Plasma NMR Metabolomics Dataset Used in the Study: "Obesity-driven metabolic dysregulation: Altered metabolites and predictive features of disease progression"

This dataset contains ¹H-NMR metabolomic profiles of plasma samples collected from 72 Brazilian individuals, stratified by BMI into two groups: <30 kg/m² and ≥30 kg/m². The study aimed to identify metabolic signatures associated with obesity using untargeted metabolomics via high-resolution ¹H-NMR, combined with machine learning (XGBoost, SHAP). The data include spectra acquired under NOESY, CPMG, and diffusion-edited sequences. Associated metadata includes BMI, metabolic classification, and metabolite binning values (MetaboAnalyst-ready). This dataset supports the findings of the manuscript:"Obesity-driven metabolic dysregulation: Altered metabolites and predictive features of disease progression" (Submitted, 2025).本数据集包含72名巴西个体的血浆样本氢谱核磁共振（¹H-NMR）代谢组学谱图，所有样本按体重指数（BMI）分为两组：BMI<30 kg/m²组与BMI≥30 kg/m²组。本研究旨在通过高分辨氢谱核磁共振（¹H-NMR）开展非靶向代谢组学分析，并结合机器学习（XGBoost、SHAP），识别与肥胖相关的代谢特征。本次数据集涵盖采用NOESY、CPMG及扩散编辑脉冲序列采集的谱图数据。配套元数据包含BMI、代谢分类信息以及可直接用于MetaboAnalyst软件的代谢物分箱值。本数据集可为已投稿（2025年）的论文《肥胖驱动的代谢紊乱：代谢物改变与疾病进展预测特征》的研究结论提供支撑。