Mestrelab MestReNova v16.0: Comprehensive Software for NMR and Analytical Data Processing

Mestrelab MestReNova v16.0 (often abbreviated as MNova) is an all-in-one software suite for processing, analyzing, reporting, and predicting Nuclear Magnetic Resonance (NMR) and other analytical data. It is the industry standard in pharmaceutical companies, academic research labs, and chemical industries for interpreting spectroscopic results.

Core Philosophy: A Unified Platform for Analytical Chemistry

MestReNova's strength lies in its ability to handle multiple spectroscopic techniques within a single, intuitive interface, streamlining the workflow from raw data to publishable report.

Key Features & Capabilities in v16.0

The v16.0 release continues to build upon MNova's robust core with enhancements focused on AI assistance, workflow automation, and data integrity.

1. Advanced NMR Processing & Analysis

• 1D & 2D NMR Processing: Powerful tools for processing, visualizing, and analyzing complex 1D, 2D, and even nD NMR spectra (e.g., COSY, HSQC, HMBC).

• Automated Analysis (Global Spectral Deconvolution - GSD): A flagship feature that intelligently identifies and quantifies peaks, even in crowded or poorly resolved regions, without manual peak picking.

• NMR Verification Suite: A dedicated set of tools for structure verification, automatically comparing predicted NMR chemical shifts with experimental data to confirm or reject a proposed chemical structure.

• Batch Processing & Scripting: Process hundreds of spectra automatically, saving immense time in quality control (QC) and metabolomics studies.

2. Multi-Technique Data Handling

• LC/GC-MS & LC/GC-DAD Integration: Directly import, process, and analyze chromatographic and mass spectrometric data. Integrate UV and MS data for comprehensive compound identification.

• IR & Raman Spectroscopy: Handle vibrational spectroscopy data within the same platform, allowing for cross-technique correlation.

• Unified Viewer: View and analyze data from NMR, MS, and chromatography side-by-side in a single document.

3. Prediction & Database Tools

• NMR Prediction: Accurately predict 1H and 13C NMR spectra from a chemical structure using built-in algorithms (both HOSE code and neural network-based).

• Mnova DB: A database system integrated within MNova for storing and retrieving spectra, structures, and associated metadata, facilitating knowledge management and data sharing within a team.

4. Reporting & Collaboration

• Dynamic Reporting: Create highly customizable, publication-ready reports with embedded spectra, structures, and tables. The reports are "dynamic," meaning data can be re-measured directly within the report.

• MNova Cloud & Share: Enhanced cloud-based features for securely sharing data and collaborating with colleagues in real-time, regardless of their location.