Program components

The following components will enable you to quickly and conveniently run NMR spectrum calculations using HQS Spectrum Tools:

• A convenience function for quick and easy spectrum calculations.
• Different data types to serialize the input and output of NMR calculations.

While these functionalities are typically all you need, you may also browse through the API-documentation to check out all available features. However, we recommend to first go through the example notebooks to get an idea of how the package is typically used.