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Re: Trigonal system
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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