Target audience

Who is the target audience of the nmraspecds package? Is it interesting for me?

NMR spectroscopists aiming at reproducibility

The nmraspecds package addresses NMR spectroscopists working with larger amounts of data (both, measured and calculated) on a daily base. It strives towards automating processing of NMR data as much as possible, relieving the spectroscopist from tedious, monotonous and often enough error-prone manual routine tasks.

Motivation and general ideas

The motivation and general idea behind the nmraspecds package is to ensure reproducibility and—as much as possible—replicability of data processing, starting from recording data and ending with their final (graphical) representation, e.g., in a peer-reviewed publication. This is achieved by relying on the ASpecD framework taking care of mostly automatically creating a gap-less record of each processing step.

Every scientist should be well familiar with the concept of reproducibility and its importance for science in general. If you don’t really care about reproducibility, you will probably have hard time using the nmraspecds package in the way it is developed for. If, however, you do care about reproducibility and are looking for a system that helps you to achieve this goal, the nmraspecds package may well be interesting for you.