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Hello Jie-rong-- > > Delta i (eq 14 in 2004 Iwahara JACS) was set to a minimum value of 1.0(/s) > as mentioned in this paper. However, the delta T2 I obtained is measured by > conventional N-15 relaxation methods instead of yours (setGammaI was changed > therein). The delta T2 and error (from two repeated experiments fitting > with several different relay times) are both smaller than 1H delta T2. Any > place I can change this setting? Is that the reason I have some "VIOLATED" > messages? For example, the value w_i is set by you for each restraint in the restraint table - the is the value after the PRE rate. Eq. 14 was used in the paper to choose this value, but you have complete control over this in your calculations. best regards-- Charles -----BEGIN PGP SIGNATURE----- Version: GnuPG v1.4.6 (GNU/Linux) Comment: Processed by Mailcrypt 3.5.8+ <http://mailcrypt.sourceforge.net/> iD8DBQFIHz7NPK2zrJwS/lYRAjUvAJ0YyJqHDNQiJ3o26fECMtrOsPcxfQCeOvz2 XMLIVzD9v5WicnPkyWF+VsU= =Muy7 -----END PGP SIGNATURE-----
