MetaDB a Data Processing Workflow in Untargeted MS-Based Metabolomics Experiments

This dataset reports the UPLC-QTof MS untargeted analysis of Vitis vinifera L. leaves, collected from Italy (Trentino) and Germany (Mecklenburg West-Pomerania), from two fungus-resistant grape varieties (PIWI), Regent and Phoenix. For each variety, 40 leaves were sampled from 10 plants (4 leaves/plant) in Italy, and other 40 with the same process in Germany. The leaves from each plant were homogenized and extracted separately, in the same day, under a randomized order. A quality control (QC) sample was prepared by pooling a small aliquot from each sample.
The aim of the project, was to use this sample/data set as an illustrative example for the use the pipeline MetaDB (https://github.com/rmylonas/MetaDB). MetaDB has been developed in order to combine, with a user-friendly web based, different bioinformatic tools used in metabolomics, which takes care a) metadata organization, b) creation of randomized sequences including QC sample, c) data quality evaluation, d) data storage organization, e) data analysis and f) submission to public repositories.