[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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Fred Dyda, Ph.D. Phone:301-402-4496
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