Dear all, I have collected 2 datasets (space group P1, resolution 1.4) on a bruker machine using Proteum2 v2014.9-0 software. I integrated both datasets with SAINT and would like to continue with Pointless - SCALA - Truncate to finally get*scaled but unmerged data* to be able to calculate CC*, CCanom, .... . Pointless should be able to read .raw data (documentation) andhttp://strucbio.biologie.uni-konstanz.de/ccp4wiki/index.php/Bruker_data. However it fails with the error message Release Date: 6th January 2014 ****************************************************** * * * POINTLESS * * 1.8.17 * * * * Determine Laue group from unmerged intensities * * Phil Evans MRC LMB, Cambridge * * Uses cctbx routines by Ralf Grosse-Kunstleve et al.* * * ****************************************************** Spacegroup information obtained from library file: Logical Name: SYMINFO Filename: /home/georg/ccp4/ccp4-6.4.0/lib/data/syminfo.lib *************************************************************************** * Information from CCP4Interface script *************************************************************************** The program run with command: /home/georg/ccp4/ccp4-6.4.0/bin/pointless has failed with error message pointless: /home/marcin/series-64-dt/checkout/pointless/sca_unmerge.cpp:1201: std::vector SCAIO::SaintRun::MakeBatch(const float&): Assertion `BHeader.num > 0' failed. *************************************************************************** #CCP4I TERMINATION STATUS 0 "pointless: /home/marcin/series-64-dt/checkout/pointless/sca_unmerge.cpp:1201: std::vector SCAIO::SaintRun::MakeBatch(const float&): Assertion `BHeader.num > 0' failed." #CCP4I TERMINATION TIME 26 Dec 2014 23:15:29 #CCP4I MESSAGE Task failed The "strange" thing is that it works with an insulin dataset (using Input reflection filetyp XDS) and that in the Input reflection filetyp one can just choose MTZ, XDS or scalepack, and not SAINT (raw). I would be grateful if somebody could point me in the direction where the problem is or show me an alternative route. Best regards Georg.
-- Mlynek Georg University of Vienna Department of Computational and Structural Biology Max F. Perutz Laboratories Campus Vienna Biocenter 5 level -2 1030 Vienna Austria e-mail: georg.mly...@univie.ac.at mobil: +43 660 42 195 07 office: +43-1-4277-52263
