We are excited to introduce our Mnova Purification Suite, meticulously crafted to offer flexible, modular solutions that address the critical aspects of chromatographic purification. Our suite comprises three modules, each tailored to cater to distinct purification needs:
<h4>Optimizing Separation Conditions with Chrom Best Method:</h4>
Discover the optimal separation conditions for your compound through automated LC-MS data processing, method scoring, and report generation. This streamlines method development, allowing you to pinpoint the most suitable conditions for your compounds, thus minimizing trial-and-error iterations. <a href="http://www2.mestrelab.com/l/271522/2024-03-25/3nwskj">Learn more!</a>
<img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Mestrelab_Research_Introducing_the_Mnova_Purification_Suite_your_solution_for_streamlined_chromatography_purifications_Optimizing_Separation_Conditions_with_Chrom_Best_Method_db29f3dcd9.jpg" alt="Mestrelab Research: Introducing the Mnova Purification Suite - Optimizing Separation Conditions with Chrom Best Method."/>
<h4>Fraction Pooling Decision Support with Fraction Analysis:</h4>
Quickly decide whether to pool collected fractions by automating the analysis, peak matching, purity calculation, and automated result reporting. Make informed decisions about fraction pooling to maximize compound yield and purity, ultimately accelerating your purification process. <a href="http://www2.mestrelab.com/l/271522/2024-03-25/3nwskm">Learn more!</a>
<img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Mestrelab_Research_Introducing_the_Mnova_Purification_Suite_your_solution_for_streamlined_chromatography_purifications_Fraction_Pooling_Decision_Support_with_Fraction_Analysis_ab756f1f64.jpg" alt="Mestrelab Research: Introducing the Mnova Purification Suite - Fraction Pooling Decision Support with Fraction Analysis."/>
<h4>Quality Control Checks with Chrom QC:</h4>
Confirm your analyte&#39;s identity and assess its purity with molecule match score, percentage purity, and concentration assessment. Streamline lot and batch release programs through automated data processing, analysis, and report generation, facilitating enhanced lab productivity. <a href="http://www2.mestrelab.com/l/271522/2024-03-25/3nwskq">Learn more!</a>
<img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Mestrelab_Research_Introducing_the_Mnova_Purification_Suite_your_solution_for_streamlined_chromatography_purifications_Quality_Control_Checks_with_Chrom_QC_4c4f1079de.jpg" alt="Mestrelab Research: Introducing the Mnova Purification Suite - Quality Control Checks with Chrom QC."/>
Whether you choose to implement these modules individually or seamlessly integrate them into an enterprise solution is entirely your prerogative. Flexibility is at the core of our philosophy, and we strive to ensure that our solutions align with your evolving needs.
Like all our Mnova solutions, the Purification Suite is compatible with various lab systems regardless of the vendor, ensuring seamless integration and facilitating unified software platform data handling. Each module offers a suite of fully configurable settings that can be customized to align with your Standard Operating Procedures (SOPs) and preferences, thereby enhancing adaptability and efficiency. Furthermore, these solutions offer advanced reporting and visualization dashboards, providing an interactive interface for reviewing results. You can utilize controls and flags to identify samples requiring review, enabling you to focus on exceptions and recalculate results as necessary. And since we acknowledge that human insight is irreplaceable, should any adjustments be necessary, you have the freedom to manually override results.
If you&#39;re eager to explore our purification data workflows and automation solutions further, or if you have specific inquiries, please do not hesitate to <a href="https://www2.mestrelab.com/l/271522/2022-10-04/3836s2">reach out to us</a>! We are here to assist you every step of the way.

Introducing the Mnova Purification Suite: your solution for streamlined chromatography purifications!

<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

This case study examines how AstraZeneca integrated <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/1492">Chrom SST</a> automation into their purification workflow, enabling daily checks, long-term trend analysis, and preventive maintenance. These advancements minimized downtime and ensured consistent system performance.<h4>Introduction</h4>In early drug discovery, Design-Make-Test-Analyze (DMTA) cycles generate thousands of molecules annually that require thorough analysis. For successful purification, these results must be high-quality, reproducible, and scalable. However, system downtime and the need for re-analysis can significantly slow down the process, making such delays undesirable.<h4>Problem Statement</h4>Manual processing of LCMS data is not only time-consuming but also prone to subjective interpretation. Small fluctuations in peak retention times (RT) are difficult to detect visually, often impacting reproducibility. Additionally, the complexity of ionization processes demands significant operator expertise, presenting further challenges in achieving consistent and reliable results.<h4>Methodology</h4>To address these challenges, AstraZeneca’s analytical and purification lab implemented automated SST analysis using <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/1492">Mnova Gears and Chrom SST</a>. Mnova Gears, deployed on a server, collects and aggregates raw data from multiple instruments several times a day. Chrom SST then automatically analyzes this data, comparing it against user-defined specification files to ensure objective and reliable results. Processed data is stored in a PostgreSQL database and visualized through Spotfire dashboards, providing a streamlined interface for trend analysis and system monitoring.<h4>Results</h4>The integration of automation improved result accuracy and reproducibility while enabling daily performance checks. The addition of advanced analytics and visualization tools supported long-term trend analysis and preventive maintenance, reducing downtime, and ensuring consistent purification performance.<blockquote>To get the full story, you can <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/webinar/4728">check the webinar here</a>.</blockquote>

Automating the processing of analytical data for System Suitability Testing (Case study)

In today’s digital age, the sheer number of solutions available at our fingertips can be overwhelming. A simple search can yield countless results, making it difficult to determine which option truly meets our needs. If you’re a synthetic, organic, medicinal, process, or analytical chemist – or a lab manager or IT/data scientist – working in the pharmaceutical, biotech, or chemical industries, we hope this article will clarify the value and relevance of <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/1085">Chrom Reaction Optimization</a> (Chrom RO) for your specific requirements.<h4>Chrom RO Empowering Development (Scale-up) Stages</h4>Do you work in reaction scale up? Are you optimizing conditions, comparing dozens of reaction variables? If so, Chrom RO is built for you.Imagine turning weeks of data crunching into just a few hours or days. Chrom RO is designed to be a game-changer in the development stages of the value chain. By tracking and quantifying a defined set of compounds in a reaction run in parallel under different conditions to employ. This not only accelerates the development process but also ensures that the most effective and efficient methods are identified and utilized for scale-up.<h4>Chrom RO Value in Discovery</h4>During the discovery phases, scientists may encounter reaction optimization while exploring pathways, understanding mechanisms, or conducting impurity profiling. Chrom RO is valuable in these processes, provided they involve studying the same reaction run in parallel under different conditions. When dealing with different reactions, such as parallel synthesis or library screening, customization through scripting is required. If you need assistance with this, please <a target="_blank" rel="noopener noreferrer" href="https://mestrelab.com/contact">contact our team of experts</a>.<img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Sci_Y_Figure_1_Chrom_RO_is_ideal_for_scale_up_and_early_stage_investigations_210f1637b0.jpg" alt="SciY: Figure 1. Chrom RO is ideal for scale-up and early-stage investigations." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Sci_Y_Figure_1_Chrom_RO_is_ideal_for_scale_up_and_early_stage_investigations_210f1637b0.jpg 234w," sizes="100vw" width="1800" height="1200"><h4>Handling Large Volumes of Data</h4>One of the standout features of Chrom RO is its ability to handle large chromatographic datasets seamlessly. So, if you regularly perform reaction optimizations and manage high volumes of analytical data, this solution will definitely change the way you tackle your work.Gone are days of tedious manual processing for each sample. Chrom RO automates routine data processing, eliminating human errors such as transcription mistakes and number typos. This leads to better data quality and allows chemists to focus on what they do best – innovating and making informed decisions.<h4>A Must-Have for Automated Reaction Optimization Settings</h4>The integration of lab robotics into chemical synthesis has enabled rapid, closed-loop optimization with minimal human intervention. For users with automated reaction optimization, Chrom RO is essential. It automates data processing and analysis, providing results in dashboards for quick decision-making. This makes Chrom RO a powerful tool in the chemist’s arsenal.<h4>Is Chrom RO Compatible with My Data Formats as Needs?</h4>Chrom RO is compatible with any data format supported by Mnova. You can find a full list of these <a target="_blank" rel="noopener noreferrer" href="https://mestrelab.com/articles/ms-supported-formats.html">supported formats here</a>. Below, we highlight the key features and capabilities of Chrom RO to help you assess how it aligns with your specific requirements:<img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Sci_Y_Figure_2_A_complete_and_flexible_framework_for_reaction_monitoring_analysis_and_data_management_9180bce0a5.jpg" alt="SciY: Figure 2. A complete and flexible framework for reaction monitoring, analysis, and data management." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Sci_Y_Figure_2_A_complete_and_flexible_framework_for_reaction_monitoring_analysis_and_data_management_9180bce0a5.jpg 234w," sizes="100vw" width="1800" height="1200">And finally, it is critical to know that Chrom RO is so flexible that it allows you to script what to do with the output, enabling seamless integration with other software you may be using in your lab. This ensures that you can leverage the full potential of Chrom RO without disrupting your existing workflows. Output can be saved to your local folders, SQL and NoSQL databases, or even Electronic Lab Notebooks (ELNs) or Laboratory Information Management Systems (LIMS). These outputs can then be utilized by Business Intelligence (BI) and Artificial Intelligence (AI) tools, further enhancing your data analysis and decision-making processes.

Is Chrom Reaction Optimization for me?

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