>>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, Can you send me a file that has this *issue*? I could use another 2 or 3 shelx files anyway ... we only have 1 or 2 in the source code repository for testing. Miguel ------------------------------------------------------- SF email is sponsored by - The IT Product Guide Read honest & candid reviews on hundreds of IT Products from real users. Discover which products truly live up to the hype. Start reading now. http://ads.osdn.com/?ad_ide95&alloc_id396&op=click _______________________________________________ Jmol-users mailing list Jmol-users@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/jmol-users
