Another very nice script to run and collect statistics from XDS is
xdsme from Pierre Legrand http://code.google.com/p/xdsme/ Daniel Le 05/08/2010 16:55, Jovine Luca a écrit :
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 ---------------------------------------------------------------- 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 ----------------------------------------------------------------
