vix.ing · top · new · best · stats · spec

Computer simulation approach to reliability and accuracy in EXAFS structural determinations

2000/10/19 by Paolo Ghigna, Ghigna, Paolo, Melissa di Muri +3
Physics and Astronomy · #Data Analysis #FOS: Physical sciences #Statistics and Probability (physics.data-an) #physics.data-an

paper · pdf · doi:10.48550/arxiv.physics/0010048

Submitted to J. Appl. Cryst

arxiv created 2000/10/19 · arxiv updated 2009/12/01

Abstract

The frequency distribution of different parameters of an EXAFS spectrum can be directly sampled by analysing a population of simulated spectra produced by adding computer-generated noise to a reference pattern. The procedure gives statistical estimators of the parameter obtained with different data processing strategies to test the performance of a strategy, to evaluate the bias introduced by random noise, and to clarify the amount of information actually contained in an experimental spectrum. Examples are given for the two simple local structures of an Ag atom sorrounded by two oxygens or by six iodines.

Related