Large-scale mass-spectrometry based metabolomics experiments became a common place in recent years. Data analysis for such experiments is a complex multi-step process which presents a number of challenges in quality control, within and between-batch normalization, proper alignment of mass-spectral features between the samples, dealing with missing data, identification of unknowns, removal of redundant signals, data integration from multiple assays, etc. It requires the use of multiple software tools, often with heavy emphasis on custom scripts and complex pipelines. The goal of this project is to put an intuitive user interface on a number of the common tasks in metabolomics data analysis in order to better organize and streamline the procedure.
Several open access MSMS libraries from MS-DIAL were reformatted to include internal MetIDTracker spectrum identifiers and converted to NIST format. They may be used to search experimental data from MetIDTracker.
For a number of operations MetIDTracker relies on third party software. This software needs to be installed on the same computer and the location of each external program has to specified in the preferences.
This list is probably incomplete and will be updated soon