On 3/11/05 15:26, Bob Hanson wrote:
with the one caveat that not all elements are encoded in shelx via that form of the SFAC. There is also the general form[EMAIL PROTECTED] wrote:
Perfect. Yes, this should be implemented. Very easy:
SFAC C H O LI EU
1 2 3 4 5
SFAC [with scattering factor curve coefficients]
for this form the zeroth element of the equation would need to be calculated so the Z value of the element could be determined (and hence the element identity derived).
Rich
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