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Relax 3.1.0

13 bytes added, 21:55, 6 September 2014
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After four years of development by numerous NMR spectroscopists, the relaxation dispersion analysis in relax is finally ready for release [Morin 2014]! This support is complete and includes almost all analytic and numeric dispersion models in existence. These have been labelled as [[R2eff]], [[No Rex]], [[LM63]] [Luz and Meiboom 1963], [[LM63 3-site]] [Luz and Meiboom 1963], [[CR72]] [Carver and Richards 1972], [[IT99]] [Ishima and Torchia 1999], [[TSMFK01]] [Tollinger et al., 2001], [[NS CPMG 2-site expanded]], [[NS CPMG 2-site 3D]], [[NS CPMG 2-site star]], [[M61]] [Meiboom 1961], [[DPL94]] [Davis et al., 1994], [[TP02]] [Trott and Palmer 2002], [[TAP03]] [Trott et al., 2003], [[MP05]] [Miloushev and Palmer 2005], [[NS R1rho 2-site]], [[MQ CR72]], and [[MMQ 2-site]], mainly named after the authors and publication date. It includes support for single, zero, double, and multiple quantum CPMG data, including combined proton-heteronuclear data, and off-resonance R1rho R<sub>1&rho;</sub> data. An automated protocol has been developed to simplify the analysis and a GUI has been designed around this auto-analysis. Calculations have been [[OpenMPI|parallelised]] at the spin cluster and Monte Carlo simulation level for speed.
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