<h3>Mnova 15.1 is Here!</h3>We’re excited to announce the release of <a target="_blank" rel="noopener noreferrer" href="https://bit.ly/4evoo5H">Mnova 15.1</a>, packed with new tools, enhanced features, and powerful algorithms designed to enhance your analytical workflows.&nbsp;Whether you're focused on NMR, LC/GC-MS or Electronic &amp; Vibrational Spectroscopic techniques, Mnova 15.1 has something to boost your analytical data analyses and streamline your workflows.<h4>What’s New in Mnova 15.1?</h4>Get a glimpse of the <a target="_blank" rel="noopener noreferrer" href="https://bit.ly/48InTUC">Top features in Mnova 15.1</a>Mnova 15.1 brings significant updates and improvements across our suite of plugins including Mnova NMR, <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/1077">MSChrom</a>, DB, Advanced Chemometrics, BioHOS, StereoFitter, <a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/products/1128">qNMR</a>, Structure Elucidation, IUPAC Name, NMRPredict, <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/1081">Mgears</a>, <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/1084">Affinity Screen</a>, <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/1079">Chrom Best Method</a>, and <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/1085">Reaction Optimization</a>. These updates introduce new functionalities, performance enhancements, and essential bug fixes to optimize your analytical workflows.For a detailed overview of all new enhancements and improvements check out our complete <a target="_blank" rel="noopener noreferrer" href="https://bit.ly/3O1mGhF">Changelog</a>.<h4>Ready to Upgrade?</h4>Don’t miss out on these cutting-edge innovations. Visit our website to <a target="_blank" rel="noopener noreferrer" href="https://bit.ly/4evoo5H">Download Mnova 15.1</a> and take your analytical workflows to the next level.<blockquote><h4>Watch showcase videos of a novel tool for Peak Purity Assessment</h4><ul><li><a target="_blank" rel="noopener noreferrer" href="https://youtu.be/FkJ43lQrMwI">Our solution for LCMS and GCMS included in Mnova MSChrom</a></li><li><a target="_blank" rel="noopener noreferrer" href="https://youtu.be/nab8pR2RAbE">Our solution for chemometrics included in Mnova Advanced Chemometrics and Mnova BioHOS</a></li></ul></blockquote>

What's New in Mnova 15.1?

<h4>New Peak Purity Assessment mode – MCR-ALS algorithm</h4>With the release of Mnova 15.1 we introduce in <a target="_blank" rel="noopener noreferrer" href="https://bit.ly/3UNzWu5">Mnova MSChrom</a> 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.<img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Mestrelab_Research_What_s_New_in_MS_Chrom_with_Mnova_15_1_image_1_100da7b315.jpg" alt="Mestrelab Research: What’s New in MSChrom with Mnova 15.1? Peak Purity Assesment." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Mestrelab_Research_What_s_New_in_MS_Chrom_with_Mnova_15_1_image_1_100da7b315.jpg 245w," sizes="100vw" width="1920" height="1200"><blockquote>Learn about the advantages of the new Peak Purity Assessment mode in MSChrom, featured in Mnova 15.1, in this <a target="_blank" rel="noopener noreferrer" href="https://bit.ly/3VmOjGn">whitepaper</a>.</blockquote>This enhancement integrates MCR as a powerful tool within the <a target="_blank" rel="noopener noreferrer" href="https://bit.ly/4fm6WBT">Mnova Advanced Chemometrics</a> and <a target="_blank" rel="noopener noreferrer" href="https://bit.ly/4erkbAd">Mnova BioHOS</a> 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.<img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Mestrelab_Research_What_s_New_in_MS_Chrom_with_Mnova_15_1_image_2_89623dc2c9.jpg" alt="Mestrelab Research: What’s New in MSChrom with Mnova 15.1? Advanced Chemometrics." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Mestrelab_Research_What_s_New_in_MS_Chrom_with_Mnova_15_1_image_2_89623dc2c9.jpg 245w," sizes="100vw" width="1920" height="1200">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.<h4>Molecule Match improvements for Mnova MSChrom</h4>The Molecule Match Scoring tool has been enhanced with the introduction of a new Mass Purity Threshold setting in the Molecule Match Settings of <a target="_blank" rel="noopener noreferrer" href="https://bit.ly/3UNzWu5">Mnova MSChrom</a>. 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.<img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Mestrelab_Research_What_s_New_in_MS_Chrom_with_Mnova_15_1_image_3_ee091a02de.jpg" alt="Mestrelab Research: What’s New in MSChrom with Mnova 15.1? Mass Purity Threshold." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Mestrelab_Research_What_s_New_in_MS_Chrom_with_Mnova_15_1_image_3_ee091a02de.jpg 245w," sizes="100vw" width="1920" height="1200"><blockquote><h4>Watch showcase videos of a novel tool for Peak Purity Assessment</h4><ul><li><a target="_blank" rel="noopener noreferrer" href="https://youtu.be/FkJ43lQrMwI">Our solution for LCMS and GCMS included in Mnova MSChrom</a></li><li><a target="_blank" rel="noopener noreferrer" href="https://youtu.be/nab8pR2RAbE">Our solution for chemometrics included in Mnova Advanced Chemometrics and Mnova BioHOS</a></li></ul></blockquote>

What’s New in MSChrom with Mnova 15.1?

This year, Mestrelab turns 20, and to celebrate this milestone, we’re excited to announce a special 20% discount offer on new annual licenses purchased at the <a target="_blank" rel="noopener noreferrer" href="https://bit.ly/4eUDVfX">Mestrelab Store</a>.<img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Mestrelab_Research_Celebrate_Mestrelab_s_Anniversary_with_Exclusive_Store_Offers_cover_image_72f6e1331a.jpg" alt="Mestrelab Research: Celebrate Mestrelab’s Anniversary with Exclusive Store Offers! " srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Mestrelab_Research_Celebrate_Mestrelab_s_Anniversary_with_Exclusive_Store_Offers_cover_image_72f6e1331a.jpg 245w," sizes="100vw" width="1920" height="1080">This exclusive offer is open to everyone - whether you're an industry professional, researcher, or part of an academic institution, it's the perfect opportunity to upgrade your toolkit with powerful solutions or begin your journey with our cutting-edge tools.But hurry - these anniversary offers won’t last long! Celebrate with us and take advantage of these deals before they end on November 30, 2024.Visit the <a target="_blank" rel="noopener noreferrer" href="https://bit.ly/4eUDVfX">Mestrelab Store</a> today and join us in making our 20th anniversary memorable.Stay tuned for more surprises and updates as we continue to innovate and grow together.<blockquote>About <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/companies/298">Mestrelab Research</a>:For two decades, we have provided cutting-edge tools to enhance analytical data processing, analysis, and reporting experience. Today, our comprehensive range of products and solutions extends beyond NMR to include LC/GC-MS and other spectroscopies. These tools empower users to automate routine tasks, streamline workflows, and focus on what truly matters—extracting meaningful insights from their data.</blockquote>

Celebrate Mestrelab’s Anniversary with Exclusive Store Offers!

From December 1st to December 31st, 2024, when you purchase any new Mnova license, you'll receive an additional plugin of your choice FREE for 1 year.<blockquote><h5>Check out our tutorial videos for Peak Purity Assessment in LCMS with Mnova MSChrom, Advanced Chemometrics, and BioHOS.</h5><ul><li><a target="_blank" rel="noopener noreferrer" href="https://youtu.be/FkJ43lQrMwI">Peak Purity Assessment for LCMS using MCR mode in Mnova MSChrom</a></li><li><a target="_blank" rel="noopener noreferrer" href="https://youtu.be/nab8pR2RAbE">MCR tool in Mnova chemometric solutions: Advanced Chemometrics and BioHOS</a></li></ul></blockquote>&nbsp;<img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Mestrelab_Research_Mestrelab_Holiday_Special_Get_More_from_Mnova_This_December_Buy_1_Get_1_255c1413bd.jpg" alt="Mestrelab Research: Mestrelab Holiday Special - Get More from Mnova This December: Buy 1 - Get 1!" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Mestrelab_Research_Mestrelab_Holiday_Special_Get_More_from_Mnova_This_December_Buy_1_Get_1_255c1413bd.jpg 245w," sizes="100vw" width="1920" height="1080">Whether you're in industry, government, or academia, this limited-time offer is the perfect way to enhance your analysis toolkit with our powerful suite of tools for NMR, LC/GC-MS, and Electronical &amp; Vibrational Spectroscopic techniques. It’s also an excellent choice for exploring our solutions tailored to specific applications, such as <a target="_blank" rel="noopener noreferrer" href="https://bit.ly/3VgxIne">prediction</a>, <a target="_blank" rel="noopener noreferrer" href="https://bit.ly/4eYNRoC">reaction monitoring</a>, <a target="_blank" rel="noopener noreferrer" href="https://bit.ly/49iDUBh">structure elucidation</a> and <a target="_blank" rel="noopener noreferrer" href="https://bit.ly/3CUNxd6">verification</a>, <a target="_blank" rel="noopener noreferrer" href="https://bit.ly/49gfisB">quantification</a> and <a target="_blank" rel="noopener noreferrer" href="https://bit.ly/3Zu3EHs">mixture analysis</a>, <a target="_blank" rel="noopener noreferrer" href="https://bit.ly/3B8Jvx9">screening</a>, <a target="_blank" rel="noopener noreferrer" href="https://bit.ly/3CQKwuv">chemometrics</a>, <a target="_blank" rel="noopener noreferrer" href="https://bit.ly/41ddyOV">database management</a>, and <a target="_blank" rel="noopener noreferrer" href="https://bit.ly/3ZB1aWL">more</a>!<h4>How It Works:</h4><ol><li>Buy any new Mnova license.</li><li>Choose an additional plugin (of equal or lesser value) for free for 1 year.</li><li>Expand your research capabilities with unmatched tools!</li></ol>Don’t wait—claim your offer now!<h4>Offer Details:</h4><ul><li>Valid: December 1–31, 2024</li><li>Exclusions: Mnova Gears and its plugins/bricks, USP-ID, Mnova Web, Mbook.</li><li>Discounts: Cannot be combined with other discounts (except volume discounts).</li></ul>Act now and give yourself the gift of innovation this holiday season.<a target="_blank" rel="noopener noreferrer" href="https://bit.ly/41euuVs">Visit our web store</a> or <a href="mailto:sales@mestrelab.com" target="_blank" rel="noopener noreferrer">contact</a> us directly to claim your offer now!<blockquote><h4>About <a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/companies/298">Mestrelab Research</a>:</h4>For two decades, we have provided cutting-edge tools to enhance analytical data processing, analysis, and reporting experience. Today, our comprehensive range of products and solutions extends beyond NMR to include LC/GC-MS and other spectroscopies. These tools empower users to automate routine tasks, streamline workflows, and focus on what truly matters—extracting meaningful insights from their data.</blockquote>

Mestrelab Holiday Special - Get More from Mnova This December: Buy 1 - Get 1!

Perhaps the most compelling reason to have <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/1492">Chrom SST</a> is to have a dashboard that allows you to track performance across instruments over time, be alerted to any failures requiring action or even to allow preventative maintenance based on trends before an event happens.However, the exact requirements for a dashboard can vary greatly among individuals and companies. Everyone has a slightly different vision of what it should display and how it should appear. This is why many opt for business intelligence (BI) applications like Spotfire or PowerBI to build their dashboards. Indeed, this is the approach we have taken with Chrom SST – Mgears can write the Chrom SST results to a user-supplied database, and then tools like Spotfire can be used to connect to that, allowing users to create whichever visualizations they require. In other words, we focus on what we do best – data processing and analysis – and we integrate with those who excel at dashboarding and visualization.Connecting to a database is easily achieved using Mgears. You can write to most flavors of SQL databases, using a schema we have designed or any schema you require. As this is achieved via the script engine it can be customized as needed.<h4>The SQL plugin&nbsp;</h4>Mnova has a SQL plugin that allows connection to most used database engines such as SQLite, Oracle, Postgres, and MySQL. The SQL plugin acts as a bridge between Mgears and the database, facilitating the writing of results to your chosen database. BI tools like Spotfire readily connect to these standard database sources, so, once data is being written to the DB, connecting it to the data source is straightforward. &nbsp;<img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Mestrelab_Research_Mnova_SQL_plugin_e0c300430d.webp" alt="Mestrelab Research: Mnova SQL plugin" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Mestrelab_Research_Mnova_SQL_plugin_e0c300430d.webp 245w," sizes="100vw" width="1379" height="365"><h4>Using an output script&nbsp;</h4>To write results to a database, we leverage Mgears’ capability to specify an output script that runs on every sample processed by the system. This allows us to tailor the behaviour of the database write to our exact needs.<img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Mestrelab_Research_Output_script_c7a78115da.webp" alt="Mestrelab Research: Output script" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Mestrelab_Research_Output_script_c7a78115da.webp 245w," sizes="100vw" width="967" height="547">The output tab allows an output script to be run on every sample processed – this is set up to call the script that writes to the database.&nbsp;<h4>The suggested schema&nbsp;</h4>Relational databases have a ‘schema’ – the tables and columns where data is stored within the database. We have designed a schema that allows the results of SST to be easily stored, along with an output script that writes the results to that specific schema. This provides an out of the box solution is available for writing SST results to a database. &nbsp;If you prefer to use a different schema, that is also possible. You can design your own schema and adapt the output script accordingly. You can of course use our schema as a template to refine the output to your needs.<img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Mestrelab_Research_The_schema_used_in_the_out_of_box_solution_9b438e2260.webp" alt="Mestrelab Research: The schema used in the out of box solution." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Mestrelab_Research_The_schema_used_in_the_out_of_box_solution_9b438e2260.webp 180w," sizes="100vw" width="1072" height="929"><h4>Creating a dashboard&nbsp;</h4>BI tools like Spotfire readily connect to standard database sources, so once data is being written to such a DB, connecting it to the data source is straightforward. The details are beyond the scope of this document, but many online tutorials show how to use this inbuilt functionality present in most BI tools. Below is an example of a dashboard created by a customer using Chrom SST and writing results to such a database. &nbsp;Users are free to create one or more dashboards, perhaps a high-level one to show overall status, and more detailed ones for each instrument showing history. Control charts of parameters like peak width over time are very useful in this regard as they allow preventative steps to be taken before specs fail. &nbsp;The limit is only your imagination (and the BI toll you choose!).&nbsp;<img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Mestrelab_Research_Creating_a_dasboard_overview_543ebfc71c.webp" alt="Mestrelab Research: View in Spotfire showing overall status and control chart, created in Spotfire from data in the SST DB." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Mestrelab_Research_Creating_a_dasboard_overview_543ebfc71c.webp 245w," sizes="100vw" width="1280" height="422">

Making a dashboard with Chrom SST results

Affinity Selection Mass Spectrometry (AS-MS) has emerged as a powerful technique for elucidating protein-ligand interactions, providing valuable insights into complex biological systems and playing a pivotal role in advancing the development of novel therapeutics and diagnostics. To enhance the efficiency of AS-MS, ligand multiplexing is often employed, enabling researchers to simultaneously screen up to 200 ligands within a single well and thus screen more extensive compound libraries.However, analyzing high-throughput AS-MS data can be a challenging and time-consuming endeavor, requiring specialized tools and expertise. That's where our software, <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/1084">Affinity Screen</a>, comes in. It automates data analysis, making it easier for researchers to extract meaningful insights from their experiments, accelerating the understanding of protein-ligand interactions and expediting the discovery process.<img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Mestrelab_Research_Affinity_Screen_Screening_libraries_within_minutes_made_possible_a7b0f09fe4.jpg" alt="Mestrelab Research: Affinity Screen - Screening libraries within minutes made possible" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Mestrelab_Research_Affinity_Screen_Screening_libraries_within_minutes_made_possible_a7b0f09fe4.jpg 245w," sizes="100vw" width="1600" height="779"><h4>Key Features</h4><ul><li>Data Detection &amp; Sorting: Easily finds and categorizes input data files, distinguishing between bound, unbound, and reference ligands for each sample</li><li>Peak Assignment: Assigns MS peaks utilizing: Molecular Formula, SMILES, or MW data provided in a CSV file, then generates analytical EICs for each compound</li><li>Compound Mass Matching: Applies the desired method for compound mass matching, whether by assigning the largest peak of the EIC or using mol match scoring, or a combination of both</li><li>Binding Assessment: Calculates a score to determine whether a molecule effectively binds to a target or not, and classifies hits by score</li><li>Interactive Dashboards: Allows review-by-exception, and provides the ability to override results when necessary</li><li>Alerts and Warnings: Displays flags and warnings when encountering MS overlaps, peak assignment failures, or missing peaks</li><li>Real-time Updates: Automatically updates all analysis outputs when changes are introduced by the scientist, maintaining consistency and accuracy throughout the research process</li></ul><h4>Unmatched flexibility to adapt to your needs</h4>Affinity Screen operates within <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/1077">Mnova</a>, our vendor neutral software suite which can handle most LCMS data formats, and <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/1081">Mnova Gears</a>, our low code automation engine which seamlessly integrates with your lab and informatics systems. Affinity Screen boasts a comprehensive array of customizable features, offering the freedom to incorporate custom scripts, thereby enabling a heightened degree of personalization to effortlessly meet your distinct workflow needs.<h4>Transform raw data to actionable results</h4>Eliminate the burdensome overhead associated with extensive LC-MS analyses; benefit from faster and more rigorous data workflows to streamline decision making. Our interactive dashboards simplify data exploration and comprehension eliminating the need to sift through irrelevant data and allow better control over result quality. Identify interesting hits within minutes and expedite your transition to hit validation and optimization.

Affinity Screen: Screening libraries within minutes made possible

Software

Article

Product

Events

Webinars

Application

Academy

Video

Poster

Scientists

Plastics

Environment

Food

Water

Health

Presentation

Scientific article

Interview

Toxicology

Popularization

Science and research

Covid-19

Career

Laboratories

Various

Zaměření

Type of News

Focus

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.

SciY/Mestrelab Research

Pittcon 2026

36th MassSpec Forum Vienna 2026

US HUPO 2026

The science of next-gen ingredients: fermentation, formulation and function

The Data Driven Plant; How AI Transforms Chemical Manufacturing

Process Raman: A Reliable and Versatile Tool For Downstream Process Monitoring and Control For mAB Production