Quantitative biomarker profiling of serum samples in the By-Band-Sleeve trial

Metabolomics data has been generated via proton nuclear magnetic resonance (NMR) spectroscopy in samples collected within By-Band-Sleeve. Two sample collection efforts were made - firstly, from a randomised controlled trial (RCT) comparing the effectiveness of three types of bariatric surgery: the Roux-en-Y gastric bypass ("bypass"), laparoscopic adjustable gastric band ("band") and the sleeve gastrectomy ("sleeve"), and secondly from a non-randomised (observational) study of bariatric surgery. In both instances, samples were collected from patients before and after surgery. Data underwent quality control (QC) using a standard pipeline via the R package metaboprep. This package extracts data from preformed worksheets, provides summary statistics and enables the user to select samples and metabolites for their analysis based on a set of quality metrics. Post-filtering, the dataset consists of data from 1410 samples (999 pre-surgery, 411 post-surgery) from 1045 unique individuals (1000 from the RCT and 45 from the non-randomised study), each with 250 measured metabolic traits. Comparison of NMR measures to clinical chemistry data showed good agreement for the metabolites in common across both datasets. Concordance with previous NMR data generated for a subset of the same samples was largely good. Overall, this data note describes the data, explains the pre-processing and quality control procedures applied to the data, and provides some data validation analyses.