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Relax 3.1.0

29 bytes added, 09:25, 6 September 2014
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= Description =
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After four years of development by numerous NMR spectroscopists [Morin 2014], the relaxation dispersion analysis in relax is finally ready for release! 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 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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