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SciY/Mestrelab Research
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SciY, a vendor-agnostic Bruker BioSpin division, drives R&D and manufacturing digitalization and automation. Its harmonized solutions cover experiment design, data management, analysis, automation, and AI readiness, empowering next-generation self-driving labs and factories.
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What’s New in MSChrom with Mnova 15.1?

Tu, 19.11.2024
| Original article from: Mestrelab Research
Mnova 15.1 introduces enhancements for MSChrom, including a new Peak Purity Assessment mode based on the MCR-ALS algorithm for LCMS, along with updated settings for the Molecule Match tool.
<ul><li><strong>Photo:</strong> Mestrelab: What’s New in MSChrom with Mnova 15.1?</li></ul>
  • Photo: Mestrelab: What’s New in MSChrom with Mnova 15.1?

New Peak Purity Assessment mode – MCR-ALS algorithm

With the release of Mnova 15.1 we introduce in Mnova MSChrom the Multivariate Curve Resolution – Alternating Least Squares (MCR-ALS) algorithm for Peak Purity Assessment. This new mode facilitates decision-making which can be applied to any chromatographic channel with spectral information. Mnova further enhances this capability by enabling the combination of multiple chromatographic channels, improving both reliability and performance.

Mestrelab Research: What’s New in MSChrom with Mnova 15.1? Peak Purity Assesment.Mestrelab Research: What’s New in MSChrom with Mnova 15.1? Peak Purity Assesment.

Learn about the advantages of the new Peak Purity Assessment mode in MSChrom, featured in Mnova 15.1, in this whitepaper.

This enhancement integrates MCR as a powerful tool within the Mnova Advanced Chemometrics and Mnova BioHOS plugins for peak purity assessment. The new tool offers detailed plots and data tables for an in-deep analysis, providing greater accuracy and improving your decision-making process to streamline your workflows.

Mestrelab Research: What’s New in MSChrom with Mnova 15.1? Advanced Chemometrics.Mestrelab Research: What’s New in MSChrom with Mnova 15.1? Advanced Chemometrics.

Results from Mnova MSChrom can be seamlessly exported to Advanced Chemometrics and BioHOS via a dedicated export button, ensuring a smooth transition between analyses.

NOTE: Mnova Advanced Chemometrics and Mnova BioHOS require an additional license.

Molecule Match improvements for Mnova MSChrom

The Molecule Match Scoring tool has been enhanced with the introduction of a new Mass Purity Threshold setting in the Molecule Match Settings of Mnova MSChrom. Matches with a mass purity below this threshold are ignored, effectively eliminating chance matches and giving more reliable results. In addition, a new threshold option has been added to the Molecule Match Settings for the number of lines in the Isotope Cluster to use in the matching stage. This setting improves match reliability for low S/N or heavy threshold data as is common in open access setups.

Mestrelab Research: What’s New in MSChrom with Mnova 15.1? Mass Purity Threshold.Mestrelab Research: What’s New in MSChrom with Mnova 15.1? Mass Purity Threshold.

Watch showcase videos of a novel tool for Peak Purity Assessment

SciY/Mestrelab Research
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