 3 mu**2 6mu \ mu**2 / Da-Dr partial derivatives ~~~~~~~~~~~~~~~~~~~~~~~~~ d2t-2 ------- = 0 dDa.dDr d2t-1 ------- = 1/12 (Diso - (Da + Dr)/2)**-3 dDa.dDr d2t0 1 Da.Dr 1 Da.Dr ------- = - ----- (Diso - mu)**-3 - -- ----- (Diso - mu)**-2 dDa.dDr 9 mu**2 18 mu**3 d2t1 ------- = -1/12 (Diso - (Da - Dr)/2)**-3 dDa.dDr d2t2 1 Da.Dr 1 Da.Dr ------- = - ----- (Diso + mu)**-3 + -- ----- (Diso + mu)**-2 dDa.dDr 9 mu**2 18 mu**3 Dr-Dr partial derivatives ~~~~~~~~~~~~~~~~~~~~~~~~~ d2t-2 ----- = 0 dDr2 d2t-1 ----- = 1/12 (Diso - (Da + Dr)/2)**-3 dDr2 d2t0 1 Dr**2 1 / Dr**2 \ ---- = -- ----- (Diso - mu)**-3 - ---- | ------ - 1 | (Diso - mu)**-2 dDr2 27 mu**2 18mu \ 3mu**2 / d2t1 ---- = 1/12 (Diso - (Da - Dr)/2)**-3 dDr2 d2t2 1 Dr**2 1 / Dr**2 \ ---- = -- ----- (Diso + mu)**-3 + ---- | ------ - 1 | (Diso + mu)**-2 dDr2 27 mu**2 18mu \ 3mu**2 / The diffusion parameter set in data.diff_params is {tm, Da, Dr, alpha, beta, gamma}. |
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