Reviewer 2-Q21: Define terms in equation

MobleyLab / relative-solvation-paper

Paper on reproducibility of relative solvation free energies across packages

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Reviewer 2-Q21: Define terms in equation #61

Closed Steboss closed 6 years ago

Steboss commented 6 years ago

What is n in Eqns. 2 and 4? Are they the same? A SEM error could (also?) be calculated from the triplicate samples? Is it similar (larger or smaller)?

Steboss commented 6 years ago

@halx here it is not clear to me why we defined eq.4 as MAE. Throughout the paper we never mentioned it. Were we using MAE as MAD? Thank you

halx commented 6 years ago

My understanding is that MAE and MAD are exactly the same thing. So, please make sure that 1) the definition in eq 4 is correct, and 2) that the terminology is consistent everywhere. It might be useful to mention somewhere that MAD=MAE but I am not sure if that is needed.

Steboss commented 6 years ago

I thought the same. Thanks for the clarification Hannes. I will correct this in the paper