GNAT

GNAT processes, visualizes, and analyzes Nuclear Magnetic Resonance (NMR) data to extract diffusion, relaxation (T1/T2), and kinetic information from high-resolution NMR datasets.

Key Features:

• Data Import and Compatibility: Supports the importation of various common file formats used by major NMR platforms as well as a GNAT generic format.
• Comprehensive Data Processing: Provides Fourier transformation, baseline correction, phasing, reference deconvolution, and pure shift FID reconstruction to improve spectral quality.
• DOSY (Diffusion-Ordered Spectroscopy): Analyzes diffusion properties in complex mixtures.
• SCORE: Offers complementary diffusion data analysis alongside DOSY.
• ROSY T1/T2: Estimates relaxation times (T1 and T2) for insights into molecular dynamics and interactions.
• PARAFAC (Parallel Factor Analysis): Performs multilinear decomposition of multidimensional NMR data for component resolution.
• Support for relaxation and kinetic experiments: Extends analysis capabilities beyond diffusion NMR to relaxation and kinetic high-resolution NMR datasets.

Scientific Applications:

• Chemical Analysis: Study molecular structures and interactions using high-resolution and diffusion-resolved NMR data.
• Biological Research: Analyze biomolecular dynamics, conformational changes, and interactions via relaxation and diffusion measurements.
• Material Science: Characterize molecular-level properties of materials using NMR diffusion, relaxation, and kinetic analyses.

Methodology:

Implemented methods explicitly include Fourier transformation, baseline correction, phasing, reference deconvolution, pure shift FID reconstruction, DOSY, SCORE, ROSY T1/T2, and PARAFAC.