Dear CCP4 developers, Forgive the posting here, but I can't find the correct contact details for Graeme Winter…
I have just downloaded the latest version of XIA2 (0.3.3.3 build 3479) and tried to integrate a dataset. The program fails with the following error… >>> Build: 3479 XIA2 0.3.3.3 Command line: xia2 -xinfo process.xinfo -spacegroup I212121 ------------------- Autoindexing SWEEP1 -------------------- All possible indexing solutions: oI 80.58 81.88 82.05 90.00 90.00 90.00 oF 80.56 115.93 116.01 90.00 90.00 90.00 mC 80.56 115.94 70.59 90.00 124.74 90.00 Indexing solution: oI 80.58 81.88 82.05 90.00 90.00 90.00 -------------------- Integrating SWEEP1 -------------------- Processed batches 1 to 90 Integration status per image (60/record): ooooooooooooooooooooooooooooooooooooooooooooooooooooooo%%%%% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%% "o" => good "%" => ok "!" => bad rmsd "O" => overloaded "#" => many bad "." => blank "@" => abandoned Mosaic spread: 0.530 < 0.660 < 0.770 Need to rerun the integration... -------------------- Integrating SWEEP1 -------------------- Processed batches 1 to 90 Integration status per image (60/record): ooooooooooooooooooooooooooooooooooooooooooooooo%o%o%o%o%%%%% o%%%%%%%%%%%%%%%%%%%%%%%%%%%%% "o" => good "%" => ok "!" => bad rmsd "O" => overloaded "#" => many bad "." => blank "@" => abandoned Mosaic spread: 0.520 < 0.658 < 0.750 ---------------------- Preparing DATA ---------------------- Status: error "local variable 'reindex_op' referenced before assignment" >>> However, if I run exactly the same command set through an earlier version (0.3.3.1 build 3479) I have no problem… >>> Build: 3479 XIA2 0.3.3.1 Command line: xia2 -xinfo process.xinfo -spacegroup I212121 ------------------- Autoindexing SWEEP1 -------------------- All possible indexing solutions: oI 80.58 81.88 82.05 90.00 90.00 90.00 oF 80.56 115.93 116.01 90.00 90.00 90.00 mC 80.56 115.94 70.59 90.00 124.74 90.00 Indexing solution: oI 80.58 81.88 82.05 90.00 90.00 90.00 -------------------- Integrating SWEEP1 -------------------- Processed batches 1 to 90 Integration status per image (60/record): ooooooooooooooooooooooooooooooooooooooooooooooooooooooo%%%%% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%% "o" => good "%" => ok "!" => bad rmsd "O" => overloaded "#" => many bad "." => blank "@" => abandoned Mosaic spread: 0.530 < 0.660 < 0.770 Need to rerun the integration... -------------------- Integrating SWEEP1 -------------------- Processed batches 1 to 90 Integration status per image (60/record): ooooooooooooooooooooooooooooooooooooooooooooooo%o%o%o%o%%%%% o%%%%%%%%%%%%%%%%%%%%%%%%%%%%% "o" => good "%" => ok "!" => bad rmsd "O" => overloaded "#" => many bad "." => blank "@" => abandoned Mosaic spread: 0.520 < 0.658 < 0.750 ---------------------- Preparing TNKS ---------------------- Likely spacegroups: I212121 Reindexing to first spacegroup setting: I212121 (h,k,l) >>> NB: the program terminates normally. With regards, Tony. --- Dr Antony W Oliver Senior Research Fellow CR-UK DNA Repair Enzymes Group Genome Damage and Stability Centre Science Park Road University of Sussex Falmer, Brighton, BN1 9RQ email: [email protected]<mailto:[email protected]> tel (office): +44 (0)1273 678349 tel (lab): +44 (0)1273 677512
