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. 2022 Jun 16;18(7):41. doi: 10.1007/s11306-022-01897-5

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© The Author(s) 2022

Open AccessThis article is licensed under a Creative Commons Attribution 4.0 International License, which permits use, sharing, adaptation, distribution and reproduction in any medium or format, as long as you give appropriate credit to the original author(s) and the source, provide a link to the Creative Commons licence, and indicate if changes were made. The images or other third party material in this article are included in the article's Creative Commons licence, unless indicated otherwise in a credit line to the material. If material is not included in the article's Creative Commons licence and your intended use is not permitted by statutory regulation or exceeds the permitted use, you will need to obtain permission directly from the copyright holder. To view a copy of this licence, visit http://creativecommons.org/licenses/by/4.0/.

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Fig. 5 — a Comparison of the number of isotopic clusters each detected isotopologue appears in for X13CMS (blue) and geoRge (red) software. b Venn diagram of the number of isotopic clusters detected by X13CMS (blue) and geoRge (red) in biological samples, including clusters identical both in length and isotopologue composition (green circle). c PCA plots of the extracted isotopic profiles of unlabelled and labelled wild-type and ∆zwf E.coli strains after processing using X13CMS (left) and geoRge (right)