Datasets of "Differences in the stool metabolome between vegans and omnivores: analyzing the NIST stool reference material" publication

To gain confidence in results of omic-data acquisitions, methods must be benchmarked by validated quality control materials. We here report data combining both untargeted and targeted metabolomics assays for the analysis of four new human fecal reference materials developed by the U.S. National Institute of Standards and Technologies (NIST) for metagenomics and metabolomics measurements. These reference grade test materials (RGTM) were established by NIST based on two different diets and two different samples treatments: homogenized fecal matter from subjects eating vegan diets, stored and submitted in either lyophilized (RGTM 10162) or aqueous form (RGTM 10171); secondly, homogenized fecal matter from subjects eating omnivore diets, stored and submitted in either lyophilized (RGTM 10172) or aqueous form (RGTM 10173). We used four untargeted metabolomics assays (lipidomics, primary metabolites, biogenic amines and polyphenols) and one targeted assay on bile acids.为提升组学数据采集（omic-data acquisitions）结果的可信度，相关分析方法需借助经过验证的质控材料完成基准测试。本研究发布一套整合非靶向代谢组学（untargeted metabolomics）与靶向代谢组学（targeted metabolomics）分析方法的数据集，用于对美国国家标准与技术研究院（National Institute of Standards and Technology, NIST）开发的四种新型人类粪便参考物质开展分析，此类参考物质专为宏基因组学（metagenomics）与代谢组学（metabolomics）检测而研发。该参考级测试材料（Reference Grade Test Materials, RGTM）由NIST基于两种饮食方案与两种样本处理方式制备：一是来自素食饮食受试者的均质化粪便样本，以冻干（lyophilized）形式（RGTM 10162）或水溶液形式（aqueous form, RGTM 10171）储存与提交；二是来自杂食饮食受试者的均质化粪便样本，以冻干形式（RGTM 10172）或水溶液形式（RGTM 10173）储存与提交。本研究采用了四种非靶向代谢组学分析方法，分别针对脂质组学（lipidomics）、初级代谢物（primary metabolites）、生物胺（biogenic amines）与多酚（polyphenols）；同时还采用了一种针对胆汁酸（bile acids）的靶向分析方法。