I might be completely wrong here but doesn’t it bother that the number of rejected reflections shown in log file is ~83000? It shows, at least to me, that either indexing step is far from being correct or crystal is not really good enough due to defects.
Vaheh Oganesyan www.medimmune.com From: CCP4 bulletin board [mailto:CCP4BB@JISCMAIL.AC.UK] On Behalf Of Xiao Lei Sent: Saturday, January 10, 2015 7:08 PM To: CCP4BB@JISCMAIL.AC.UK Subject: Re: [ccp4bb] CCP4 Scalepack2mtz problem: Anisotropy correction failed Hi Eleanor, Thanks for the input, I attach the scale log file here. On Sat, Jan 10, 2015 at 2:16 PM, Eleanor Dodson <eleanor.dod...@york.ac.uk<mailto:eleanor.dod...@york.ac.uk>> wrote: Certainly a negative eigen value is bad - can you attach the data? There may be some obvious problem.. Eleanor On 10 January 2015 at 04:42, Xiao Lei <xiaolei...@gmail.com<mailto:xiaolei...@gmail.com>> wrote: Dear All, I tried to convert my x-ray diffraction sca data from HKL200 (.sca file) to mtz in CCP4 using Scalepack2mtz and it failed, I do not know what should I supposed to do next to correct the problem, any suggestions are appreciated. I pasted the message from part of log file below: ANISOTROPY ANALYSIS (using intensities): Eigenvalues: -0.5668 0.1479 0.3584 Eigenvalue ratios: -1.5815 0.4128 1.0000 ctruncate: Anisotropy correction failed - negative eigenvalue. Times: User: 0.4s System: 0.0s Elapsed: 0:00 *************************************************************************** * Information from CCP4Interface script *************************************************************************** The program run with command: /Applications/ccp4-6.4.0/bin/ctruncate -hklin "/LAB/CCP4/TEMP/RelADD_12212014ALS502_3_1_mtz.tmp" -hklout "/LAB/CCP4/TEMP/RelADD_12212014ALS502_3_3_mtz.tmp" -colin "/*/*/\[IMEAN,SIGIMEAN\]" -colout P1_12 has failed with error message ctruncate: Anisotropy correction failed - negative eigenvalue. ObjectCache: Leaked 0005 refs to *************************************************************************** #CCP4I TERMINATION STATUS 0 " ctruncate: Anisotropy correction failed - negative eigenvalue. ObjectCache: Leaked 0005 refs to " #CCP4I TERMINATION TIME 09 Jan 2015 19:55:50 #CCP4I MESSAGE Task failed To the extent this electronic communication or any of its attachments contain information that is not in the public domain, such information is considered by MedImmune to be confidential and proprietary. This communication is expected to be read and/or used only by the individual(s) for whom it is intended. If you have received this electronic communication in error, please reply to the sender advising of the error in transmission and delete the original message and any accompanying documents from your system immediately, without copying, reviewing or otherwise using them for any purpose. Thank you for your cooperation. To the extent this electronic communication or any of its attachments contain information that is not in the public domain, such information is considered by MedImmune to be confidential and proprietary. This communication is expected to be read and/or used only by the individual(s) for whom it is intended. If you have received this electronic communication in error, please reply to the sender advising of the error in transmission and delete the original message and any accompanying documents from your system immediately, without copying, reviewing or otherwise using them for any purpose. Thank you for your cooperation.
