I am using Refmac on a windows xp system. On Mon, Jun 22, 2009 at 12:05 PM, Jiamu Du <[email protected]> wrote:
> Dear all, > I am using Refmac version 5.5.0088. The data are twinning, so the key word > 'twin' was added into the scripts. > The refinement result is as pasted below: > > REMARK 3 REFINEMENT. > REMARK 3 PROGRAM : REFMAC 5.5.0088 > REMARK 3 AUTHORS : MURSHUDOV,VAGIN,DODSON > REMARK 3 > REMARK 3 REFINEMENT TARGET : MAXIMUM LIKELIHOOD > REMARK 3 > REMARK 3 DATA USED IN REFINEMENT. > REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 2.30 > REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 20.00 > REMARK 3 DATA CUTOFF (SIGMA(F)) : NONE > REMARK 3 COMPLETENESS FOR RANGE (%) : 86.58 > REMARK 3 NUMBER OF REFLECTIONS : 32643 > REMARK 3 > REMARK 3 FIT TO DATA USED IN REFINEMENT. > REMARK 3 CROSS-VALIDATION METHOD : THROUGHOUT > REMARK 3 FREE R VALUE TEST SET SELECTION : RANDOM > REMARK 3 R VALUE (WORKING + TEST SET) : 0.22929 > REMARK 3 R VALUE (WORKING SET) : 0.22749 > REMARK 3 FREE R VALUE : 0.26464 > REMARK 3 FREE R VALUE TEST SET SIZE (%) : 4.9 > REMARK 3 FREE R VALUE TEST SET COUNT : 1689 > REMARK 3 > REMARK 3 FIT IN THE HIGHEST RESOLUTION BIN. > REMARK 3 TOTAL NUMBER OF BINS USED : 20 > REMARK 3 BIN RESOLUTION RANGE HIGH : 2.296 > REMARK 3 BIN RESOLUTION RANGE LOW : 2.355 > REMARK 3 REFLECTION IN BIN (WORKING SET) : 0 > REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : 0.00 > REMARK 3 BIN R VALUE (WORKING SET) : 0.000 > REMARK 3 BIN FREE R VALUE SET COUNT : 0 > REMARK 3 BIN FREE R VALUE : 0.000 > REMARK 3 > REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. > > Why are the value of REFLECTION IN BIN, BIN COMPLETENESS, BIN FREE R VALUE > SET COUNT, BIN FREE R VALUE all zero? > Another question is that, my data is of 2.38 angstron resolutiom, but > refinement result lists a high resolution of 2.3 angstrom. > If I did not add the keyword 'twin', all the results are normal. > > Thanks and best wishes. > > -- > Jiamu Du, Ph.D. > State Key Laboratory of Molecular Biology > Institute of Biochemistry and Cell Biology > Shanghai Institutes for Biological Sciences > Chinese Academy of Sciences > 320 Yue-Yang Road > Shanghai 200031 > P. R. China > Tel: +86-21-5492-1117 > E-mail: [email protected] > -- Jiamu Du, Ph.D. State Key Laboratory of Molecular Biology Institute of Biochemistry and Cell Biology Shanghai Institutes for Biological Sciences Chinese Academy of Sciences 320 Yue-Yang Road Shanghai 200031 P. R. China Tel: +86-21-5492-1117 E-mail: [email protected]
