Difference between revisions of "CR72 full"
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The full Carver and Richards 1972 2-site relaxation dispersion model for [[SQ CPMG-type data]] for most time scales. This model is labelled as '''CR72 full''' in [[Relaxation dispersion citation for relax|relax]]. | The full Carver and Richards 1972 2-site relaxation dispersion model for [[SQ CPMG-type data]] for most time scales. This model is labelled as '''CR72 full''' in [[Relaxation dispersion citation for relax|relax]]. | ||
| + | |||
| + | == Equation == | ||
| + | [http://www.nmr-relax.com/manual/Dispersion_model_summary.html Please see the summary of the model parameters here.] | ||
| + | |||
| + | * relax manual http://www.nmr-relax.com/manual/reduced_CR72_2_site_CPMG_model.html | ||
| + | * relaxation dispersion page of the relax website http://www.nmr-relax.com/analyses/relaxation_dispersion.html#CR72 | ||
| + | |||
| + | <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{1}{\sqrt{2^3}\nu_{\textrm{cpmg}}}\sqrt{+\Psi + \sqrt{\Psi^2 + \zeta^2}} \\ | ||
| + | \eta_- = \frac{}{\sqrt{2^3}\nu_{\textrm{cpmg}}}\sqrt{-\Psi + \sqrt{\Psi^2 + \zeta^2}} \\ | ||
| + | D_+=\frac{1}{2}\left(1+\frac{\Psi+2\Delta \omega^2}{\sqrt{\Psi^2+z^2}} \right) \\ | ||
| + | D_-=\frac{1}{2}\left(-1+\frac{\Psi+2\Delta \omega^2}{\sqrt{\Psi^2+z^2}} \right) | ||
| + | </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 == | == Parameters == | ||
Revision as of 09:16, 3 May 2014
The full Carver and Richards 1972 2-site relaxation dispersion model for SQ CPMG-type data for most time scales. This model is labelled as CR72 full in relax.
Equation
Please see the summary of the model parameters here.
- relax manual http://www.nmr-relax.com/manual/reduced_CR72_2_site_CPMG_model.html
- relaxation dispersion page of the relax website http://www.nmr-relax.com/analyses/relaxation_dispersion.html#CR72
[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{1}{\sqrt{2^3}\nu_{\textrm{cpmg}}}\sqrt{+\Psi + \sqrt{\Psi^2 + \zeta^2}} \\ \eta_- = \frac{}{\sqrt{2^3}\nu_{\textrm{cpmg}}}\sqrt{-\Psi + \sqrt{\Psi^2 + \zeta^2}} \\ D_+=\frac{1}{2}\left(1+\frac{\Psi+2\Delta \omega^2}{\sqrt{\Psi^2+z^2}} \right) \\ D_-=\frac{1}{2}\left(-1+\frac{\Psi+2\Delta \omega^2}{\sqrt{\Psi^2+z^2}} \right) [/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 full model has the parameters {$R_{2A}^0$, $R_{2B}^0$, $...$, $p_A$, $\Delta\omega$, $k_{ex}$}.
Reference
The reference for the CR72 full 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 this model.
Links
The implementation of the CR72 full model in relax can be seen in the:
