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Welcome to mrsimulator’s documentation!

mrsimulator is a library package with methods and tools for fast simulation of solid-state nuclear magnetic resonance (NMR) line-shapes. The library contains routines written in C which are wrapped and made available in python.

The package is currently under development. At present, mrsimulator features simulation of one-dimensional NMR line-shape of uncoupled spin \(I=\frac{1}{2}\) isotopes for the following scenarios –

  • At arbitrary macroscopic magnetic flux density,

  • Magic angle spinning (MAS) at arbitrary spin rate,

  • Variable angle spinning (VAS) at arbitrary angle and spin rates,

  • Static line-shape.

Indices and tables