Dear CCP4bb members, I have a dataset of 3A, twinned data (twin fraction 0.15) set of space group P6222, I solved the structure by phaser (TFZ>10, LLG>1000) with space group P32 and build model to Rfree/R 30% 26%. I then tried twin refinement in Refmac, after I tried amplitude based refine the Rfree/R drops to 24% 17% with output files of .mtz map, .pdb and .cif. Everything is normal in amplitude based refine.
I also tried intensity based twin refine, the log of Refmac shows the process is successful (I attach below) but only .cif is in output, I could not find .mtz and .pdb (I even check the path but I still could not find the files), in addition, there is no report of Rfree/R in the results panel: ************************************************************************** * Information from CCP4Interface script *************************************************************************** Writing final coordinates (XYZOUT) to XXX.pdb *************************************************************************** *************************************************************************** * Information from CCP4Interface script *************************************************************************** Writing final phases (HKLOUT) to XXX.mtz *************************************************************************** #CCP4I TERMINATION STATUS 1 #CCP4I TERMINATION TIME 02 Mar 2017 18:10:04 #CCP4I TERMINATION OUTPUT_FILES XXX.cif #CCP4I MESSAGE Task completed successfully Is this a bug? I use CCP4 7.0.030 in ubuntu.
