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SHELX C/D/E: Difference between revisions
→notes about the beta-test SHELXE
(→RIP) |
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For this version, the -a option sets the number of global autotracing cycles; -a on its own is equivalent to -a3. | For this version, the -a option sets the number of global autotracing cycles; -a on its own is equivalent to -a3. | ||
It should be noted that the beta-test SHELXE inserts HKLF 4 and END before the first negative peak when writing the revised substructure to the .hat file. Normally this is a good way of finding where the noise begins, but for RIP if you want to recycle the negative peaks these lines should be removed. | |||
== RIP with SHELXC/D/E == | == RIP with SHELXC/D/E == | ||