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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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