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Grouper - software for general 2D isotopic grouping. Can be applied to LC-MS (liquid chromatography) or IM-MS (ion mobility) datasets.
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README.md

README.md

Please visit https://chhh.github.io/IMTBX/ for more details.

Grppr

Grppr (Grouper) - Software for general 2D isotopic grouping. Can be applied to LC-MS (liquid chromatography) or IM-MS (ion mobility) datasets. For LC-MS the whole run is processed at once, for IM-MS each ion mobility scan is processed separately. Using the Averagine peptide model can infer the location of the monoisotopic peak even when it is not visible.
IMTBX (Ion Mobility Toolbox) - 2D signal extraction tools for ion-mobility coupled mass-spectrometry. See this repository for more info.

Downloads

Precompiled binaries of Grppr and IMTBX are available in the Releases section of IMTBX repository.

Documentation / More info

Read the docs at https://chhh.github.io/IMTBX/

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