Michele Lunelli wrote:
Dear all,I'm a bit confused from the output of the CORRECT step in XDS. In one of the first tables I can read the mean I/sigma for each resolution shell, but these values are much different from the I/sigma reported in the table at the end of the output files, titled "completeness and quality of data set" for the full data range with signal/noise > -3.0. For example, from the first table I have I/sigma = 2 at 3.6 A, while from the second table I have I/sigma = 2 at 2.8 A! What is exactly the difference between the two values? And which one is reliable to decide the resolution cutoff?Thank you in advance, Michele Lunelli MPI for Infection Biology Berlin - Germany
Michele,the first table, which is long and fine-grained in resolution, has (citing CORRECT.LP):
I/Sigma = mean intensity/Sigma of a reflection in shelland is thus talking about individual reflections _before_ merging symmetry equivalents.
Later tables have (again citing CORRECT.LP):
I/SIGMA = mean of intensity/Sigma(I) of unique reflections
(after merging symmetry-related observations)
and are thus giving statistics _after_ merging.
The latter tables are suitable for deciding about the resol cutoff.
HTH,
Kay
--
Kay Diederichs http://strucbio.biologie.uni-konstanz.de
email: [EMAIL PROTECTED] Tel +49 7531 88 4049 Fax 3183
Fachbereich Biologie, Universität Konstanz, Box M647, D-78457 Konstanz
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