Hi

I  did processed a data set, which seems P3. I did molecular replacement and end up with solution with higher R factor. Then, I did used xtriage to check the data, it gave me possible space group P321 and few twin laws, this space group did not given me any solution , data seems have translation symmetry along z axis?

Also I did processed in P1 and did molecular replacement end up in high R-factor.

I really appreciate if any one has any suggestion what is going on with data?


I given log file from xtriage,
---------------------------------------------------------------------------------------------
| Point group | mean R_used | max R_used | mean R_unused | min R_unused | BIC       | choice |
----------------------------------------------------------------------------------------------
| P 3         | None        | None       | 0.314         | 0.027        | 8.149e+03 |        |
| P 6 2 2     | 0.314       | 0.460      | None          | None         | 1.856e+05 |        |
| P 3 2 1     | 0.027       | 0.027      | 0.446         | 0.432        | 5.667e+03 | <---   |
| P 6         | 0.432       | 0.432      | 0.249         | 0.027        | 1.856e+05 |        |
| P 3 1 2     | 0.460       | 0.460      | 0.242         | 0.027        | 1.859e+05 |        |
----------------------------------------------------------------------------------------------


Statistics depending on twin laws


------------------------------------------------------------------
| Operator  | type | R obs. | Britton alpha | H alpha | ML alpha |
------------------------------------------------------------------
| -h,-k,l   |   M  | 0.432  | -0.009        | 0.046   | 0.022    |
| h,-h-k,-l |   M  | 0.027  | 0.450         | 0.478   | 0.478    |
| -k,-h,-l  |   M  | 0.460  | -0.012        | 0.049   | 0.022    |
------------------------------------------------------------------

Patterson analyses
  - Largest peak height   : 34.261
   (corresponding p value : 7.017e-04)