1,330
edits
Refinement: Difference between revisions
→R-factor does not go down
(→Theory) |
|||
| Line 26: | Line 26: | ||
* [[twinning]] (this happens more often than you'd like, see [http://dx.doi.org/10.1107/S0907444905036759 A. A. Lebedev, A. A. Vagin and G. N. Murshudov (2006) Intensity statistics in twinned crystals with examples from the PDB. Acta Cryst. D62, 83-95]) | * [[twinning]] (this happens more often than you'd like, see [http://dx.doi.org/10.1107/S0907444905036759 A. A. Lebedev, A. A. Vagin and G. N. Murshudov (2006) Intensity statistics in twinned crystals with examples from the PDB. Acta Cryst. D62, 83-95]) | ||
* bad data - check the statistics of the data reduction program | * bad data - check the statistics of the data reduction program | ||
* model incomplete or wrong | * model incomplete or wrong: remove suspicious parts (or just give them an occupancy of 0), refine everything else, and check whether these parts re-appear in the map. | ||
* other refinement options should be exploited, e.g. try TLS refinement | * other refinement options should be exploited, e.g. try TLS refinement | ||