8 Oct
2009
8 Oct
'09
12:24 a.m.
The mtz file generated by phenix.refine using the export_final_f_model=mtz option has 47331 reflections according to mtzdump. However, the "DATA USED IN REFINEMENT" section in the refined PDB says "NUMBER OF REFLECTIONS: 85360"
Do you have anomalous data? The mtz file stores the Miller indices hkl only for a hemisphere. phenix.refine puts F(+) and F(-) together, which roughly doubles the reflection count. Ralf