Welcome to ms_deisotope’s documentation!

ms_deisotope contains a variety of implementations for deisotoping and charge state deconvolution of mass spectra. It uses ms_peak_picker to perform the low level signal processing needed to translate profile spectra into centroided m/z peak lists and brainpy to generate theoretical isotopic patterns that it fits to these centroids to produce deconvoluted neutral mass peak lists.

ms_deisotope also includes a data access layer for reading mass spectra from several common formats, including instrument information and and file metadata.

Indices and tables