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. 2019 Feb 28;9:3176. doi: 10.1038/s41598-019-39512-8

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© The Author(s) 2019

Open Access This 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 license, and indicate if changes were made. The images or other third party material in this article are included in the article’s Creative Commons license, unless indicated otherwise in a credit line to the material. If material is not included in the article’s Creative Commons license 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 license, visit http://creativecommons.org/licenses/by/4.0/.

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Three distributions in HDX-MS data. In this example, among 12 exchangeable hydrogens of a peptide, 8 are deuterated on average. A peptide is deuterated following binomial behavior, where each of n exchangeable hydrogens in a peptide is statistically deuterated with identical labeling probability p, which is calculated by dividing the average deuterium number d by n. As a result, observed, deuterated isotopic distribution is represented as the convolution of natural isotopic distribution and statistical deuteration distribution. The dotted line represents the centroid mass (CM) of the distribution. The centroid mass-based methods calculate the average deuterium number as CM(Ddeu) minus CM(Dnat).