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SHELX C/D/E: Difference between revisions
→RIP: new chapter
(update SHELXE documentation) |
(→RIP: new chapter) |
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== Examples == | == Examples == | ||
=== RIP === | |||
shelxc jia <<EOF | |||
BEFORE jia_nat.hkl | |||
AFTER jia_burnt.sca | |||
CELL 96.00 120.00 166.13 90 90 90 | |||
SPAG C2221 | |||
FIND 8 | |||
DSCA 0.97 | |||
NTRY 100 | |||
EOF | |||
shelxd jia_fa | |||
shelxe jia jia_fa -h -s0.6 -m20 | |||
shelxe jia jia_fa -h -s0.6 -m20 -i | |||
Not yet tried example for RIP. -h is included for SHELXE because the native has heavy atoms. | |||
=== MAD === | === MAD === | ||