suggestion for calculating covariance of unknown&indecomposable reactants
Mattia G. Gollub suggests:
- Build a residual stoichiometrix matrix
U
(similar toX
) of the unknown&indecomposable compounds - Add
MSE_inf * U.T @ U
tocov_dg
- Note that you do not need to clear the rows/columns of
cov_dg
, since you want to preserve the information from the other groups/reactands.