SHELX C/D/E: Difference between revisions

SHELX C/D/E (edit)

139 bytes added , 8 August 2009

1,330

edits

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   EOF
   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 ===