Relaxation assisted seperation (RAS) is a method for analyzing and resolving NMR data using relaxation in MATLAB.
- All testing has been done on MATLAB 2020a and newer
- The Parrallel Computing Toolbox in MATLAB
- Previously developed NNLS functions are included with this distribution
- Download the 'functions' folder and add it to the MATLAB path
- Example scripts and data are provided in the other folders to demonstrate usage
- Some basic processing example scripts are provided with experimental datasets to demonstrate how to pre-process relaxation data into the appropriate matrix or 3D object including: Reading Bruker FIDs/SERs, CPMG echo coaddition, phasing, automatic phasing up to second order, denoising relaxation data with PCA
- 2D RAS functions are provided for processing T1 and T2-type datasets
- 3D RAS scripts are provided for processing T1-T2 datasets
- The kernel structure of either of the above can be simply modified to process other types of exponential decays (e.g., T1rho, dipolar T1, diffusion, etc.)
If you use RAS please cite the following: A.R. Altenhof, M.J. Jaroszewicz, L. Frydman, and R.W. Schurko. 3D Relaxation-Assisted Separation of Wideline Solid-State NMR Patterns for Achieving Site Resolution. PhysChemChemPhys. https://doi.org/10.1039/D2CP00910B
- Michael Jaroszewicz
- Adam Altenhof
Please contact rschurko@fsu.edu with any quesitons, feedback, or suggestions.
This software was supported (in part) by the National Science Foundation Chemical Measurement and Imaging Program, with partial co-funding from the Solid State and Materials Chemistry Program (NSF-2003854).
MIT