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