> WRT the redundancy, I am afraid you have to recompute an approximate value
> yourself using the number of observations and number of unique reflections
> (this is what I do all the time). I suppose one could always write a jiffy
> program to compute the correct values using both files INTEGRATE.HKL and
> XDS_ASCII.HKL, but I haven't done it myself... Yet ?
No need to do that - you can use the xdspub command within XDSi:
http://cc.oulu.fi/~pkursula/xdsi.html
http://strucbio.biologie.uni-konstanz.de/xdswiki/index.php/XDSi
which gives this kind of output:
Final data processing statistics
SPACE_GROUP_NUMBER= 197
UNIT_CELL_CONSTANTS= 78.09 78.09 78.09 90.000 90.000 90.000
INPUT_FILE= ./XDS_ASCII.HKL XDS_ASCII
Unique reflections 11084.
High res. shell 1.65-1.50
Redundancy 4.3( 1.9)
R(sym) 3.1( 53.1)
R(meas) 3.5( 70.7)
R(mergd-F) 7.8(106.0)
I/s(I) 25.1( 1.5)
completeness 86.2( 57.3)
Best, Luca
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Luca Jovine, Ph.D.
Group Leader & EMBO Young Investigator
Karolinska Institutet
Department of Biosciences and Nutrition & Center for Biosciences
Hälsovägen 7, SE-141 57 Huddinge, Sweden
Voice: +46.(0)8.6083-301 FAX: +46.(0)8.6081-501
E-mail: luca.jov...@ki.se
W3: http://jovinelab.org
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