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Figure 2
XAFS spectra of (i-pr Ni) (top row) and (n-pr Ni) (bottom row) determined on an absolute scale following the correction of the identified systematics addressed by Chantler et al. (2015BB6). The red dashed lines are FEFF8-calculated theoretical XAFS using the models developed for the refinement of structural parameters of the complexes. While the functional uncertainty is difficult to view in the χ versus k plots, the strong information content at medium k and the onset of noise and lowering of information content is quite clear in the conventional [k^2\chi] versus k plots, with the important difference that the derived uncertainties fairly represent the noise level. The XAFS oscillations are well defined up to k = 9–11 Å−1. Higher measurement density or counting time at higher k can provide XAFS spectra with well defined accuracies for a larger range.

Journal logoJOURNAL OF
SYNCHROTRON
RADIATION
ISSN: 1600-5775
Volume 22| Part 6| October 2015| Pages 1475-1491
doi:10.1107/S1600577515014976
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