Hi Charles,
Some other questions :p
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,
#########
--(selection 1)--
43 LEU HN
--(selection 2)--
ALT1 74 CYSP OS1 , ALT2 74 CYSP OS1 , ALT3 74 CYSP OS1 , ALT4
74 CYSP OS1 , ALT5 74 CYSP OS1 , ALT6 74 CYSP OS1 , ALT7 74 CYSP
OS1 , ALT8 74 CYSP OS1 , ALT9 74 CYSP OS1 , ALT0 74 CYSP OS1
obs 0.9888 ( +/- 0.1651 )| calc 0.000172847 | diff 0.988627
VIOLATED
weight factor : 11.2717
reff : 47.7234
S2angular: 0.985953
S2radial: 0.939499
S2: 0.926302
#########
Besides, how was the criteria mentioned in 2004 Iwahara JACS (1H-Gamma2 >=
2delta for PREs with 1H-Gamma2 >=6; delta < 3.0 /s for PREs with 1H-Gamma2 <
6 /s) chosen? Thanks a lot!
Best wishes,
Jie-rong
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