Re: [ccp4bb] Xia2 / XDS issues

2014-05-20 Thread Antony Oliver
Dear all, Firstly - many thanks to Kay Diederichs and Graeme Winter. The “memory” error was in fact due to certain diffraction images having very few (weak), if any spots - essentially they were ‘blank’. By excluding these images, and with a combination of Xia2, plus XDS + Aimless, I was finall

Re: [ccp4bb] Xia2 / XDS issues

2014-05-20 Thread Kay Diederichs
Dear Tony, I renamed your LP_01.tmp to INTEGRATE.LP and ran XDSGUI - this shows nicely that after frame 150 things "fall over". So pls try the recommendations in the "Difficult datasets" article of XDSwiki. Normally you should not need to run two processing jobs; just prevent refinement from "

Re: [ccp4bb] Xia2 / XDS issues

2014-05-20 Thread Graeme Winter
Dear Tony, OK, clearly Tim's suggestion is spot on, to remove the offending images from processing (this is easily done by splitting your input xinfo or the automatically generated one, I will copy an example below) I suspect that the "memory error" results from IMAGE IER SCALE NBKG NOVL N

Re: [ccp4bb] Xia2 / XDS issues

2014-05-19 Thread Tim Gruene
-BEGIN PGP SIGNED MESSAGE- Hash: SHA1 Dear Antony, you should check images 189, 190,... XDS only finds 2 strong reflections (NSTRONG). As the LP-file indicates, these are not enough to carry out refinement. My guess is these are blank images - XDS can skip over them if they are not too ma

Re: [ccp4bb] Xia2 / XDS issues

2014-05-19 Thread Antony Oliver
Dear CCP4-ers. Many apologies for the previous post (with attachments). However, it is true - somewhat crappy data, that I can’t seem to reprocess with XDS / xia2. Tony. HI Graeme, Please find below, what I think it is that you need? Files attached, plus relevant text clips,. NB: everythi

Re: [ccp4bb] Xia2 / XDS issues

2014-05-19 Thread Graeme Winter
Dear Tony, Sorry to hear you are having trouble - I have never seen this message before. Please could you send me (off list) the output of the last XDS job ran before this one and (ideally) the XDS.INP file in the offending area? There must be something very odd going on here. Thanks & best wishe

Re: [ccp4bb] Xia2 / XDS issues

2014-05-19 Thread FOOS Nicolas
À : CCP4BB@JISCMAIL.AC.UK Objet : [ccp4bb] Xia2 / XDS issues Dear CCP4-ers. I am (trying) to use Xia2 (svn/Build 4599) to process some diffraction data. However, I am coming across the following issue, which I don’t seem to be able to solve... Integrat

[ccp4bb] Xia2 / XDS issues

2014-05-19 Thread Antony Oliver
Dear CCP4-ers. I am (trying) to use Xia2 (svn/Build 4599) to process some diffraction data. However, I am coming across the following issue, which I don’t seem to be able to solve... Integrating SWEEP1 Status: error "[XDS] cannot allo