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SHELX C/D/E: Difference between revisions
→notes about the beta-test version of SHELXE
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Use for RIP: 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. | Use for RIP: 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. | ||
Nice writeup from GMS, as of Jan 13, 2013: https://www.jiscmail.ac.uk/cgi-bin/webadmin?A2=ind1301&L=ccp4bb&F=&S=&X=160F8F2598F868FF2A&P=83871 | |||
=== how to find out if a molecular replacement solution is correct or wrong === | === how to find out if a molecular replacement solution is correct or wrong === | ||