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SHELX C/D/E: Difference between revisions
→how to prove that a molecular replacement solution is correct
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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. | ||
=== how to | === how to find out if a molecular replacement solution is correct or wrong === | ||
From a [http://www.jiscmail.ac.uk/cgi-bin/webadmin?A2=ind1111&L=CCP4BB&O=D&P=41977 November 2011 posting of George Sheldrick on CCP4BB]: We have unintentionally discovered a very simple way of telling whether | From a [http://www.jiscmail.ac.uk/cgi-bin/webadmin?A2=ind1111&L=CCP4BB&O=D&P=41977 November 2011 posting of George Sheldrick on CCP4BB]: We have unintentionally discovered a very simple way of telling whether | ||