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.为建立对组学数据采集结果的信心，需通过经验证的质控材料对分析方法开展基准测试。本研究报道了一组整合非靶向与靶向代谢组学分析的数据集，用于分析美国国家标准与技术研究院（National Institute of Standards and Technologies, NIST）开发的四种新型人类粪便参考物质，以支撑宏基因组学与代谢组学检测。 该参考级测试材料（Reference Grade Test Materials, RGTM）由NIST基于两种不同饮食方案与两种样品处理方式制备：其一为素食受试者的均质粪便样本，分别以冻干（RGTM 10162）或水溶液形式（RGTM 10171）储存并提交；其二为杂食受试者的均质粪便样本，分别以冻干（RGTM 10172）或水溶液形式（RGTM 10173）储存并提交。 本研究采用了四种非靶向代谢组学分析方法，分别覆盖脂质组学、初级代谢物、生物胺与多酚，同时配套一套针对胆汁酸的靶向分析方法。