Restore high-resolution NMR spectra from inhomogeneous magnetic fields using neural network

09 June 2023, Version 1
This content is a preprint and has not undergone peer review at the time of posting.

Abstract

High-resolution nuclear magnetic resonance (NMR) spectroscopy is a powerful analytical tool with wide application. However, the conventional shim technique may not guarantee the homogeneity of the magnetic field when the experimental conditions are unfavorable. In this study, we proposed a data post-processing method called Restore High-resolution Unet (RH-Unet), which uses a convolutional neural network to restore distorted NMR spectra that have been acquired in inhomogeneous magnetic fields. The method generates feature-label pairs from singlet peak regions and ideal Lorentzian line shape and trains a RH-Unet model to map low resolution spectra to high resolution spectra. The method was applied to different samples, and showed superior performance than the REFDCON method incorporated in Bruker Topspin software. The proposed method provides a simple and fast way to obtain high resolution NMR spectra in inhomogeneous fields, which can facilitate the application of NMR spectroscopy in various fields.

Keywords

NMR processing
High-resolution NMR
Inhomogeneous magnetic fields
Deep learning

Supplementary materials

Title
Description
Actions
Title
supporting information
Description
supporting information
Actions

Comments

Comments are not moderated before they are posted, but they can be removed by the site moderators if they are found to be in contravention of our Commenting Policy [opens in a new tab] - please read this policy before you post. Comments should be used for scholarly discussion of the content in question. You can find more information about how to use the commenting feature here [opens in a new tab] .
This site is protected by reCAPTCHA and the Google Privacy Policy [opens in a new tab] and Terms of Service [opens in a new tab] apply.