Calculates compound deuteration from ToF-MS data.
Project description
DGet
Calculate compound deuteration from ToF-MS data.
Uses molmass for isotopic mass calculations.
Installation
DGet is available on PyPI
pip install dget
Usage
Basic usage:
dget <formula> <path-to-tof-data>
To see CLI options:
dget --help
Web app
A web based application of DGet is available at https://djdt.github.io/dget/.
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