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
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* 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
