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DPL94

29 bytes removed, 18:27, 21 October 2015
Lots of editing including using parameter templates, addition of a {{note}}, and link and formatting improvements.
=== Essentials ===
 {{note|{{:R1}} should be provided in rad/s.}} It is essential to read in <math>R_{1{:R1}}</math> values before starting a calculation:<br>Note, R1 should be provided in rad/s.
<source lang="python">
relax_data.read(ri_id='R1', ri_type='R1', frq=cdp.spectrometer_frq_list[0], file='R1_values.txt', mol_name_col=1, res_num_col=2, res_name_col=3, spin_num_col=4, spin_name_col=5, data_col=6, error_col=7)
Which means:
# <math>R_{1\rho{:R1rhoprime}}'</math> = spin.r2 (Fitted)# <math>R_{1\rho{:R1rho}}</math> = spin.r2eff (Back calculated)# <math>\Phi_{ex{:Phiex}}</math> = spin.phi_ex (Fitted)# <math>k_{ex{:kex}}</math> = spin.kex (Fitted)# <math>R_{1{:R1}}</math> = spin.ri_data['R1'] (Loaded)
Please also see this thread: http://thread.gmane.org/gmane.science.nmr.relax.devel/5164
==== The R1rho: R2 or R2eff as function of effective field in rotating frame: w_eff ====
'''Discussion:''' <br>
It is clear that there is no real name for the pseudo-parameter. It looks like that $R_{\text{eff:Reff}}$ was Art's original way of denoting this and that he has now changed to $R_{2{:R2}}$ instead. <br>But if one look at the reference for the [[TP02|TP02 dispersion model [[TP02]], one will see yet another notation:
Here $R_{2{:R2}}$ does not contain the $R_{ex{:Rex}}$ contribution. Also, $R_{\text{eff:Reff}}$ is absent of $R_{ex{:Rex}}$. <br>But in Art's Protein Science paper (Ref [5]), the definition $R_{2{:R2}} = R^{0{:Rzero2}}_2 + R_{ex{:Rex}}$ is used. The [[MP05|MP05 model reference ]] also does not use $R_{\text{eff:Reff}}$ [[MP05]].
The $R_{\text{eff:Reff}}$ parameter name is confusing and it seems to have been dropped from 2005 onwards. The $R_{\text{eff:Reff}}$ name appears to be specific to Art Palmer's group and as he himself has dropped it, then it would be best to avoid it too.
Ref [2], Equation 27. Here the calculated value is noted as: R_eff: $<math>R_{\text{eff}} = R^{0}_2 + R_{ex} = R_{1\rho}' + R_{ex} = R_{1\rho} / \sin^2(\theta) - R_1 / \tan^2(\theta)$ </math> <br>Ref [3], Equation 20. Figure 11+16, would be the reference. Here the calculated value is noted as: R_2: $<math>R_{2} = R_{1\rho} / \sin^2(\theta) - R_1 / \tan^2(\theta)$</math>. <br>Ref [4], Equation 43. $<math>R_{\text{eff}} = R_{1\rho} / \sin^2(\theta) - R_1 / \tan^2(\theta)$ </math> <br>Ref [5], Material and Methods, page 740. Figure 4 would be the wished graphs. Here the calculated value is noted as: R_2: $<math>R_{2} = R^{0}_2 + R_{ex}$</math>
The following suggestions for the definition of the pseudo-parameters, which can be extracted, is then
# $: <math>R_2 = R^{0}_2 + R_{ex} = R_{1\rho}' + R_{ex} = R_{1\rho} / \sin^2(\theta) - R_1 / \tan^2(\theta) = \frac{R_{1\rho} - R_1\cos^2(\theta)}{\sin^2(\theta)}$</math>
== Reference ==
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