Mnova SMA

Mnova SMA (Spectral Mixtures Analysis) by Mestrelab is a powerful plugin for the Mnova platform designed for the identification and quantification of components in mixtures via NMR spectroscopy. It provides the most comprehensive approach to targeted analysis of 1D and 2D NMR spectra, supporting the simultaneous analysis of several datasets from the same sample. Mnova SMA is particularly well-suited for targeted mixtures containing 10–20 compounds of interest, and is used by analytical chemists, QC experts, and medicinal chemists across academic, government, and industrial settings.

Built on Mnova's advanced processing capabilities — including the powerful qGSD algorithm — SMA enables quantitation of mixture components based on chemical shift range integrals. Users can interact with a database of potential components to build sample-specific analyses on the fly, and can automate workflows in batch mode or as real-time processing directly from spectrometer output.

Key Benefits

• Targeted mixtures analysis optimised for samples with 10–20 compounds of interest
• Quantitation of mixture components by NMR using chemical shift range integrals
• Leverages Mnova's core advanced processing, including the qGSD algorithm
• Create bespoke targeted mixture analysis experiments tailored to your application
• Interact with a component database to build analyses on the fly
• Automate workflows in batch mode or real-time processing as data is produced

Wide Range of Applications

• Applicable across an almost endless list of mixture analysis scenarios
• Supports QC and production environments through automated workflow integration
• Addresses the need for robust analytical procedures highlighted in high-profile industry cases
• Use the formula editor to maintain full control over quantification definitions

Highly Customizable

• Design your own experiments: select mixture components, include or exclude multiplet ranges, set integration options and formulae, and choose display colours
• Personalize alerts to flag inconsistencies relevant to your workflow
• Save experiments to a library for reuse and sharing across your organisation
• Customize reports to include the information you need in your preferred format: PDF, MNOVA, HTML, XML, or CSV

Integrated Database Assistant

• Import chemical shift ranges, number of nuclides, and molecular weight directly from Mnova DB
• Build SMA experiments with just a few clicks using the integrated DB assistant
• Search a mixture spectrum against a database of potential components to identify candidates
• Refine potential hits quickly through visual inspection for concentration or purity determination workflows

Automation with Gears SMA

• Run SMA analyses in fully automated workflows using the Gears SMA brick
• Process raw data in batches from a specified directory or in real time as spectra are produced
• Supports structured subfolder data handling for improved compatibility

What's New in Mnova SMA 4.0

• Smarter parameter setup: Define parameters using metadata or CSV files for faster, more flexible workflows
• One-click reanalysis: Instantly reprocess and refresh results without starting from scratch
• Built-in issue alerts: Real-time alerts in both logs and the Mgears Viewer
• Personalized reporting: Add custom prefixes and suffixes to report names for easier tracking
• Clearer results: Choose between decimal or scientific number formats for more readable outputs
• Streamlined interface: Redesigned mixture, editing, and settings dialogs for a more intuitive experience
• Contextual help: Access detailed documentation directly from the Gears SMA brick settings
• Effortless data handling: Automatically process data in structured subfolders with improved compatibility
• Enhanced PULCON workflows: Improved visibility, validation, and smoother UI navigation

Mnova SMA integrates closely with related Mestrelab products including Mnova Core, Gears SMA, qNMR, DB Search, and MANIQ, forming part of a comprehensive NMR data analysis ecosystem. A 45-day free trial is available, and the tool is supported on Windows, macOS, and multiple Linux distributions including RHEL and Ubuntu.