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. 2020 Jun 11;25(11):2715. doi: 10.3390/molecules25112715

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© 2020 by the authors.

Licensee MDPI, Basel, Switzerland. This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC BY) license (http://creativecommons.org/licenses/by/4.0/).

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(a) Histograms of (a) the maximum radii around each Fe absorption site encoded in a CM of dimensions $20 \times 20$ , and (b) the necessary CM dimension, N, required to encode a radius of 4.0 Å around each Fe absorption site in our dataset. Histograms are normalised.