SHELX C/D/E: Difference between revisions

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Line 107: Line 107:
  EOF
  EOF
  shelxd jia_fa
  shelxd jia_fa
  shelxe jia jia_fa -h -s0.6 -m20
  shelxe jia jia_fa -h -s0.6 -m20 -b
  shelxe jia jia_fa -h -s0.6 -m20 -i
  shelxe jia jia_fa -h -s0.6 -m20 -b -i


The -h option is included for SHELXE because the native has heavy atoms. The critical point for RIP is that you have to try many different DSCA values in the range 0.9 to 1.05.
 
The critical point for RIP is that you have to try many different DSCA values in the range 0.9 to 1.05.
 
The -h option is included for SHELXE because the native has heavy atoms. Recycling of the positive and difference peaks produced by –b is normally necessary (rename jia.hat or jia_i.hat to jia_fa.res).


=== MAD ===
=== MAD ===
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