an OpenSource Software Framework and User Interface for High{Throughput Metabolomics

Metabolomics has developed into a mature field of research during the past decade. The establishment of common experimental routines and potent analytical platforms has led to a dramatical increase in throughput and sample size, producing larger and larger amounts of data. High-throughput metabolomics research requires software capable of handling such complex and large samples efficiently and in parallel. Open data exchange formats, such as netCDF and mzML are a key requirement for repeatability, comparability, and validation of data gathered in metabolomics studies. We present a software framework that addresses these challenges and provides the foundation for a user-friendly, rich client application with a focus on oneand comprehensive two-dimensional gas chromatography-mass spectrometry (GC-, GCxGC-MS) data.