The following are software packages under continuous in-house development.

Students (with no previous experience required) have the opportunity to learn programming skills by participating in further development and deployment of these packages.


As our lab develops methods to acquire new types of data, we need to develop software to process that data. To simplify the development of data processing software, we have developed (and continue to actively improve) the pySpecData library.

pySpecData is a object-oriented library for dealing with multi-dimensional data that automates many aspects of Fourier transformation, plotting, and error propagation. It also offers support for generating PDF lab notebooks from latex files that include embedded code to processes raw NMR or EPR data.

Check out the github page and documentation.


In collaboration with researchers at Cornell’s ACERT facility, we are developing a Python wrapper to the NLSL MOMD ESR spectral simulation and fitting software. The resulting tool will allow us to integrate the powerful MOMD simulation software developed at ACERT (in the lab of Prof. J. Freed) with modern graphical display and optimization libraries while preserving all the optimizations integrated into the original code base.