[phenixbb] Only one solution in AutoMR with very negative LLG
Zhang yu
phenixzyfish at gmail.com
Tue Mar 15 12:13:05 PDT 2011
It indicates that pseudo translational symmetry is present in the dataset. I
didn't do anything when I first try MR. Is that possible I merged two
lattice together during data process, or should I reprocess the data to P1?
I attached the scale log file,
Shell Lower Upper Average Average Norm. Linear Square
limit Angstrom I error stat. Chi**2 R-fac R-fac
50.00 10.29 1030.9 76.3 20.0 1.095 0.105 0.118
10.29 8.18 791.3 52.2 18.1 1.108 0.093 0.101
8.18 7.15 350.8 23.5 11.3 1.160 0.108 0.106
7.15 6.49 195.8 17.1 11.4 1.090 0.138 0.131
6.49 6.03 143.7 15.7 12.1 1.029 0.167 0.154
6.03 5.67 130.8 15.6 13.2 1.101 0.187 0.173
5.67 5.39 129.9 16.8 14.6 1.074 0.198 0.184
5.39 5.16 136.0 17.9 15.6 1.078 0.202 0.186
5.16 4.96 138.3 19.2 16.8 1.044 0.207 0.192
4.96 4.79 150.9 20.7 18.0 1.082 0.209 0.191
4.79 4.64 151.3 21.1 18.8 1.140 0.225 0.210
4.64 4.50 143.1 22.4 20.3 1.070 0.236 0.226
4.50 4.39 127.5 22.5 21.1 1.027 0.262 0.251
4.39 4.28 117.7 22.8 22.3 1.051 0.291 0.279
4.28 4.18 105.8 24.2 23.7 0.988 0.322 0.317
4.18 4.09 93.0 25.0 24.9 0.947 0.365 0.371
4.09 4.01 84.9 25.3 25.2 0.884 0.409 0.403
4.01 3.94 76.6 27.4 27.3 0.843 0.457 0.490
3.94 3.87 66.5 27.5 27.5 0.778 0.505 0.559
3.87 3.80 59.3 28.9 28.8 0.766 0.575 0.696
All reflections 222.9 26.7 19.5 1.037 0.165 0.128
2011/3/15 Francis E Reyes <Francis.Reyes at colorado.edu>
> This is probably the most revealing to me.. What did you do about this when
> you did the MR?
>
>
> On Mar 15, 2011, at 9:45 AM, Zhang yu wrote:
>
> The analyses of the Patterson function reveals a significant off-origin
>> peak that is 56.00 % of the origin peak, indicating pseudo translational
>> symmetry.
>>
>
> ---------------------------------------------
> Francis E. Reyes M.Sc.
> 215 UCB
> University of Colorado at Boulder
>
> gpg --keyserver pgp.mit.edu --recv-keys 67BA8D5D
>
> 8AE2 F2F4 90F7 9640 28BC 686F 78FD 6669 67BA 8D5D
>
>
>
>
>
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