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Line 12: − After running XDSCONV one would then run+ − + − +
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INCLUDE_RESOLUTION_RANGE=50 1 ! optional
INCLUDE_RESOLUTION_RANGE=50 1 ! optional
OUTPUT_FILE=temp.hkl CCP4 FRIEDEL'S_LAW=FALSE
OUTPUT_FILE=temp.hkl CCP4 FRIEDEL'S_LAW=FALSE
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
cad HKLIN1 temp.mtz HKLOUT junk_truncated.mtz<<EOF
cad HKLIN1 temp.mtz HKLOUT XDS_ASCII.mtz<<EOF
LABIN FILE 1 E1=FP E2=SIGFP E3=DANO E4=SIGDANO
LABIN FILE 1 E1=FP E2=SIGFP E3=DANO E4=SIGDANO
LABOUT FILE 1 E1=FP E2=SIGFP E3=DANO_sulf E4=SIGDANO_sulf
LABOUT FILE 1 E1=FP E2=SIGFP E3=DANO E4=SIGDANO
END
END
EOF
EOF
''More to come''
''More to come''
