TopFD Supplemental Material

TopFD

TopFD (Top-down mass spectral Feature Detection) is a software tool for top-down spectral deconvolution and a successor to MS-Deconv. It groups top-down spectral peaks into isotopic envelopes and converts isotopic envelopes to monoisotopic neutral masses. In addition, it extracts proteoform features from LC-MS or CE-MS data. TopFD integrates algorithms for proteoform feature detection, feature boundary refinement, and machine learning models for evaluating proteoform features.

  • Code Availability: TopFD has been made available as part of TopPIC suite and can be downloaded from https://github.com/toppic-suite/toppic-suite/releases/tag/v1.6_beta.

  • Executables: You can download the zipped executable files using for Windows and for Linux/MAC .

  • Evaluation Scripts: Evaluation scripts are made available as a GitHub repository and are available at https://github.com/ARBasharat/TopFD_Evaluation_Scripts.

  • Data: The data files have been made available for all 5 data sets used in the study and can be accessed using RAW and mzML files.

  • Extracted Feature: Proteoform features extrated from all data sets using TopFD, ProMex, FlashDeconv and Xtract have been made available at link.

  • Training Data and Model file: Data used to train ECScore model and the trained model are available at link.

  • Processed Feature List: Proteoform features following the removal of mass artifacts are available at link.