Composing complex EXAFS problems with severe information constraints
Bruce D. Ravel
In recent work, a model for the structural environment of Hg bound to a catalytic DNA sensor was proposed on the basis of EXAFS data analysis. Although severely constrained by limited data quality and scant supporting structural data, a compelling structural model was found which agreed with a similar but less detailed model proposed on the basis on NMR data. I discuss in detail the successes and limitations of the analytical strategy that were implemented in the earlier work. I then speculate on future software requirements needed to make this and similarly complex analytical strategies more available to the wider audience of EXAFS practitioners.
Composing complex EXAFS problems with severe information constraints, Journal of Physics: Conference Series, [online], https://doi.org/10.1088/1742-6596/190/1/012026, https://tsapps.nist.gov/publication/get_pdf.cfm?pub_id=903571
(Accessed December 1, 2023)