Difference between revisions of "CR72"
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− | <math>k_{\textrm{EX}}</math> is the chemical exchange rate constant, | + | <math>k_{\textrm{EX}}</math> is the chemical exchange rate constant, <math>p_A</math> and <math>p_B</math> are the populations of states A and B, and <math>\Delta \omega</math> is the chemical shift difference between the two states in ppm. |
== Parameters == | == Parameters == |
Revision as of 18:14, 28 April 2014
The Carver and Richards 1972 2-site relaxation dispersion model for SQ CPMG-type data for most time scales whereby the simplification $R_{2A}^0$ = $R_{2B}^0$ is assumed. This model is labelled as CR72 in relax.
Equation
Please see the summary of the model parameters here.
[math] R_{2,\textrm{eff}} = \frac{R_2^A+R_2^B+k_{\textrm{EX}}}{2} - \nu_{\textrm{cpmg}} \cosh^{-1} (D_+\cosh(\eta_+) - D_-\cos(\eta_-)) [/math]
Which have the following definitions
[math] \zeta = 2 \Delta \omega \, (R_2^A - R_2^B - p_A k_{\textrm{EX}} + p_B k_{\textrm{EX}}) \\ \Psi = (R_2^A - R_2^B - p_A k_{\textrm{EX}} + p_B k_{\textrm{EX}})^2 - \Delta \omega^2 + 4 p_A p_B k_{\textrm{ex}}^2 \\ \eta_+ = \frac{\sqrt[3]{4}}{\nu_{\textrm{cpmg}}}\sqrt{+\Psi + \sqrt{\Psi^2 + \zeta^2}} \\ \eta_- = \frac{\sqrt[3]{4}}{\nu_{\textrm{cpmg}}}\sqrt{-\Psi + \sqrt{\Psi^2 + \zeta^2}} [/math]
[math]k_{\textrm{EX}}[/math] is the chemical exchange rate constant, [math]p_A[/math] and [math]p_B[/math] are the populations of states A and B, and [math]\Delta \omega[/math] is the chemical shift difference between the two states in ppm.
Parameters
The CR72 model has the parameters {$R_2^0$, $...$, $p_A$, $\Delta\omega$, $k_{ex}$}.
Reference
The reference for the CR72 model is:
- Carver, J. and Richards, R. (1972). General 2-site solution for chemical exchange produced dependence of T2 upon Carr-Purcell pulse separation. J. Magn. Reson., 6(1), 89-105. (10.1016/0022-2364(72)90090-X).
Related models
The CR72 model is a parametric restriction of the CR72 full model.
Links
The implementation of the CR72 model in relax can be seen in the: