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Welcome to Mrsimulator’s documentation!

Mrsimulator is a python package with methods and tools for simulating fast solid-state nuclear magnetic resonance (NMR) line-shapes. The core methods is written in C, wrapped and made available in python for python users.

Warning

The package is currently under development. We advice using with caution. Bug report are greatly appreciated.

Features

At present, mrsimulator offers fast-simulation of one-dimensional NMR line-shape of uncoupled spins for the following:

  • Spin \(I=\frac{1}{2}\), and quadrupole \(I \ge \frac{1}{2}\), (See the list of supported isotopes),

  • Arbitrary macroscopic magnetic flux density,

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

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

  • Static line-shape.

Contribution

Mrsimulator is a open source NMR simulation package. We are a small team working on developing the package for the NMR community. Any contribution and suggestion is greatly appreciated.


Indices and tables