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  1. find-mfs find-mfs Public

    A Python package for finding molecular formulae candidates which fit some given mass (+/- an error window). Uses Böcker & Lipták's highly efficient algorithm, as implemented in SIRIUS. This package…

    Python 2 1

  2. WatersMzMLTool WatersMzMLTool Public

    The .mzML files exported using Waters' default software leaves a lot on the table. This tool allows users to calibrate using an arbitrary number of calibrants

    Python