[Date Prev][Date Next][Thread Prev][Thread Next][Date Index][Thread Index]

*To*: ccp4bb@dl.ac.uk*Subject*: Re: Trigonal system*From*: Yong Xiong <yxiong@chemistry.ohio-state.edu>*Date*: Wed, 7 Jul 1999 04:31:54 -0400 (EDT)*Sender*: owner-ccp4bb@dl.ac.uk

*** For details on how to be removed from this list visit the *** *** CCP4 home page http://www.dl.ac.uk/CCP/CCP4/main.html *** Thanks for the suggestions from many. I compared those "solutions" I got and most of them are about the same orientation. However, the positions are different. The deplacement along the helical axis is not the case, neither are the translations along the z-axis. For example, I can see two 'solutions' related by a translation along [011] for half of the unit cell length. BTW, the direction of the helical axes are not aligned to the z-axis. I then checked the twinning possibilities. Sort of confused by the results. The perfect merohedral twinning test results form T. O. Yeates' Twinning Sever as well as the statistics from TRUNCATE give a descending Moment2 ratio from well above 2 to less than 1.5. The partial twinning test give twinning fractions ~0.1 at all three directions (2 along a,b; 2 along a*,b*; 2 along c). I will in clude some statistics below. Hope some experienced eyes can see what is going on. Resolution ; <I2> / <I>2 6.010 ; 2.33 (n = 412) 3.705 ; 2.49 (n = 411) 3.121 ; 5.90 (n = 411) 2.796 ; 2.30 (n = 411) 2.581 ; 1.91 (n = 411) 2.420 ; 1.61 (n = 412) 2.291 ; 1.34 (n = 411) 2.184 ; 1.26 (n = 411) 2.095 ; 1.18 (n = 411) 2.019 ; 1.18 (n = 411) 1.951 ; 1.19 (n = 412) 1.892 ; 1.25 (n = 411) 1.838 ; 1.22 (n = 411) 1.786 ; 1.33 (n = 411) 1.730 ; 1.52 (n = 411) $TABLE: Cumulative intensity distribution: $GRAPHS :Cumulative intensity distribution (Acentric and centric) :N:1,2,3,4,5: $$ Z N(Z)Atheor N(Z)Acen N(Z)Ctheor N(Z)Cen $$ $$ 0.0 0.0 0.0 0.0 0.0 0.1 9.5 2.2 24.8 0.0 0.2 18.1 5.4 34.5 0.0 0.3 25.9 10.3 41.6 0.0 0.4 33.0 15.8 47.3 0.0 0.5 39.3 22.6 52.1 0.0 0.6 45.1 30.1 56.1 0.0 0.7 50.3 39.1 59.7 0.0 0.8 55.1 47.2 62.9 0.0 0.9 59.3 54.6 65.7 0.0 1.0 63.2 62.1 68.3 0.0 Yong

- Prev by Date:
**RE: [Q] Experimental phases only structures** - Next by Date:
**Re: another restrain question** - Prev by thread:
**Trigonal system** - Next by thread:
**Re: R3 Intensity distribution...** - Index(es):