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[ccp4bb]: FreeR flag
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I'm extending a structure to higher resolution and
I've been following the directions on the CCP4 page to
conserve the FreeR flagged reflections and to add new
FreeR flags to the higher resolution data:
cad HKLIN1 g1pnew.mtz HKLIN2 g1p-unique.mtz HKLOUT
new-unique.mtz << eof-cad
LABI FILE 1 ALLIn
LABI FILE 2 E1=FreeR_flag
followed by
uniqueify new-unique.mtz new-uniquer.mtz
When I use uniqueify, I get the following error
message from CAD:
*** Error
From LWASSN : Duplicate column labels in output file,
columns 8 and 9 both have the label FreeR_flag
<B><FONT COLOR="#FF0000"><!--SUMMARY_BEGIN-->
CAD: *** Program Terminated
Could anyone offer me advice on this?
Thanks. Catherine Regni
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