Well - I really need to see the output.sca file with the reflection list to test the problem properly, but this log file does show your reflections at the highest resolution are very weak, and maybe not useful. Try cutting the resolute a bit and see what happens. Eleanor
On 11 January 2015 at 00:08, Xiao Lei <xiaolei...@gmail.com> wrote: > 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 > > 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> 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 >>> >>> >>> >>> >> >
