Binner for Reduction of MS Data


When a metabolite is analyzed by electrospray ionization-mass spectrometry (ESI-MS), it is usually detected as multiple ion species due to the presence of isotopologues, adducts, and in-source fragments that cannot be readily identified. Binner is a Java application that takes a numerical feature table obtained from any preprocessing software (e.g. XCMS, MZmine) as input and outputs a file with clusters of closely eluting, highly correlated metabolite features that are most related, along with their pairwise correlations, mass differences, and putative annotations.

Please note: Both the Binner algorithm and the software are still under development. Feel free to try Binner at this early stage and we welcome feedback, but please be aware that pre-release software is particularly prone to bugs and any results obtained from this release should be examined carefully before being used in any meaningful context.

Download Binner alpha version

Additional documentation and sample input files coming soon ...