<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?

Tailored for laboratories seeking precision, efficiency, and scalability, Chrom SST is the ultimate tool for streamlining data processing and generating AI-ready insights.<h5>Key Features:</h5><ul><li>Automated Data Processing and Analysis</li><li>Customizable and Re-usable Methods</li><li>Easy-to-interpret Pass/Fail Results</li><li>Compatible with Various Chromatography Systems</li><li>Supports Diverse Output Formats</li></ul><h3>Why Choose Chrom SST?</h3>Chrom SST transforms laboratory operations by centralizing data management and consolidating results from multiple instruments into a unified repository for seamless dashboarding and performance monitoring. It enables 24/7 operations and scheduled tests - eliminating the need for human intervention and minimizing instrument downtime. Designed for scalability, Chrom SST ensures consistent performance across growing workloads, diverse instruments, and expanding teams.By adopting Chrom SST, laboratories can enhance efficiency and productivity while leveraging predictive insights to optimize instrument uptime and maintain uninterrupted operations.Learn more about <a target="_blank" rel="noopener noreferrer" href="https://mestrelab.com/main-product/chrom-sst?utm_source=adv&amp;utm_medium=labrulez&amp;utm_campaign=feb&amp;utm_term=chrom%20sst">Chrom SST</a> and <a target="_blank" rel="noopener noreferrer" href="https://www2.mestrelab.com/l/271522/2025-01-31/3thx58">request a demo</a> to see how it can revolutionize your lab operations.<img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Mestrelab_Introducing_Chrom_SST_Automated_and_Accurate_Instrument_Performance_Insights_af0c39857d.jpg" alt="Mestrelab: Introducing Chrom SST Automated and Accurate Instrument Performance Insights" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Mestrelab_Introducing_Chrom_SST_Automated_and_Accurate_Instrument_Performance_Insights_af0c39857d.jpg 245w," sizes="100vw" width="1920" height="1080">

Introducing Chrom SST: Automated and Accurate Instrument Performance Insights

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

With the release of <a target="_blank" rel="noopener noreferrer" href="https://mestrelab.com/main-product/mnova?utm_source=adv&amp;utm_medium=labrulez&amp;utm_campaign=june&amp;utm_term=mnova%2016&amp;utm_content=blogpost">Mnova 16</a>, a new and powerful way to handle results from scientific data analysis is now available by using the NoSQL DB Connector, included in <a target="_blank" rel="noopener noreferrer" href="https://mestrelab.com/main-product/gears?utm_source=adv&amp;utm_medium=labrulez&amp;utm_campaign=july&amp;utm_term=mnova%2016%20-%20nosql&amp;utm_content=app%20note">Mgears 2.7</a>.This new connector enables direct integration with NoSQL databases such as MongoDB and Amazon DocumentDB, allowing for flexible, scalable, and searchable storage of Mgears results – perfect for high-throughput environments and complex workflows.A newly published Application Note explores:<ul><li>When and why connecting Mgears to a NoSQL DB is beneficial</li><li>How to send results from Mgears to a NoSQL DB</li><li>How to build filtered views to show selected sample data</li><li>How to create simple views for use in BI tools like Spotfire</li><li>How data stored in NoSQL DB can be connected to AI frameworks like TensorFlow for building predictive models</li></ul>These capabilities are illustrated with real examples using datasets from LCMS system suitability testing and reaction optimization analysis, demonstrating how this connector offers the capability to handle analytical data in a more dynamic way resulting in faster data-driven decision-making.The connector works with Mgears’ native JSON outputs and avoids the need for predefined schemas – making it especially suitable for workflows that evolve over time.<blockquote><a target="_blank" rel="noopener noreferrer" href="https://mestrelab.com/resources/the-mgears-nosql-db-connector.html?utm_source=adv&amp;utm_medium=labrulez&amp;utm_campaign=july&amp;utm_term=mnova%2016%20-%20nosql&amp;utm_content=app%20note">Read the full Application Note.</a></blockquote>

Mgears 2.7 Introduces a new NoSQL DB Connector

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