ucsf_nmr 0.2.0

Parser for ther UCSF NMR file format
Documentation

UCSF NMR file format parser

This project provides a parser for the UCSF NMR file format written in Rust. It explicitly supports 2D/3D/4D measurements, but should in theory support any number of dimensions.

The implemenation follows the description of the format outlined at https://www.cgl.ucsf.edu/home/sparky/manual/files.html#UCSFFormat.

Installation

Via cargo-edit:

cargo add ucsf_nmr

Usage examples

The example under ./examples/tile_plots.rs shows how to load a spectrum, iterate over all the data points in it and draw a simple greyscale image from it with the help of plotters:

Image of NMR spectrum

License