On 3/11/05 15:26, Bob Hanson wrote:

[EMAIL PROTECTED] wrote:



Perfect. Yes, this should be implemented. Very easy:

SFAC C H O LI EU
1 2 3 4 5


with the one caveat that not all elements are encoded in shelx via that form of the SFAC. There is also the general form

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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