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SHELX C/D/E: Difference between revisions
→Cubic space groups (PATS vs WEED): remove paragraph - WEED is no longer necessary in latest SHELXE
(→critical parameters: re-organize) |
(→Cubic space groups (PATS vs WEED): remove paragraph - WEED is no longer necessary in latest SHELXE) |
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If heavy atoms can lie on special positions (as is the case with an iodide soak in a space group with twofold axes) the rejection of atoms on special positions should be switched off by giving the second MIND parameter as -0.1 (as in the above thaumatin example). | If heavy atoms can lie on special positions (as is the case with an iodide soak in a space group with twofold axes) the rejection of atoms on special positions should be switched off by giving the second MIND parameter as -0.1 (as in the above thaumatin example). | ||
=== Interpretation of results === | === Interpretation of results === | ||