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Dear all:
A diffraction dataset was
indexed as R3 space group with a = b = c, a = b = g.
When the .sca file transformed to.mtz file
by scalepack2mtz module of CCP4 5.0.2(Interface 1.3.20), a error message
was showed in log file. "Error in spacegroup or cell
dimensions. "I have no idea
about where wrong is.
Anyone have the same experiences? Any
suggesions would be high appreciated.
Thank a lot,
jaishin
Cell from CELL keyword
97.16 97.25 97.40 109.33 109.28 109.40 Spacegroup information obtained from library file: Logical Name: SYMINFO Filename: /usr/local/lib/solve/syminfo.lib LWSYMM: severe warning - specified symmetry not
consistent with cell dimensions!
Spacegroup H 3 Cell dimensions 97.157997 97.254997 97.396004 109.327003 109.278000 109.403999 SCALEPACK2MTZ: Error in spacegroup or cell dimensions. Times: User: 0.4s System: 0.0s Elapsed: 0:01 </pre> </html> *************************************************************************** * Information from CCP4Interface script *************************************************************************** The program run with command: scalepack2mtz has failed with error message SCALEPACK2MTZ: Error in spacegroup or cell dimensions. *************************************************************************** #CCP4I TERMINATION STATUS 0 " SCALEPACK2MTZ: Error in spacegroup or cell dimensions." |
- [ccp4bb]: problem in scalepack2mtz of CCP4 program OZ
- Re: [ccp4bb]: problem in scalepack2mtz of CCP4 pr... Eleanor Dodson
- Re: [ccp4bb]: problem in scalepack2mtz of CCP4 pr... saint_genevieve
- Re: [ccp4bb]: problem in scalepack2mtz of CCP... Sudharsan Sridharan
