I was working on a model for at 1.9 A using the previous phenix release (650). I was almost finished r-free was 0.197. I installed the newest release and refined again and my r-free went up to 0.228!!. The values for bsol and ksol look significantly different. I do not understand where the biggest difference is coming from... Below I pasted part of the .log files. Old and new, respectively. =============================== refinement start ============================== ----------structure factors based statistics (before refinement)---------- ----------X-ray data---------- |--(resolution: 1.90 - 28.74 A; n_refl. = 32203)------------------------------| | | | r_work= 0.1747 r_free= 0.1967 ksol= 0.40 Bsol= 39.70 scale= 0.064 | | | | overall anisotropic scale matrix (Cartesian basis; B11,B22,B33,B12,B13,B23):| | (-1.65,-1.65,3.31,-0.00,0.00,0.00); trace/3= -0.00 | | | | maximum likelihood estimate for coordinate error: 0.21 A | | x-ray target function (ml) for work reflections: 2.567485 | =============================== refinement start ============================== ----------structure factors based statistics (before refinement)---------- ----------X-ray data---------- |--(resolution: 1.90 - 28.74 A; n_refl. = 34277)------------------------------| | | | r_work= 0.1911 r_free= 0.2279 ksol= 0.40 Bsol= 59.62 scale= 0.063 | | | | overall anisotropic scale matrix (Cartesian basis; B11,B22,B33,B12,B13,B23):| | (-1.73,-1.73,3.47,0.00,0.00,-0.00); trace/3= 0.00 | | | | maximum likelihood estimate for coordinate error: 0.55 A | | x-ray target function (ml) for work reflections: 2.591014 | |-----------------------------------------------------------------------------| -- Yuri Pompeu