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Scaling with SCALA (or better: aimless): Difference between revisions
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Scaling with SCALA (or better: aimless) (view source)
Revision as of 14:07, 4 March 2008
, 4 March 2008→Using xdsconv to get the MTZ file directly (i.e. circumventing SCALA)
| Line 69: | Line 69: | ||
f2mtz HKLOUT temp.mtz<F2MTZ.INP | f2mtz HKLOUT temp.mtz<F2MTZ.INP | ||
cad HKLIN1 temp.mtz HKLOUT junk_xdsconv.mtz<<EOF | cad HKLIN1 temp.mtz HKLOUT junk_xdsconv.mtz<<EOF | ||
LABIN FILE 1 E1=FP E2=SIGFP E3=DANO E4=SIGDANO | LABIN FILE 1 E1=FP E2=SIGFP E3=DANO E4=SIGDANO E5=ISYM | ||
LABOUT FILE 1 E1=FP E2=SIGFP E3=DANO_sulf E4=SIGDANO_sulf | LABOUT FILE 1 E1=FP E2=SIGFP E3=DANO_sulf E4=SIGDANO_sulf E5=ISYM_sulf | ||
END | END | ||
EOF | EOF | ||
ISYM column is important if you want to run SHARP afterwards. | |||