SHELX C/D/E: Difference between revisions

304 bytes added ,  8 August 2009
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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 ==
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