1,328
edits
SHELX C/D/E: Difference between revisions
→RIP
(→RIP) |
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| Line 104: | Line 104: | ||
FIND 8 | FIND 8 | ||
DSCA 0.97 | DSCA 0.97 | ||
NTRY | NTRY 1000 | ||
EOF | EOF | ||
shelxd jia_fa | shelxd jia_fa | ||
shelxe jia jia_fa -h -s0.6 -m20 -b | shelxe jia jia_fa -h -s0.6 -m20 -b | ||
shelxe jia jia_fa -h -s0.6 -m20 -b -i | shelxe jia jia_fa -h -s0.6 -m20 -b -i | ||
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. | ||