[sharp-discuss] ECALC error

Dyda dyda at ulti.niddk.nih.gov
Fri Apr 10 17:12:43 CEST 2009


Hi,

Does anyone know what is the likely cause of the following error during an
autoSHARP run at the ECALC stage:

    SHELL   NO OF REFLS   RESOLUTION    MEAN DSTAR^3     MEAN F^2    
SMOOTHED F^2    MEAN E^2-1     MEAN(E^2-1)^2

 ECALC:  **** ERROR - Empty shell - increase NSHELL.
 ECALC:  **** ERROR - Empty shell - increase NSHELL.
Times: User:       0.2s System:    0.0s Elapsed:     0:00 

According to mtzdump, the input file project-unique.data.mtz is fine.

Thank you for your  help.

                                                                              
Fred

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