<p><strong>In the week of July 13, the following webinars await you in the field of gas / solid phase and especially Raman, FTIR, GC and GC/MS.</strong></p><blockquote><h4><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/webinars"><strong>👉 DETAILS AND REGISTRATION IN THE WEBINARS SECTION</strong></a></h4><p><strong>👉 Search and filter in the largest global database</strong> with over <strong>5 500 GC, LC, MS and spectroscopy webinars</strong>.</p></blockquote><h5><strong>1. Markes International: Understand the aromas consumers really experience</strong></h5><ul><li>Tu, 14.7.2026 10:00 CEST</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/webinar/6382">Registration</a></li></ul><p>Join Markes as they unveil their latest innovation and explore a new approach to helping researchers and product developers gain a deeper understanding of aroma evolution.</p><h5><strong>2. Thermo Fisher Scientific: Helium, PFAS &amp; Recycled Plastics: Addressing Key Challenges in Industrial Laboratories</strong></h5><ul><li>Th, 16.7.2026 08:00 CEST</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/webinar/6337">Registration</a></li></ul><p>Tackle industrial GC challenges. Learn strategies for helium conservation, PFAS testing using TD-GC-MS, and analytical solutions for recycled plastics.</p><h5><strong>3. C&amp;EN: Microplastics Analysis You Can Defend: From Method to Results</strong></h5><ul><li>Th, 16.7.2026 11:00 CEST</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/webinar/6334">Registration</a></li></ul><p>Strengthen your microplastics analysis. Learn how combining LDIR chemical imaging and pyrolysis-GC/MS improves data quality across complex sample matrices.</p>

Webinars LabRulezGCMS Week 29/2026

<p><strong>This study optimizes the quantification of hydrogen point-source emissions through controlled-release experiments using an 8 kW electrolyzer. A multiplatform AirCore sampling system coupled with a high-resolution GC-PDHID simultaneously measured hydrogen, methane, and carbon dioxide to evaluate how sampling conditions influence emission estimates.</strong></p><p>Analysis of UAV and ground-based measurements showed that plume coverage, wind variability, and sampling resolution strongly affect emission accuracy. The results also demonstrated that hydrogen plume behavior closely resembles methane, indicating that established methane monitoring strategies can be adapted for hydrogen leak detection and supporting future assessments of hydrogen as an indirect greenhouse gas.</p><blockquote><h4><strong>The original article</strong></h4><h4><a target="_blank" rel="noopener noreferrer" href="https://pubs.acs.org/doi/10.1021/acsestair.6c00006"><strong>Controlled-Release Experiment to Optimize Emission Quantification of H2 Point Sources</strong></a></h4><p>Iris M. Westra*, Hubertus A. Scheeren, Mareen J. Penninga, Steven M.A.C. van Heuven, and Harro A.J. Meijer</p><p>ACS EST Air 2026, 3, 6, 1576–1585</p><p><a target="_blank" rel="noopener noreferrer" href="https://doi.org/10.1021/acsestair.6c00006">https://doi.org/10.1021/acsestair.6c00006</a></p><h6>licensed under <a target="_blank" rel="noopener noreferrer" href="https://creativecommons.org/licenses/by/4.0/"><strong>CC-BY 4.0</strong></a></h6></blockquote><p><strong>Selected sections from the article follow. Formats and hyperlinks were adapted from the original.</strong></p><div><p>Currently, more than 90% of hydrogen produced is gray hydrogen, derived primarily from steam methane reforming or coal gasification, both of which are carbon-intensive. <a href="javascript:void(0);">(1)</a> Considering the global hydrogen budget, the primary natural source of atmospheric hydrogen is sunlight-driven production (e.g., via methane oxidation), contributing 38 ± 6 Tg yr<sup>–1</sup> (about 55% of the total budget). The largest anthropogenic source of hydrogen is the combined contribution from biofuel burning and wildfires, amounting to 12 ± 4 Tg yr<sup>–1</sup>. <a href="javascript:void(0);">(1)</a> Hydrogen’s indirect Global Warming Potential (GWP) leads to the lengthening of the lifetime of CH<sub>4</sub> and ozone, and to increased levels of stratospheric water vapor (H<sub>2</sub>O). <a href="javascript:void(0);">(2,3)</a> As a result, the GWP of H<sub>2</sub> over a 100-year time scale has been estimated at 11.6 ± 2.8, indicating that H<sub>2</sub> is 12 times more potent than CO<sub>2</sub>. <a href="javascript:void(0);">(4)</a> While this is about half the GWP of CH<sub>4</sub> it underscores the significance of hydrogen’s indirect effects on climate when released into the atmosphere. <a href="javascript:void(0);">(5)</a> Until recently, small but climate-relevant hydrogen emissions remained undetected along the entire hydrogen value chain. However, such hydrogen losses during production, transport, storage and consumption could lead to a greater atmospheric hydrogen burden. <a href="javascript:void(0);">(3)</a> To illustrate the impact of hydrogen leakage, the HC2017 scenario presented in Hauglustaine et al. (2022) shows that, for a hydrogen mix of 30% blue (gray+CCS) and 70% green hydrogen (renewables) with leakage rates of 1–3%, the climate benefit is substantially reduced, with hydrogen CO<sub>2</sub>-equivalent emissions corresponding to 20 to 54% of the avoided CO<sub>2</sub> (based on GWP100 and GWP20, respectively). At higher leakage rates (&gt;10% for a 100-year horizon; &gt; 5% for a 20-year horizon), this hydrogen mix results even in a net climate penalty, where CO<sub>2</sub>-eq emissions exceed the avoided CO<sub>2</sub>.</p><p>Thus, far, current loss rate estimates, ranging up to 10%, are solely based on bottom-up emission estimates (i.e., theory-based). <a href="javascript:void(0);">(6−8)</a> A limited amount of suitable measurement equipment and a current lack in actual measurements causes these estimates to have no validation. <a href="javascript:void(0);">(9)</a></p><p>Only recently, sensitive new techniques to detect low-level hydrogen emissions along the value chain on an atmospheric scale have become available. In our previous study <a href="javascript:void(0);">(10)</a> we combined an established high-precision analysis method (gas chromatograph─pulsed discharge helium ionization detector; GC-PDHID) with a newly applied sampling method (active AirCore <a href="javascript:void(0);">(11)</a>) deployed from various mobile platforms, to detect significant hydrogen emissions originating from a chemistry park in the Netherlands. <a href="javascript:void(0);">(10)</a> In the meantime, Aerodyne Research Inc. (USA) has developed a laser-spectroscopy-based instrument with which atmospheric hydrogen can be measured continuously, through oxidation to water vapor and a subsequent optical measurement, achieving ∼5 ppb precision (per 5 s). <a href="javascript:void(0);">(12,13)</a> The Norwegian oil company Equinor, in collaboration with Advanced Monitoring Solutions (AdMS) and the Department of Chemistry (University of Oslo) in Norway, have developed a mass spectrometer system capable of measuring small atmospheric hydrogen mole fractions (&lt;1 umol mol<sup>–1</sup> i.e., ppm) with a detection limit of ∼10 nmol mol<sup>–1</sup> (i.e., ppb) directly from dried ambient air. <a href="javascript:void(0);">(14)</a> Hence, with these new developments in atmospheric hydrogen detection techniques, the hitherto unknown hydrogen emissions along the hydrogen value chain become visible.</p><p>In the field of emission quantification there is already a wealth of reported experiments for greenhouse gases (GHG), like methane (CH<sub>4</sub>), <a href="javascript:void(0);">(15)</a> with the aim of making emission quantifications more reliable and accurate. These emission estimates help reduce uncertainties in bottom-up estimates of the greenhouse gas (GHG) budget. <a href="javascript:void(0);">(16)</a></p><p>Optimal airborne plume sampling for methane emissions from a point source depends on factors such as the downwind distance, maximum flight time, measurement precision, and atmospheric stability conditions. <a href="javascript:void(0);">(17)</a> Especially during near-source sampling (&lt;500 m downwind), accurate visualization of the plume in both the horizontal (width) and vertical (height) plane is critical for reducing significant discrepancies between measured emissions and inventory estimates. <a href="javascript:void(0);">(18−20)</a> Furthermore, Morales et al. showed that measurement uncertainties increase primarily under conditions of wind speeds below 2 m s<sup>–1</sup>, wind direction variability greater than 33°, and sampling at downwind distances greater than 75 m. So far, under the most favorable measurement conditions, CH<sub>4</sub> emissions could be quantified with an overall uncertainty of at best 30%. <a href="javascript:void(0);">(17)</a></p><p>In this study, we use measurements from a controlled-release experiment to optimize the quantification of hydrogen point-source emissions by identifying the most influential parameters contributing to uncertainties in the emission estimates.</p><p>In the following, we first outline the sampling and analysis techniques, building on Westra et al., <a href="javascript:void(0);">(10)</a> after which we give a site description and further necessary prior information. The observations obtained from ground-based and airborne measurements are analyzed using a Gaussian plume dispersion model combined with a Monte Carlo uncertainty analysis to estimate the emission rate. At the end of the paper the conclusions and outlook on our methodology will be given.</p><h4><strong>2. Materials and Methods</strong></h4><h5><strong>2.4. Analysis Methods</strong></h5><p>The <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=10&amp;search=8890"><strong>Agilent 8890 gas chromatograph</strong></a> pulsed discharged helium ionization detector (GC-PDHID) system setup was designed for the precise and accurate analysis of H<sub>2</sub>, CO<sub>2</sub> and CH<sub>4</sub> in dry ambient air. We chose a PDHID for its high sensitivity, reliability, and good linearity from low to high mole fractions for H<sub>2</sub> (here typically ranging between 0.5 up to 5 ppm). The system setup enables, via a heart-cutting procedure (forward-flush mode of the O<sub>2</sub> and N<sub>2</sub> fraction), the simultaneous detection of CO<sub>2</sub> and CH<sub>4</sub>, which can aid in the source apportionment of atmospheric H<sub>2</sub>.</p><p>Our system design was partly based on the Agilent setup 7890–0237 “Impurities in Monomers Analyzer by PDHID” and a GC setup by Wang et al. <a href="javascript:void(0);">(24)</a> The PDHID system uses Helium 5.0 (99.9999% Vol. %, Westfalen) as carrier gas, for a combination of a HayeSep Q, (G3591–81004, 6 ft,<span><nobr><span><span style="font-size:110%;"><span><span><span><span><span><span style="font-family:STIXMathJax_Main;font-size:70.7%;">1</span><span></span></span><span><span style="font-family:STIXMathJax_Main;font-size:70.7%;">8</span><span></span></span><span><span style="border-top-style:solid;border-top-width:1.3px;vertical-align:0em;"></span><span></span></span></span></span></span><span></span></span></span><span style="border-left-style:solid;border-left-width:0px;vertical-align:-0.507em;"></span></span></nobr></span>” “, 2 mm, 80–100 mesh packed) pre-column, followed by a ShinCarbon (G3591–81187, 2 m, <span><nobr><span><span style="font-size:110%;"><span><span><span><span><span><span style="font-family:STIXMathJax_Main;font-size:70.7%;">1</span><span></span></span><span><span style="font-family:STIXMathJax_Main;font-size:70.7%;">8</span><span></span></span><span><span style="border-top-style:solid;border-top-width:1.3px;vertical-align:0em;"></span><span></span></span></span></span></span><span></span></span></span><span style="border-left-style:solid;border-left-width:0px;vertical-align:-0.507em;"></span></span></nobr></span>”, 2 mm, 50/80 mesh) analytical column for detection of H<sub>2</sub>, CH<sub>4</sub> and CO<sub>2</sub>. For the sample analysis a 2 mL sample loop is flushed at a rate of 43 ± 2 mL min<sup>–1</sup> for 0.01–0.67 min. One chromatogram lasts 15.5 min for the detection cycle of H<sub>2</sub>, CH<sub>4</sub> and CO<sub>2</sub>, and 7.5 min for H<sub>2</sub> only. Retention times for the H<sub>2</sub>–CH<sub>4</sub>–CO<sub>2</sub>-method are 2.8 ± 0.1 min for H<sub>2</sub> with a 4.2 ± 1.0 s wide peak width (PW), 7.7 ± 0.1 min for CH<sub>4</sub> with a 16.8 ± 1 s PW, and 13.9 ± 0.1 min for CO<sub>2</sub> with a 78 ± 1 s PW, and for the single H<sub>2</sub>-method at 2.3 ± 0.1 min for H<sub>2</sub> with a 4.8 ± 1.0 s PW. A more detailed description of the GC analysis is given in <a target="_blank" rel="noopener noreferrer" href="https://pubs.acs.org/doi/suppl/10.1021/acsestair.6c00006/suppl_file/ea6c00006_si_001.pdf">Section S1.1</a>.</p><h4><strong>3. Results and Discussion</strong></h4><h5><strong>3.2. AirCore Results</strong></h5><p>The determined emission rates were achieved by applying the Gaussian dispersion model to the found H<sub>2</sub> enhancements for each transect, and by taking into account the atmospheric conditions during sampling, following the approach outlined in Westra et al. <a href="javascript:void(0);">(10)</a> Using an 8 kW electrolyzer (<a target="_blank" rel="noopener noreferrer" href="https://pubs.acs.org/doi/10.1021/acsestair.6c00006#fig4">Figure 4</a>) with a known, continuous release rate of 1.1 ± 0.1 m<sup>3</sup> h<sup>–1</sup> as a controlled source, we analyzed 14 data sets to determine a mean weighted hydrogen emission rate of 0.94 ± 0.06 m<sup>3</sup> h<sup>–1</sup>. This agrees well within uncertainty with the known source rate. The relative uncertainty (ratio of uncertainty over average) of the emission estimate is 6%, compared to 9% for the known source. The source-based uncertainty was derived from variability in the electrolyzer exhaust monitored over multiple hours. More information with regard to the uncertainty analysis can be found S1.5. All data gathered during the field experiments is given in <a target="_blank" rel="noopener noreferrer" href="https://pubs.acs.org/doi/suppl/10.1021/acsestair.6c00006/suppl_file/ea6c00006_si_001.pdf">Sections S2.1 and S2.4</a>.</p><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/ACS_EST_Air_2026_3_6_1576_1585_Figure_4_Emission_rates_estimated_for_six_sampling_days_using_the_Gaussian_dispersion_model_and_the_Air_Core_technique_a84e3bb1b0.jpg" alt="ACS EST Air 2026, 3, 6, 1576–1585: Figure 4. Emission rates estimated for six sampling days using the Gaussian dispersion model and the AirCore technique, measured downwind of the electrolyzer at varying distances. Measurements were conducted either at ground level (cart icon) or via UAV (drone icon). Boxplots represent results from 500 Monte Carlo simulations, displaying the mean and interquartile range. From 28 to 11–2024 onward the, as described, an optimized sampling method was used." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_ACS_EST_Air_2026_3_6_1576_1585_Figure_4_Emission_rates_estimated_for_six_sampling_days_using_the_Gaussian_dispersion_model_and_the_Air_Core_technique_a84e3bb1b0.jpg 234w," sizes="100vw" width="1453" height="970"></p><p>On day 13–11–2024, the quality of the data collected along the first 100 m trajectory was lower due to a sampling flow rate of ∼45 sccm combined with a relatively high rate of displacement. As a result, the full plume width was not captured, and the spatial resolution of the measurements was insufficient. This limitation, consistent with the findings of Mohammadloo et al., <a href="javascript:void(0);">(15)</a> led to the underestimation of the actual emission rate. Particularly for transect 100 m (1), where the plateau-shaped peak approximated a Gaussian peak, led the dispersion model to substantially underestimate the emission rate (<a target="_blank" rel="noopener noreferrer" href="https://pubs.acs.org/doi/suppl/10.1021/acsestair.6c00006/suppl_file/ea6c00006_si_001.pdf">Sections S1.6 and S2.3</a>). Furthermore, the relatively large spread in data points observed throughout the remaining trajectories of 13–11–2024 can be attributed to the sampling time of the experiment, during which the atmospheric variability (i.e., wind speed and direction) impacted the uncertainty. As a result, the Monte Carlo simulations produced a wider range of solutions due to this variability, and thus a greater spread in the values. So, the impact of the atmospheric conditions could be reduced by minimizing sampling time and thereby reducing the atmospheric variability.</p><p>For day 14–11–2024 (<a target="_blank" rel="noopener noreferrer" href="https://pubs.acs.org/doi/10.1021/acsestair.6c00006#fig5">Figure 5</a>), an average wind speed of 1.7 ± 1 m s<sup>–1</sup> was measured. According to Andersen, <a href="javascript:void(0);">(22)</a> wind speeds below 2 m s<sup>–1</sup> lead to ill-defined wind directions, making the plume less likely to follow a stable path and thereby increasing uncertainty in the emission estimate. Hence, it is likely that the lower wind speed on this day contributed to less reliable results in the emission quantification. Moreover, for day 14–11–2024, the wider spread observed in the estimates (<a target="_blank" rel="noopener noreferrer" href="https://pubs.acs.org/doi/10.1021/acsestair.6c00006#fig4">Figure 4</a>) is attributed to incomplete coverage of the plume width along the 100 m downwind transects.</p><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/ACS_EST_Air_2026_3_6_1576_1585_Figure_5_Trajectory_of_ground_based_Air_Core_profile_downwind_of_the_electrolyzer_2f1d50dfd7.jpg" alt="ACS EST Air 2026, 3, 6, 1576–1585: Figure 5. Trajectory of ground-based AirCore profile downwind of the electrolyzer (shown by the “x”) on 14–11–2024, first round (a, b) and second round (c, d), shown on a 300 m scale and the H2 mole fraction (ppb) given in the legend on the right. The total sampling time of the trajectory was 35 min. Map tiles © Mapbox, data © OpenStreetMap contributors (ODbL), modified by the author." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_ACS_EST_Air_2026_3_6_1576_1585_Figure_5_Trajectory_of_ground_based_Air_Core_profile_downwind_of_the_electrolyzer_2f1d50dfd7.jpg 184w," sizes="100vw" width="1627" height="1383"></p></div>

Controlled-Release Experiment to Optimize Emission Quantification of H2 Point Sources

A Rapid, Antigen-Independent Diagnostic Strategy for Chronic Chagas Disease Based on Serum ATR-FTIR Spectroscopy and Machine Learning

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Mestrelab Mnova Gears – Fraction Analysis software

The tool will evaluate the number and size of peaks present in each fraction, match and assign your target peak, calculate its purity, then score and report the results automatically.

<h3><strong>Automated evaluation of collected elution fractions for decision making</strong></h3>
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<p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Mestrelab_Research_Mnova_Gears_Fraction_Analysis_software_Improve_your_chromatography_outcome_by_taking_informed_decisions_on_pooling_b5ede04d20.jpg" alt="Mestrelab Research: Mnova Gears - Fraction Analysis software: Improve your chromatography outcome by taking informed decisions on pooling, or otherwise, the eluate fractions!"/></p>
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Mestrelab Mnova Gears – Chrom QC software

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<li><strong>Automatic result archiving and databasing</strong></li>
</ul>
<p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Mestrelab_Research_Mestrelab_Mnova_Gears_Chrom_QC_software_d27c9333ee.jpg" alt="Mestrelab Research: Mestrelab Mnova Gears – Chrom QC software."/></p>
<h3><strong>Purification Workflow</strong></h3>
<h4><strong>More Automation</strong></h4>
<p>Looking for an enterprise-level solution for improving your purification and data management procedures? Check the <a href="http://www2.mestrelab.com/l/271522/2024-03-25/3nwskj"><strong>Best Method</strong></a> and <a href="http://www2.mestrelab.com/l/271522/2024-03-25/3nwskm"><strong>Fraction Analysis</strong></a> bricks that also run in full automation, and learn more about our automated databasing solution with Mgears. You have the complete flexibility to combine and adapt these solutions to your standard procedures to reap even more benefits for your organization.</p>
<p><a href="http://www2.mestrelab.com/l/271522/2024-04-10/3p2gsh"><strong>Contact us</strong></a> for more information.</p>
<p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Mestrelab_Research_Mestrelab_Mnova_Gears_Chrom_Best_Method_software_4_f25f63daa7.jpg" alt="Mestrelab Research: Mestrelab Mnova Gears – Chrom QC software."/></p>
<h3><strong>Markets</strong></h3>
<p>Academic, Government &amp; Industrial</p>
<h4><strong>Who should be using Chrom QC?</strong></h4>
<p>Organic chemists, analysts, QC experts, and researchers using quantitative chromatographic methods for quality control, concentration/purity determination, or monitoring/optimization of reactions in one of the following markets and applications:</p>
<ul>
<li>Pharmaceutical/Drug development industry</li>
<li>Food &amp; Beverage industries</li>
<li>Personal care and Cosmetics</li>
<li>Fine chemical synthesis industries</li>
<li>Polymer industries</li>
<li>Academic research laboratories</li>
<li>Contract Research Organizations (CROs)</li>
<li>Quality control of synthesized or acquired compounds prior to registration</li>
<li>Quality control of compound collections prior to use in biological assays</li>
<li>Quality control of finished compounds prior release to the market (drugs, food additives, preservatives, etc.)</li>
<li>Quality control for formulation optimization and definition of storage recommendations</li>
</ul>


Mestrelab Mnova Gears – Affinity Screen software

Automated software tool for processing data from affinity selection mass spectrometry assays.

<h3><strong>Automated solution for affinity selection mass spectrometry data processing, interpretation, and hit identification</strong></h3>
<p><strong>Automated software tool for processing data from affinity selection mass spectrometry assays</strong>, where large libraries of compounds are tested against a target protein or other macromolecules (DNAs/RNAs) using a multiplexed approach.</p>
<p>The Affinity Screen software <strong>sorts input data</strong> files, <strong>processes the data</strong>, and <strong>compares the results</strong> from “free” and “bound” states to determine whether a molecule binds to a target or not. It <strong>generates human-readable reports</strong> where hits can be quickly identified and reviewed by experts to confirm positive result.</p>
<p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Mestrelab_Research_Mestrelab_Mnova_Gears_Affinity_Screen_software_Analyze_up_to_1_M_compounds_in_a_single_click_ee4ab26bc5.jpg" alt="Mestrelab Research: Mestrelab Mnova Gears – Affinity Screen software - Analyze up to 1M compounds in a single click!"/></p>
<blockquote>
<h3><a href="http://www2.mestrelab.com/l/271522/2024-03-25/3nwskt"><strong>Visit MestreLab Research Mnova Gears – Affinity Screen product page to learn more!</strong></a></h3>
</blockquote>
<h3><strong>Affinity Screen Benefits</strong></h3>
<ul>
<li><strong>Analyze affinity selection MS data from any LCMS instrument</strong>, regardless of the format</li>
<li><strong>Customize and streamline the analysis</strong> process from data pick up to results reporting and archiving</li>
<li><strong>Empower less experienced users</strong> to independently perform affinity selection MS assays and obtain results</li>
<li><strong>Minimize errors and enhance efficiency</strong> by reducing manual input</li>
<li><strong>Accelerate lead discovery</strong> by screening up to 1M compounds with a single click</li>
<li>Maintain <strong>control over data quality</strong> by setting controls and flags for result assessment</li>
<li><strong>Save time on routine and irrelevant data analysis</strong>, enabling a focus on innovation and decision-making</li>
</ul>
<p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Mestrelab_Research_Mestrelab_Mnova_Gears_Chrom_Best_Method_software_2_8cff8a724b.jpg" alt="Mestrelab Research: Mestrelab Mnova Gears – Affinity Screen software."/></p>
<h3><strong>Affinity Screen Features</strong></h3>
<ul>
<li><strong>Customizable configuration</strong> for picking up and sorting hundreds of datasets containing data for target-free, +target, and -target samples for each compound mixture with a single click</li>
<li>Flexibility to <strong>define criteria for peak detection and hit scoring</strong></li>
<li>Ability to <strong>review and interact with results</strong>, revise, and recalculate as needed</li>
<li><strong>Traffic light system</strong> indicating the presence or absence of hits in a well</li>
<li><strong>Detailed results for each hit</strong> displayed on a separate page with stacked EICs (Extracted Ion Chromatograms)</li>
<li>Generation of multiple and <strong>customizable outputs</strong>, <strong>automatically archived</strong> (reports can be generated in the user’s desired format, filtering data by target, compound, hit score, etc.)</li>
<li><strong>Results warnings and commenting</strong></li>
<li><strong>Flexible setup</strong> and <strong>robust integration</strong> capability with other laboratory systems</li>
</ul>
<p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Mestrelab_Research_Mestrelab_Mnova_Gears_Affinity_Screen_software_1_9a42987909.jpg" alt="Mestrelab Research: Mestrelab Mnova Gears – Affinity Screen software."/></p>
<h3><strong>Markets</strong></h3>
<p>Academic, Government &amp; Industrial</p>
<h4><strong>Who should be using Affinity Screen?</strong></h4>
<ul>
<li>Drug discovery laboratories</li>
<li>Natural product research</li>
<li>Food and beverage industries</li>
<li>Personal care and cosmetics</li>
<li>Fine chemical synthesis industries</li>
<li>Polymer industries</li>
<li>Research laboratories</li>
<li>Contract Research Organizations (CROs) and other research service providers</li>
<li>Compound library screening for hit identification and lead discovery</li>
<li>Screening natural compounds, polymer-based biomaterials, food additives, etc., to identify their binding to a target protein</li>
</ul>


SciY Mnova Gears – Chrom Reaction Optimization software

With this new  Automated Software Solution for Chemical Reaction Optimization from Mnova Gears, determining the ideal reaction conditions becomes an easy, hassle-free, and quick task.

<h3><strong>Automated Software Solution for Chemical Reaction Optimization</strong></h3><p>With this new <strong>Automated Software Solution for Chemical Reaction Optimization</strong> from Mnova Gears, <strong>determining the ideal reaction conditions</strong> becomes an easy, hassle-free, and quick task. Chrom Reaction Optimization allows you to <strong>track</strong> a defined set of chemicals across <strong>multiple parallel reactions</strong> to compare their levels and <strong>conclude on the best experimental conditions</strong> to employ.</p><p>Set up your workflow from data pick-up to results drop-off, and scale it up as needed. <strong>Results</strong> are matched to the designed experimental points and are delivered <strong>in many formats</strong> including <strong>graphical visuals</strong> to enable quick and informed decision making.</p><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Mestrelab_Research_Mestrelab_Mnova_Gears_Chrom_Reaction_Optimization_software_Automate_data_processes_to_quickly_find_the_safest_most_efficient_c5ed26927d.jpg" alt="Mestrelab Research: Mestrelab Mnova Gears – Chrom Reaction Optimization software: Automate data processes to quickly find the safest, most efficient, cost-effective synthetic schemes for your reactions."></p><blockquote><h3><a target="_blank" rel="noopener noreferrer" href="http://www2.mestrelab.com/l/271522/2024-03-25/3nwsl1"><strong>Visit Mnova Gears – Chrom Reaction Optimization product page to learn more!</strong></a></h3></blockquote><h3><strong>Chrom Reaction Optimization Highlights</strong></h3><ul><li>Seamless <strong>handling of large chromatography datasets</strong> removing bottleneck related to high throughput experimentation approaches</li><li><strong>Robust and repetitive data management workflows</strong> that will replace the tedious manual processing required for each sample</li><li>Huge <strong>time saving</strong> by enabling review-by-exception strategy</li><li><strong>Control over results quality</strong> and easy detection and correction of errors that may occur during processing and analysis</li><li>Quick and <strong>confident decision making</strong> based on global and <strong>graphical reports</strong> with the analysis results</li><li><strong>Structured analytical data reporting and archiving</strong> to comply with standards</li></ul><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Mestrelab_Research_Mestrelab_Mnova_Gears_Chrom_Reaction_Optimization_software_features_a3c019c8e9.jpg" alt="Mestrelab Research: Mestrelab Mnova Gears – Chrom Reaction Optimization software features."></p><h3><strong>Chrom Reaction Optimization Features</strong></h3><h4><strong>Fully customizable and reusable analysis methods</strong></h4><h5><strong>Reaction optimization input, data processing, analysis, reporting and results archiving is fully customizable to fit your needs.</strong></h5><p>Reaction optimization <strong>runs with the Mnova Gears</strong> platform and therefore benefits from the <strong>huge flexibility</strong> in input configuration which allows you to <strong>adapt analysis</strong> to your own data organization and formats. Input can come from disk directories or from the instrument in real time acquisition, and can be organized in many different ways. Mgears can be set to recognize and pick up the data for the analysis.</p><h5><strong>On the other hand, analysis options can be customized:</strong></h5><ul><li>Components to track/ignore</li><li>Compound matching options using structure or retention times</li><li>Analysis thresholds and controls, etc</li></ul><p>All analysis options can be saved, shared, and re-used in the future which allows huge time savings and robustness in the process.</p><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Mestrelab_Research_Mestrelab_Mnova_Gears_Chrom_Reaction_Optimization_software_Fully_customizable_and_reusable_analysis_methods_ad6b3b966c.jpg" alt="Mestrelab Research: Mestrelab Mnova Gears – Chrom Reaction Optimization software: Fully customizable and reusable analysis methods."></p><h4><strong>Flag system for warnings about non-conformances</strong></h4><p>Analysis criteria can be defined by experts and colored <strong>flags configured to get warnings</strong> when sample analysis does not fulfill the specified requirements. For instance, a sample can be flagged when no peaks are detected, when component peaks overlap, and/or when RT variation exceeds an acceptable threshold.</p><p>Detecting these non-conformances is crucial to keep control over results quality. You can <strong>review the flagged sample in the Result Viewer</strong> to <strong>investigate</strong> the problem, easily <strong>correct</strong> peak assignments if needed, and <strong>re-analyze</strong> samples to <strong>update the results</strong>.</p><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Mestrelab_Research_Mestrelab_Mnova_Gears_Chrom_Reaction_Optimization_software_Flag_system_for_warnings_about_non_conformances_60517716c1.jpg" alt="Mestrelab Research: Mestrelab Mnova Gears – Chrom Reaction Optimization software: Flag system for warnings about non-conformances."></p><h4><strong>Graphical summary of results and automatic global reports</strong></h4><p>Chrom Reaction Optimization <strong>simplifies decision making</strong> by generating <strong>global and graphical reports</strong> with the analysis results. Reports are generated in <strong>multiple formats</strong>, including a dynamic html format that allows data sorting (increasing or decreasing order) and export to new reports.</p><p><strong>Quantities</strong> of reaction starting materials, products, and other declared compounds are <strong>graphically represented</strong> in charts making it easier to <strong>decide on the best reaction conditions at a glance</strong>!</p><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Mestrelab_Research_Mestrelab_Mnova_Gears_Chrom_Reaction_Optimization_software_Graphical_summary_of_results_and_automatic_global_reports_c5976ac1f6.jpg" alt="Mestrelab Research: Mestrelab Mnova Gears – Chrom Reaction Optimization software: Graphical summary of results and automatic global reports."></p><h3><strong>Markets</strong></h3><p>Academic, Government &amp; Industrial</p><h4><strong>Who should be using Chrom Reaction Optimization?</strong></h4><p>This Automated Software Solution for Chemical Reaction Optimization is suitable for all Organic, medicinal, and process chemists, in the following market fields:</p><ul><li>(bio)Pharmaceutical / Drug development and manufacturing</li><li>Food &amp; Bev industries / Synthesis of additives, flavors, etc.</li><li>Personal care and Cosmetics industry / Synthesis of preservatives, fragrances, emulsifiers, etc.</li><li>Agrochemical industry/ Synthesis of herbicides, insecticides, etc.</li><li>Polymers industry / Synthesis of new polymers</li><li>Other fine chemicals industries</li></ul>

Wasson GC DHA Hydrocarbon Expert software

DHA analysis easy and simple. Efficient analysis is now even more efficient. Hydrocarbon Expert software.

<p><strong>Wasson-ECE Dragon DHA is a fast, easy to use application for the detailed hydrocarbon analysis of petroleum products by high efficiency gas chromatography. Dragon DHA uses a convenient, graphical interface to provide a one-screen display for visually observing the chromatogram and manipulating the data calculations in order to obtain the optimum results for analysis and data presentation.</strong></p>
<h3><strong>Dragon DHA Includes:</strong></h3>
<ul>
<li><p>Quick database creation.</p>
</li>
<li><p>Fast peak identification and results processing.</p>
</li>
<li><p>“Unknown” tab lists unidentified peaks in order of concentration.</p>
</li>
<li><p>“Unknown indexer” takes the user directly to the unknown peak for identification.</p>
</li>
<li><p>Unique dashboard feature continuously presents the user with all calculated results and instantly recalculates when changes are made.</p>
</li>
<li><p>Hydrocarbon group-type filtering.</p>
</li>
<li><p>Full preview and printing of reports.</p>
</li>
<li><p>Results are bound with chromatographic data for instant retrieval and archiving. </p>
</li>
<li><p>Original files and data are never affected (CFR Part 11/ISO 17025).</p>
</li>
<li><p>Result files are saved as netCDF (.AIA) format files and can be accessed by any third-party application that supports reading .AIA file format.</p>
</li>
<li><p>Result files work as fully functional reference databases.</p>
</li>
<li><p>Full reports are stored with results for easy retrieval without reprocessing.</p>
</li>
</ul>
<p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Altium_International_Wasson_Obrazek_1_Diagram_casti_DHA_chromatogramu_s_identifikovanymi_a_neidentifikovanymi_piky_b50386d9b9.jpg" alt="Wasson: Diagram of the part of the DHA chromatogram with identified and unidentified peaks. Hydrocarbon Expert greatly simplifies the identification of components by comparing the measured chromatogram with a reference."/></p>
<h3><strong>Wasson-ECE Dragon DHA Software</strong></h3>
<p>Wasson-ECE Instrumentation Dragon DHA software uses integrated chromatographic data from commercial GC data systems, i.e. <strong>ChromPerfect</strong>, <strong>EZ Chrome</strong>, <strong>ChemStation</strong>. In fact, any GC data system capable of AIA (ANDI) file output is compatible with Dragon DHA.</p>
<h3><strong>Chemical and Physical Property Calculations</strong></h3>
<ul>
<li><strong>Vapor pressure</strong></li>
<li><strong>Oxygenate content</strong></li>
<li><strong>Relative density</strong></li>
<li>Average <strong>molecular weight</strong></li>
<li>Calculated research <strong>octane number</strong></li>
<li><strong>% carbon, % hydrogen</strong></li>
<li>Calculated <strong>bromine number</strong></li>
<li><strong>Mass% and vol%</strong> multi-substituted ring aromatics</li>
<li><strong>Total boiling point distribution</strong></li>
<li>Wt%, vol%, mole% of <strong>group types by carbon number</strong></li>
<li>Wt%, vol%, mole% of <strong>individual components</strong></li>
</ul>
<p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Altium_International_Wasson_Obrazek_5_V_software_lze_porovnavat_neomezeny_pocet_signalu_a_reportu_Srovnani_lze_provest_na_jakekoli_urovni_od_shrnuti_dle_skupin_po_vlastni_vypocty_9c06f36d16.jpg" alt="Wasson: An unlimited number of signals and reports can be compared in the software. Comparisons can be made at any level, from group summaries to custom calculations."/></p>


Mestrelab Research Chrom SST (System Suitability Testing) software

Chrom SST is a tool designed to automate System Suitability Testing data processing and analysis. It compares SST data to predefined specifications and provides actionable insights on instrument performance.

<p><strong>Automating data analysis for System Suitability Testing</strong></p><p><strong>Chrom SST is a vendor-agnostic tool </strong>designed to <strong>automate System Suitability Testing (SST) data processing and analysis</strong>. It compares SST data to predefined specifications and provides actionable insights on instrument performance.</p><h4><strong>Benefits</strong></h4><ul><li><strong>Integrates with various instruments</strong>, offering flexibility and scalability</li><li>Centralizes data for easy dashboarding enabling <strong>performance monitoring and preventive maintenance</strong></li><li>Enhances lab productivity and instrument uptime by allowing <strong>scheduling and automation of analyses</strong></li><li>Provides accurate and easy-to-interpret results, <strong>reducing manual effort and errors</strong></li></ul><h4><strong>Features</strong></h4><h5><strong>Simplified and Intuitive UI</strong></h5><p><strong>Chrom SST</strong> features a user-friendly interface designed to streamline the setup and execution of analyses, making it accessible even to non-experts. The intuitive layout ensures users can quickly perform essential tasks without requiring extensive training.</p><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Mestrelab_Chrom_SST_Automating_data_analysis_for_System_Suitability_Testing_2_537f61b491.jpg" alt="Mestrelab Research Chrom SST: Simplified and Intuitive UI" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Mestrelab_Chrom_SST_Automating_data_analysis_for_System_Suitability_Testing_2_537f61b491.jpg 245w," sizes="100vw" width="736" height="427"></p><h5><strong>Automated Evaluation and Customization</strong></h5><p>The tool a<strong>utomates the evaluation of system suitability data</strong> against predefined specifications, delivering precise pass/fail outcomes. With robust customization options, users can tailor methods to their specific requirements and reuse them effortlessly, enabling faster setups and ensuring consistent, reliable results.</p><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Mestrelab_Chrom_SST_Automating_data_analysis_for_System_Suitability_Testing_097ef6b122.jpg" alt="Mestrelab Research Chrom SST: Automated Evaluation and Customization" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Mestrelab_Chrom_SST_Automating_data_analysis_for_System_Suitability_Testing_097ef6b122.jpg 245w," sizes="100vw" width="736" height="427"></p><h5><strong>Enhanced Data Presentation</strong></h5><p><strong>Chrom SST</strong> includes a results dashboard and a comprehensive error-handling system. Clear messages and visual flags help identify and resolve system failures promptly, ensuring dependable and accurate performance assessments.</p><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Mestrelab_Chrom_SST_Automating_data_analysis_for_System_Suitability_Testing_3_9cdf4f6d7b.jpg" alt="Mestrelab Research Chrom SST: Enhanced Data Presentation" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Mestrelab_Chrom_SST_Automating_data_analysis_for_System_Suitability_Testing_3_9cdf4f6d7b.jpg 245w," sizes="100vw" width="736" height="427"></p><h5><strong>Versatile Output Formats</strong></h5><p>Chrom SST supports <strong>various output formats</strong>, including Mnova files, PDFs, CSVs, and JSON, ensuring seamless interoperability with third-party tools. This versatility enables data centralization, visualization, and advanced analytics, empowering labs to fully leverage their data’s potentia.</p><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Mestrelab_Chrom_SST_Automating_data_analysis_for_System_Suitability_Testing_4_8c7bae67dd.jpg" alt="Mestrelab Research Chrom SST: Versatile Output Formats" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Mestrelab_Chrom_SST_Automating_data_analysis_for_System_Suitability_Testing_4_8c7bae67dd.jpg 245w," sizes="100vw" width="736" height="427"></p>

DataApex Clarity DHA (Detailed Hydrocarbon Analysis) Extension

The DHA Extension is a software module for DHA calculations and reporting based on supported standards.

<div><div id=""><div><div><div><div><strong>Extension for Detailed Hydrocarbon Analysis. It allows the determination of individual components in spark ignition engine fuels.</strong></div></div></div></div></div></div><div><div id=""><div><div><div><div><div><p>DHA Extension brings you the ability to calculate the properties of the samples directly in the chromatography software with the complete workflow of <strong>data acquisition</strong>, <strong>peak calibration</strong>, <strong>DHA calculations</strong> based on supported norms and reporting. These methods are often referred to as <strong>PONA</strong>, <strong>PIONA</strong>, <strong>O-PON</strong>A, etc.</p><p>Calculations in the <strong>DHA Extension</strong> currently support the <strong>ASTM D-6730</strong> standard and methods developed by <strong>Dani Instruments SA</strong>.</p></div></div></div></div></div></div></div><p><img style="aspect-ratio:1151/879;" src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Data_Apex_Data_Apex_Clarity_DHA_Detailed_Hydrocarbon_Analysis_Extension_2_edfc9ba1f3.jpg" alt="DataApex Clarity DHA (Detailed Hydrocarbon Analysis) Extension" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Data_Apex_Data_Apex_Clarity_DHA_Detailed_Hydrocarbon_Analysis_Extension_2_edfc9ba1f3.jpg 204w," sizes="100vw" width="1151" height="879"></p><p>You can create an <strong>additional custom method</strong> based on your own laboratory condititions or we can implement a standard method as part of the DHA extension at your request.</p><p>If you request to implement another norm in the DHA Extension, please contact us at <a href="mailto:support@dataapex.com">support@dataapex.com</a>.</p><p>The DHA Extension is optional and it can only be used together with <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/999"><strong>Clarity</strong></a>.</p><p>Note that for more complex DHA calculations, Clarity DHA Extension should be complemented by specialized software (e.g. Dragon II DHA© - see the <a target="_blank" rel="noopener noreferrer" href="https://www.dataapex.com/downloads/26175/view">D151 datasheet</a> for more details).</p><p><strong>The DHA Extension is an optional fully integrated addition to </strong><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/999"><strong>Clarity software</strong></a><strong>. It can be ordered as part of a new installation or as an extension to an existing one. There are two variants to this extension:</strong></p><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Data_Apex_Data_Apex_Clarity_DHA_Detailed_Hydrocarbon_Analysis_Extension_bc1e53cf67.jpg" alt="DataApex Clarity DHA (Detailed Hydrocarbon Analysis) Extension" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Data_Apex_Data_Apex_Clarity_DHA_Detailed_Hydrocarbon_Analysis_Extension_bc1e53cf67.jpg 211w," sizes="100vw" width="1223" height="906"></p><h5><strong>p/n A33</strong></h5><ul><li>includes general ASTM-D6730 standard method and the possibility to create custom method.</li></ul><h5><strong>p/n A331</strong></h5><ul><li>includes additional methods developed by DANI Instruments S.p.A</li></ul><h3 data-start="49" data-end="78"><strong data-start="53" data-end="76">Norms specification</strong></h3><h4 data-start="80" data-end="102"><strong data-start="85" data-end="100">ASTM D-6730</strong></h4><ul data-start="103" data-end="302"><li data-start="103" data-end="127">Included in p/n A33.</li><li data-start="128" data-end="302">Standard Test Method for Determination of Individual Components in Spark Ignition Engine Fuels by 100-Metre Capillary (with Precolumn) High-Resolution Gas Chromatography.</li></ul><h4 data-start="304" data-end="328"><strong data-start="309" data-end="326">Custom Method</strong></h4><ul data-start="329" data-end="441"><li data-start="329" data-end="353">Included in p/n A33.</li><li data-start="354" data-end="441">Allows you to create a custom method which meets the conditions in your laboratory.</li></ul><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Data_Apex_Data_Apex_Clarity_DHA_Detailed_Hydrocarbon_Analysis_Extension_3_f5e659a432.jpg" alt="DataApex Clarity DHA (Detailed Hydrocarbon Analysis) Extension" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Data_Apex_Data_Apex_Clarity_DHA_Detailed_Hydrocarbon_Analysis_Extension_3_f5e659a432.jpg 245w," sizes="100vw" width="1233" height="756"></p><h4><strong data-start="452" data-end="475">ASTM D-6730 by DANI</strong></h4><ul data-start="478" data-end="578"><li data-start="478" data-end="535">Method by Dani Instruments SA with cryogenic cooling.</li><li data-start="536" data-end="578">Available only at Dani Instruments SA.</li></ul><h4 data-start="580" data-end="619"><strong data-start="585" data-end="617">ASTM D 2421-02 and D 2598-02</strong></h4><ul data-start="620" data-end="720"><li data-start="620" data-end="677">Method by Dani Instruments SA with cryogenic cooling.</li><li data-start="678" data-end="720">Available only at Dani Instruments SA.</li></ul><h4><strong data-start="731" data-end="758">Extension specification</strong></h4><ul data-start="761" data-end="911"><li data-start="761" data-end="782"><strong data-start="763" data-end="776">Part No.:</strong> A33</li><li data-start="783" data-end="911"><strong data-start="785" data-end="806">Related products:</strong><ul data-start="811" data-end="911"><li data-start="811" data-end="832"><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/999">Clarity</a> (p/n C50)</li><li data-start="835" data-end="864"><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/1000">Clarity Offline</a> (p/n C59)</li><li data-start="867" data-end="911">GC or AS Control module (p/n A23 or A26)</li></ul></li></ul><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Data_Apex_Clarity_DHA_Detailed_Hydrocarbon_Analysis_Extension_2_d15379bcdf.jpg" alt="DataApex Clarity DHA - Detailed Hydrocarbon Analysis Extension" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Data_Apex_Clarity_DHA_Detailed_Hydrocarbon_Analysis_Extension_2_d15379bcdf.jpg 245w," sizes="100vw" width="1995" height="1182"></p>

Mestrelab Mnova Advanced Chemometrics software

Leverage sophisticated multivariate analysis tools such as PCA, PLS, and SIMCA for in-depth data exploration, regression, and classification.

<h4><strong>Advanced Chemometrics for Enhanced Data Analysis</strong></h4><p>Leverage sophisticated multivariate analysis tools such as <strong>PCA, PLS, and SIMCA</strong> for in-depth data exploration, regression, and classification. The user-friendly interface ensures seamless integration of spectral data with analysis results, making it ideal for advanced users seeking powerful chemometric techniques for comprehensive data analysis.</p><h4><strong data-start="641" data-end="654">Benefits:</strong></h4><ul><li><strong>All-in-One Solution</strong>: Offers seamless spectral processing, binning, and analysis with just a few clicks, simplifying workflows and managing complex data efficiently in a single platform.</li><li><strong>Incorporates Recognized Methods:</strong> Includes PCA, PLS, and SIMCA for advanced data analysis and unsupervised chemometrics.</li><li><strong>Powerful and Intuitive Interface:</strong> Provides a user-friendly design for a streamlined analysis experience.</li><li><strong>Improved Classification and Prediction</strong>: Classifies samples with SIMCA and builds predictive models using PLS.</li><li><strong>Noise and Outlier Reduction</strong>: Effectively reduces noise and detects outliers, ensuring accurate and reliable results.</li><li><strong>Expandable Plugin:</strong> Features Higher Order Structure (HOS) capabilities, powered by Mnova BioHOS.&nbsp;</li></ul><h4><strong>Features:</strong></h4><h5><strong>New MCR Tool for Peak Purity Assessment in LCMS Data</strong></h5><p>Introduces an MCR tool based on the MCR-ALS algorithm for peak purity assessment, providing comprehensive tables and plots to streamline LCMS data analysis and enhance decision-making. This tool is available with the Advanced Chemometrics or BioHOS plugins and requires an MSChrom plugin license.</p><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Mestrelab_Research_Mnova_Advanced_Chemometrics_New_MCR_Tool_for_Peak_Purity_Assessment_in_LCMS_Data_94993e71c3.webp" alt="Mestrelab Research: Mnova Advanced Chemometrics - New MCR Tool for Peak Purity Assessment in LCMS Data" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Mestrelab_Research_Mnova_Advanced_Chemometrics_New_MCR_Tool_for_Peak_Purity_Assessment_in_LCMS_Data_94993e71c3.webp 245w," sizes="100vw" width="1920" height="1200"></p><h5><strong>Enhanced Data Analysis with Partial Least Squares (PLS) Regression</strong></h5><p>Facilitates comprehensive analysis and accurate prediction of dependent variables from independent variables (such as binned spectra), while also providing intuitive graphical evaluation tools for deeper insights.</p><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Mestrelab_Research_Mnova_Advanced_Chemometrics_Enhanced_Data_Analysis_with_Partial_Least_Squares_PLS_Regression_7363eca35a.webp" alt="Mestrelab Research: Mnova Advanced Chemometrics - Enhanced Data Analysis with Partial Least Squares (PLS) Regression" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Mestrelab_Research_Mnova_Advanced_Chemometrics_Enhanced_Data_Analysis_with_Partial_Least_Squares_PLS_Regression_7363eca35a.webp 211w," sizes="100vw" width="1175" height="870"></p><h5><strong>Advanced Data Classification with SIMCA Modeling</strong></h5><p>Offers a powerful statistical method for supervised classification of data, allowing researchers to categorize and analyze complex datasets with precision.</p><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Mestrelab_Research_Mnova_Advanced_Chemometrics_Advanced_Data_Classification_with_SIMCA_Modeling_830f63d8a0.webp" alt="Mestrelab Research: Mnova Advanced Chemometrics - Advanced Data Classification with SIMCA Modeling" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Mestrelab_Research_Mnova_Advanced_Chemometrics_Advanced_Data_Classification_with_SIMCA_Modeling_830f63d8a0.webp 195w," sizes="100vw" width="1026" height="820"></p><h5><strong>Advanced PCA Analysis for In-Depth Data Insights</strong></h5><p>Provides features for comprehensive data exploration and visualization, including quantile plots (1D NMR), comparison tools, plot labels display, enhanced selection and interactivity in scores and loadings plots, and additional distance. calculation options in scores plots. These enhancements enable precise, interactive analysis for deeper data insights.</p><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Mestrelab_Research_Mnova_Advanced_Chemometrics_Advanced_PCA_Analysis_for_In_Depth_Data_Insights_32b2644333.webp" alt="Mestrelab Research: Mnova Advanced Chemometrics - Advanced PCA Analysis for In-Depth Data Insights" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Mestrelab_Research_Mnova_Advanced_Chemometrics_Advanced_PCA_Analysis_for_In_Depth_Data_Insights_32b2644333.webp 245w," sizes="100vw" width="1026" height="647"></p>

Mestrelab Mnova Verify software

Designed for synthetic and medicinal chemists, which automatically checks a proposed structure against a set of analytical data, LC-MS or GC-MS and/or 1D NMR and/or 2D NMR.

<h4><strong>Automatic confirmation of structure identity based on NMR and/or LC/GC-MS data</strong></h4><p>Designed for synthetic and medicinal chemists, which automatically checks a proposed structure against a set of analytical data, LC-MS or GC-MS and/or 1D NMR and/or 2D NMR.</p><h4><strong data-start="641" data-end="654">Benefits:</strong></h4><ul><li><strong>Solution coupling NMR </strong>(1H, 13C and HSQC) and <strong>MS techniques</strong> in a commercial off-the-shelf software.</li><li><strong>Helps non-expert users </strong>to take decisions while reducing the workload of the experts.</li><li><strong>Fully automatic analysis</strong> for singletons or batch data.</li><li><strong>Mnova Verify checks</strong> whether the proposed compound is correct!</li><li><strong>Flexibly accepts a variety of inputs</strong> and generate automatically fully customized reports.</li><li><strong>Straightforward results</strong> check that warns about inconsistencies.</li></ul><h4><strong>Features:</strong></h4><h5><strong>Powerful algorithm running behind the scenes</strong></h5><p><strong>This powerful algorithm integrates multiple modules to deliver:</strong></p><ul><li>Automated processing and analysis of 1D &amp; 2D NMR (¹H NMR, HSQC) and LC/GC-MS data.</li><li>Generation of theoretical data for proposed structures.</li><li>Prediction of NMR spectra (¹H, ¹³C, HSQC) and MS data (mass ion, isotopic cluster, fragmentation, MS/MS).</li><li>Comparison of experimental and theoretical data.</li><li>Results presentation using an innovative scoring system.</li></ul><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Mestrelab_Research_Mnova_Verify_Powerful_algorithm_running_behind_the_scenes_be1dfb5e2f.webp" alt="Mestrelab Research: Mnova Verify - Powerful algorithm running behind the scenes" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Mestrelab_Research_Mnova_Verify_Powerful_algorithm_running_behind_the_scenes_be1dfb5e2f.webp 245w," sizes="100vw" width="936" height="427"></p><h5><strong>An easy and flexible scoring system</strong></h5><p>Evaluates analytical data to judge the compatibility of proposed structures:</p><ul><li>Provides a quality score (-1.0 to +1.0) for each structure, combining score and significance.</li><li>Displays detailed results for each test applied.</li><li>Ranks structures to quickly identify the best fit with experimental data.</li><li>Allows easy re-working of unclear results in Mnova.</li></ul><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Mestrelab_Research_Mnova_Verify_An_easy_and_flexible_scoring_system_da1c07eb98.webp" alt="Mestrelab Research: Mnova Verify - An easy and flexible scoring system" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Mestrelab_Research_Mnova_Verify_An_easy_and_flexible_scoring_system_da1c07eb98.webp 245w," sizes="100vw" width="936" height="427"></p><h5><strong>Automated batch &amp; real-time operations</strong></h5><p>Provides QA for large data volumes like libraries or registration QC samples:</p><ul><li><strong>Batch Mode: </strong>Verifies libraries and identifies unsuitable samples for assay submission, generating an HTML report.</li><li><strong>Real-Time Analysis Mode: </strong>Performs unassisted verification of individual samples, providing immediate feedback on structure-data compatibility.</li><li>Requires Mnova v10 or higher (NMR, NMRPredict, and/or MS modules). Additional modules like Mnova DB or qNMR can also be used.</li></ul><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Mestrelab_Research_Mnova_Verify_Automated_batch_and_real_time_operations_6fa9241b15.webp" alt="Mestrelab Research: Mnova Verify - Automated batch &amp; real-time operations" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Mestrelab_Research_Mnova_Verify_Automated_batch_and_real_time_operations_6fa9241b15.webp 245w," sizes="100vw" width="936" height="427"></p>

Mestrelab Mnova DB software

A professional database integrated within Mnova for efficiently shared storage of molecular structures, NMR, LC-MS, GC-MS, and other Mnova objects.

<h4><strong>Store, share and search your chemical and analytical data efficiently</strong></h4><p>A professional database integrated within Mnova for efficiently shared storage of molecular structures, NMR, LC-MS, GC-MS, and other Mnova objects.</p><p>Create new databases, save records with a couple of clicks, and run searches by structure, substructure, specific peak positions, multiplets, or mass peaks.</p><h4><strong data-start="641" data-end="654">Benefits:</strong></h4><ul><li><strong>Database enviroment for storing analytical data</strong> (NMR, LC/GC-MS, UV-Vis, IR, etc.) and chemical structures.</li><li><strong>Ranked queries by chemical struture and/or analytical data,</strong> enabling faster and more efficient data retrieval.</li><li><strong>Tools for managing and controlling your databases</strong>, with password protection for security.</li><li><strong>Quickly create new databases</strong> and save your analytical records in seconds, enhancing efficiency and productivity.</li><li><strong>Access and view reports in a variety of formats</strong>, including tables, records, well plates, and HTML views, for versatile data presentation.</li><li><strong>Manage user accounts with different privilege levels-administrator</strong>, power user, and standard user.</li></ul><h4><strong>Features:</strong></h4><h5><strong>Create a database and save your legacy data</strong></h5><ul><li>Companies and research institutes often have large volumes of analytical data spread across various sources, needing better management to make it shareable and searchable.</li><li>Once stored in the DB, chemists can easily access this data using Sample ID, Compound ID, peak, or Retention Time searches, especially for unknowns.</li><li>Mnova provides scripts to upload multiple NMR and/or LC/GC/MS datasets into a database.</li></ul><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Mestrelab_Research_Mnova_DB_Create_a_database_and_save_your_legacy_data_7e9ee2e6f7.webp" alt="Mestrelab Research: Mnova DB - Create a database and save your legacy data" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Mestrelab_Research_Mnova_DB_Create_a_database_and_save_your_legacy_data_7e9ee2e6f7.webp 245w," sizes="100vw" width="1380" height="801"></p><h5><strong>Save your data during the workflow</strong></h5><ul><li>Chemists can save their work to the Database, making it easily accessible to others later.</li><li>Mnova DB integrates with Mnova Suite, allowing you to save or search data seamlessly during your workflow.</li><li>When working with NMR or LC/GC/MS datasets in Mnova, you can save raw data, parameters, analysis results, annotations, and molecular structures to the database with a couple of clicks.</li></ul><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Mestrelab_Research_Mnova_DB_Save_your_data_during_the_workflow_169e99f805.webp" alt="Mestrelab Research: Mnova DB - Save your data during the workflow." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Mestrelab_Research_Mnova_DB_Save_your_data_during_the_workflow_169e99f805.webp 245w," sizes="100vw" width="1472" height="854"></p><h5><strong>Efficient sharing and searching of your analytical data</strong></h5><p>The basic search query can be the following:</p><ul><li>Structure or substructure</li><li>1D or 2D peak locations</li><li>1D multiplets</li><li>m/z values</li><li>Texts or numerics</li><li>Mnova DB allows you to combine any of the queries listed above, using logic and or operators, this is useful when you need to refine your search results iteratively. Mnova DB also save the results into a temporary database and continue to search to refine it.</li></ul><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Mestrelab_Research_Mnova_DB_Efficient_sharing_and_searching_of_your_analytical_data_8bde34ce47.webp" alt="Mestrelab Research: Mnova DB - Efficient sharing and searching of your analytical data" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Mestrelab_Research_Mnova_DB_Efficient_sharing_and_searching_of_your_analytical_data_8bde34ce47.webp 245w," sizes="100vw" width="1472" height="854"></p><h5><strong>Seamlessly deliver data to your organization</strong></h5><ul><li>We can automate the DB setup so data is automatically imported when acquired by your instruments.</li><li>Chemists will no longer need to browse through file folders to review or analyze data. They can retrieve it directly in Mnova using Sample ID, Sample Number, Compound ID, or structure searches.</li><li>This will save your team time and significantly improve productivity.</li></ul><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Mestrelab_Research_Mnova_DB_Seamlessly_deliver_data_to_your_organization_b4c354eeb3.webp" alt="Mestrelab Research: Mnova DB - Seamlessly deliver data to your organization" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Mestrelab_Research_Mnova_DB_Seamlessly_deliver_data_to_your_organization_b4c354eeb3.webp 245w," sizes="100vw" width="1472" height="854"></p>

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