I have a puzzle during analyzing of my EXAFS data. can someone please help me:

I have a set of EXAFS data on solution sample at different pH. I wish to extract the structure information from the EXAFS region to accont for the reaction machanism. However, there are several configurations(as indicated by XANES) and species(as indicated by thermodynamics caculation) in solution due to the metal-Ligand complex balance.

How can i obtain the structure information about this complex system from the EXAFS data?