NMR data visualization, processing, and analysis on mobile devices.

Area of Science:

• Analytical Chemistry
• Spectroscopy
• Computational Chemistry

Background:

• Touch-screen devices are increasingly used in scientific applications.
• Nuclear Magnetic Resonance (NMR) spectroscopy is a vital analytical technique.
• Existing NMR software often requires dedicated desktop setups.

Purpose of the Study:

• To develop and present a novel NMR application for portable touch-screen devices.
• To enable efficient NMR data processing on smartphones and tablets.
• To assess the feasibility of using NMR software apps in scientific practice.

Main Methods:

• Implementation of a flexible NMR processing and analysis kernel.
• Development of an intuitive user interface leveraging haptic feedback.
• Application of a parallelized Modified Iterative Soft Thresholding algorithm for non-uniform sampled data.
• Support for routine 1D and 2D NMR spectra processing.

Main Results:

• Successful development of a functional NMR app for touch-controlled devices.
• Fully unattended processing of standard NMR spectra achieved.
• Efficient processing of non-uniformly sampled NMR spectra demonstrated.
• The app functions as a stand-alone tool and a companion to desktop software.

Conclusions:

• NMR software apps are feasible for portable devices.
• The developed app provides powerful NMR data processing capabilities on-the-go.
• This innovation enhances accessibility and flexibility in NMR data analysis.