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. 2018 Jan 3;18:580. doi: 10.1186/s12859-017-1995-z

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© The Author(s). 2018

Open AccessThis article is distributed under the terms of the Creative Commons Attribution 4.0 International License (http://creativecommons.org/licenses/by/4.0/), which permits unrestricted use, distribution, and reproduction in any medium, provided you give appropriate credit to the original author(s) and the source, provide a link to the Creative Commons license, and indicate if changes were made. The Creative Commons Public Domain Dedication waiver (http://creativecommons.org/publicdomain/zero/1.0/) applies to the data made available in this article, unless otherwise stated.

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Fig. 3 — ROC curves for the four predictors of the four steps of the crystallization pipeline: failure of material production (panel a), failure to purify (panel b), failure to crystallize (panel c) and success to yield diffraction-quality crystals (panel d). The curves were computed on the TESTsmall dataset