# Supplementary Material for "Enabling low-power Bloch-McConnell Relaxation Dispersion in solid-state NMR"

This folder contains all of the supplementary material required to recreate the results of Tatman and Schanda (2026).

## simulations

This contains the three example simulations shown in the paper. These may be run with `python3 model.py`.

## FCI

FCI is a set of scripts written to make the interconversion of NMR file formats simpler. This directory contains the current version of FCI, plus some documentation. For the purposes of this paper, FCI is used to perform all of the integration and relaxation analysis. 

Before running any of the protein specific analysis, the `bruk2ucsf` path should be set in `process_dataset.sh`, and `process_dataset_rev.sh` should be set to point to where `bruk2ucsf` is on your system.

## GB1QDD and ubiquitin

### data

This contains all TopSpin NMR data

### analysis

This contains the analysis scripts required to process the NMR data, as well as the resulting output. To reperform the analysis yourself, run

`./runfit.sh`

in either directory. 

The BMRD profiles are shown in `bmrd_figs`, and the relaxation rate fits are shown in `relax_fits`.

Note that the 700_R1.spl dataset in the GB1QDD analysis is taken from a separate dataset, and so is not fit each time. This was measured under identical conditions to the R1p measurements made here. In the case that you would like to omit the use of this, edit 'fitlist_va.txt' and replace all mention of this file with 'none'.