Changes

127 bytes added ,  16:07, 4 December 2007
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  INPUT_FILE=XDS_ASCII.HKL
 
  INPUT_FILE=XDS_ASCII.HKL
 
  INCLUDE_RESOLUTION_RANGE=50 1  ! optional  
 
  INCLUDE_RESOLUTION_RANGE=50 1  ! optional  
  OUTPUT_FILE=temp.hkl  CCP4    FRIEDEL'S_LAW=FALSE
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  OUTPUT_FILE=temp.hkl  CCP4     
 +
FRIEDEL'S_LAW=FALSE           ! default is FRIEDEL'S_LAW=TRUE
 
This produces the file temp.hkl which is then converted to a MTZ file XDS_ASCII.mtz with
 
This produces the file temp.hkl which is then converted to a MTZ file XDS_ASCII.mtz with
 
  f2mtz HKLOUT temp.mtz<F2MTZ.INP
 
  f2mtz HKLOUT temp.mtz<F2MTZ.INP
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  END
 
  END
 
  EOF
 
  EOF
This latter step is not necessary for CNS and SHELX output formats, which are written directly by XDSCONV.
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This latter step is not necessary for CNS and SHELX output formats, which are written directly by XDSCONV. For these output formats, one might use MERGE=FALSE to keep reflections separate.
    
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