I'm currently trying to Artemis fit a molecule that is highly symmetric with multiple scattering paths playing a large role.

delR and sigma2 have been handled rather well for all of the single paths.

I am, however, confused as to how to handle it for multiple scattering paths.

Reff for them seems to be close to the value of the furthest atom, but is always ~5-10% off. (which would be my second question, how is Reff determined for multiple scattering paths)

I've looked at the presentation and examples, such as FeS2. 

I am trying to incorporate all of the same variables used in single scattering paths for multiple scattering paths the best i can.

Thank you ahead of time.

Mikhail Solovyev