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
