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Figure 3
Quantification of the real-space method against positional noise. For each ROI, we identify the peaks in all of the amplitude spectra and report the individually second-strongest peak for each amplitude spectrum. With Nv FE mesh nodes, i.e. Nv directions (or corresponding SDMs), this yields one cumulative distribution per ROI. Next, specific quantiles of the distribution were extracted for each ROI and displayed for the entire ROI ensemble. This condenses how the results differ for all amplitude spectra (40 962 per ROI) and all ROIs (10 000 in total). We repeat this statistical analysis for all signatures from the data sets with different atom displacement strengths (σz) and compare them. Contrary to noise from missing atoms, a substantial reduction in the signal-to-noise ratio is observed the more strongly the atoms are displaced.

Journal logoJOURNAL OF
APPLIED
CRYSTALLOGRAPHY
ISSN: 1600-5767
Volume 54| Part 5| October 2021| Pages 1490-1508
https://doi.org/10.1107/S1600576721008578
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