UniDec: Universal Deconvolution of Mass and Ion Mobility Spectra
UniDec is a suite of computational tools built around a core Bayesian deconvolution algorithm. UniDec is fast, robust, and easily generalized to mass and ion mobility spectra. It scales nicely from very simple spectra to highly polydisperse ensembles.
To download UniDec, please visit: https://github.com/michaelmarty/UniDec/releases
Tutorials and Resources
For a beginner tutorial, check out: https://www.youtube.com/watch?v=e33JxgY6CJY
Additional educational resources (including additional tutorial videos) can be found on the Wiki page: https://github.com/michaelmarty/UniDec/wiki. We are constantly improving the Wiki page, so let us know if you have any questions or suggestions of things to add.
For those interested in the source code, it can be found at: https://github.com/michaelmarty/UniDec/
Questions and suggestions can be addressed to email@example.com. We rely on help from the community to improve the software, so please let us know any bugs that you find. We also love to hear how the software is useful for you, so feel free to just get in touch to say hi.
UniDec is described in "Bayesian Deconvolution of Mass and Ion Mobility Spectra: From Binary Interactions to Polydisperse Ensembles" by Michael T. Marty , Andrew J. Baldwin , Erik G. Marklund , Georg K. A. Hochberg , Justin L. P. Benesch , and Carol V. Robinson, Analytical Chemistry, 2015, DOI: 10.1021/acs.analchem.5b00140.
Additional UniDec Papers:
Kostelic, M.M.; Marty, M.T. "Deconvolving Native and Intact Protein Mass Spectra with UniDec." ChemRxiv 2020, DOI: 10.26434/chemrxiv.13417118.v13417111.
Marty, M.T. “A Universal Score for Deconvolution of Intact Protein and Native Electrospray Mass Spectra.” Anal. Chem. 2020, DOI: 10.1021/acs.analchem.1029b05272.
Marty. M.T. “Eliminating Artifacts in Electrospray Deconvolution with a SoftMax Function.” J. Am. Soc. Mass Spectrom. 2019, 30, 2174-2177.
Reid, D. J.; Diesing, J. M.; Miller, M. A.; Perry, S. M.; Wales, J. A.; Montfort, W. R.; Marty, M. T. MetaUniDec: High-Throughput Deconvolution of Native Mass Spectra. J. Am. Soc. Mass. Spectrom. 2019, 30, 118-127.