Remove the error calculation for deuteration. This is really the residuals of the deonvolution, and it is not valid to simply assume it as error in the %D. Residuals can be checked using `dget.residual_error`, or visually by plotting data.
0.25
Add an error value to the deuteration, based on the residuals of the deconvolution.
Fix calculation of %D for adducts with multiple base molecules e.g., [2M+H]+
Improve compatibility of Flask module
0.24
Include new io package in setup.py.
0.23
What's Changed * IO and single file uploads by djdt in https://github.com/djdt/dget/pull/1
Use a cuttoff value 'cutoff' instead of 'number_states' This can be passed as None (same behaviour as before), a float for a cutoff below a m/z, or a str D<int> to cutoff below a deuteration state.