This project is organised according to Noble 2009
data: contains unchanging original data (IV-, UVVis-, XRD-measurments). Do not put anything else there, better yet, make the folder read-only.results: contains end results of calculations. Do not put intermediate or temporary results there.code: contains project specific programs or scriptsdoc: contains documentation, instructions and manuscripts.
- python3: argparse, dfply, numpy, pandas, pyDOE, scikit-learn, scipy
- R: earth, emma (manual installation necessary), dplyr