 |
 |
HKL2000 does not have an "observed criterion sigma (F)" since Scalepack deals with intensities. Leave that entry blank. Scalepack uses observed criterion sigma (I) = -3 On question #2 you always want to quote the statistics (completeness, Rsym, I/sigI etc) for the highest resolution shell but I'm not sure it makes any sense to report it for the lowest resolution shell unless your data is unusually incomplete there. The default for PDB REMARK 200 is just the high resolution shell and the overall values for the entire dataset. Also be aware that last time I checked the "I/sigI" reported by Scalepack in the log file is <I>/<sigma(I)> and not <I/sigma(I)> for the shell. The PDB format in REMARK 200 wants the latter. One of these days one hopes RCSB might include Rmeas in REMARK 200. Phil Jeffrey Princeton On 7/31/12 8:54 AM, Faisal Tarique wrote: > Dear all > > i have two basic queries > > 1) i have processed my data in HKL 2000 and during pdb submission i need > to know the value of observed criterion sigma (F) and observed criterion > sigma (I). > > 2) during entering data in category resolution shell whether one needs > to mention the statistics of each and every resolution shell or only two > entries i.e. the maximum resolution and minimum resolution entry is > enough in the whole columns. > > -- > Regards > > Faisal > School of Life Sciences > JNU >