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.<blockquote><h4><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/webinars">👉 DETAILS AND REGISTRATION IN THE WEBINARS SECTION</a></h4>👉 Search and filter in the largest global database with over 5 500 GC, LC, MS and spectroscopy webinars.</blockquote><h5>1. Markes International: Understand the aromas consumers really experience</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>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.<h5>2. Thermo Fisher Scientific: Helium, PFAS &amp; Recycled Plastics: Addressing Key Challenges in Industrial Laboratories</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>Tackle industrial GC challenges. Learn strategies for helium conservation, PFAS testing using TD-GC-MS, and analytical solutions for recycled plastics.<h5>3. C&amp;EN: Microplastics Analysis You Can Defend: From Method to Results</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>Strengthen your microplastics analysis. Learn how combining LDIR chemical imaging and pyrolysis-GC/MS improves data quality across complex sample matrices.

Webinars LabRulezGCMS Week 29/2026

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.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.<blockquote><h4>The original article</h4><h4><a target="_blank" rel="noopener noreferrer" href="https://pubs.acs.org/doi/10.1021/acsestair.6c00006">Controlled-Release Experiment to Optimize Emission Quantification of H2 Point Sources</a></h4>Iris M. Westra*, Hubertus A. Scheeren, Mareen J. Penninga, Steven M.A.C. van Heuven, and Harro A.J. MeijerACS EST Air 2026, 3, 6, 1576–1585<a target="_blank" rel="noopener noreferrer" href="https://doi.org/10.1021/acsestair.6c00006">https://doi.org/10.1021/acsestair.6c00006</a><h6>licensed under <a target="_blank" rel="noopener noreferrer" href="https://creativecommons.org/licenses/by/4.0/">CC-BY 4.0</a></h6></blockquote>Selected sections from the article follow. Formats and hyperlinks were adapted from the original.<div>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–1 (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–1. <a href="javascript:void(0);">(1)</a> Hydrogen’s indirect Global Warming Potential (GWP) leads to the lengthening of the lifetime of CH4 and ozone, and to increased levels of stratospheric water vapor (H2O). <a href="javascript:void(0);">(2,3)</a> As a result, the GWP of H2 over a 100-year time scale has been estimated at 11.6 ± 2.8, indicating that H2 is 12 times more potent than CO2. <a href="javascript:void(0);">(4)</a> While this is about half the GWP of CH4 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 CO2-equivalent emissions corresponding to 20 to 54% of the avoided CO2 (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 CO2-eq emissions exceed the avoided CO2.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>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–1 i.e., ppm) with a detection limit of ∼10 nmol mol–1 (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.In the field of emission quantification there is already a wealth of reported experiments for greenhouse gases (GHG), like methane (CH4), <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>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–1, wind direction variability greater than 33°, and sampling at downwind distances greater than 75 m. So far, under the most favorable measurement conditions, CH4 emissions could be quantified with an overall uncertainty of at best 30%. <a href="javascript:void(0);">(17)</a>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.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.<h4>2. Materials and Methods</h4><h5>2.4. Analysis Methods</h5>The <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=10&amp;search=8890">Agilent 8890 gas chromatograph</a> pulsed discharged helium ionization detector (GC-PDHID) system setup was designed for the precise and accurate analysis of H2, CO2 and CH4 in dry ambient air. We chose a PDHID for its high sensitivity, reliability, and good linearity from low to high mole fractions for H2 (here typically ranging between 0.5 up to 5 ppm). The system setup enables, via a heart-cutting procedure (forward-flush mode of the O2 and N2 fraction), the simultaneous detection of CO2 and CH4, which can aid in the source apportionment of atmospheric H2.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,18” “, 2 mm, 80–100 mesh packed) pre-column, followed by a ShinCarbon (G3591–81187, 2 m, 18”, 2 mm, 50/80 mesh) analytical column for detection of H2, CH4 and CO2. For the sample analysis a 2 mL sample loop is flushed at a rate of 43 ± 2 mL min–1 for 0.01–0.67 min. One chromatogram lasts 15.5 min for the detection cycle of H2, CH4 and CO2, and 7.5 min for H2 only. Retention times for the H2–CH4–CO2-method are 2.8 ± 0.1 min for H2 with a 4.2 ± 1.0 s wide peak width (PW), 7.7 ± 0.1 min for CH4 with a 16.8 ± 1 s PW, and 13.9 ± 0.1 min for CO2 with a 78 ± 1 s PW, and for the single H2-method at 2.3 ± 0.1 min for H2 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>.<h4>3. Results and Discussion</h4><h5>3.2. AirCore Results</h5>The determined emission rates were achieved by applying the Gaussian dispersion model to the found H2 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 m3 h–1 as a controlled source, we analyzed 14 data sets to determine a mean weighted hydrogen emission rate of 0.94 ± 0.06 m3 h–1. 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>.<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">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.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–1 was measured. According to Andersen, <a href="javascript:void(0);">(22)</a> wind speeds below 2 m s–1 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.<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"></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

Article

Webinars

Scientific article

Science and research

Everything from the world of analytical chemistry in one place. We connect people in solving their problems. At Labrulez you will find all the necessary information easily, quickly and clearly. Stop searching and start finding.

LabRulez

Wiley KnowItAll Analytical Edition Software

KnowItAll by Wiley offers a comprehensive solution for identifying, analyzing, and managing analytical data, enhancing spectral analysis speed and overall lab efficiency.

Solutions for IR, MS, NMR, Raman, &amp; UV-Vis<blockquote>More information on the Wiley Science Solutions website: <a target="_blank" rel="noopener noreferrer" href="https://sciencesolutions.wiley.com/knowitall-analytical-edition-software/">KnowItAll Analytical Edition Software</a></blockquote><h5>Accelerate Spectral Analysis &amp; Boost Efficiency!</h5>KnowItAll by Wiley is an all-in-one solution for identifying, analyzing, and managing spectral data, streamlining lab workflows.<ul data-start="208" data-end="581" data-is-only-node="" data-is-last-node=""><li data-start="208" data-end="328">User-friendly interface with tools for processing, searching, mixture analysis, deconvolution, and reporting</li><li data-start="329" data-end="406">Patented spectral intelligence for automated, expert-driven workflows</li><li data-start="407" data-end="481">Supports multiple techniques &amp; vendor formats for full flexibility</li><li data-start="482" data-end="581" data-is-last-node="">Integrated with Wiley’s high-quality spectral databases for faster, more accurate results</li></ul><figure class="image"><img style="aspect-ratio:1922/1036;" src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Wiley_Wiley_Know_It_All_Analytical_Edition_Software_cover_a703599ad2/Wiley-Wiley-KnowItAll-Analytical-Edition-Software-cover.jpg" alt="Wiley: Wiley KnowItAll Analytical Edition Software" width="1922" height="1036"></figure><h4>Streamline Your Analysis with KnowItAll</h4>KnowItAll integrates all essential tools and data into a single, user-friendly platform, saving you time, optimizing workflows, and enhancing data interpretation.<h4>Compatible Data Types</h4>A vendor-neutral solution, KnowItAll supports 130+ instrument formats, ensuring seamless workflow continuity even as lab equipment evolves.<ul data-start="408" data-end="518"><li data-start="408" data-end="473">Spectroscopic Techniques: IR, MS, NIR, NMR, Raman, UV-Vis</li><li data-start="474" data-end="518">Chromatograms &amp; Molecular Structures</li></ul><h3 data-start="520" data-end="542">Key Features</h3>Eliminate the need for multiple software packages—KnowItAll combines powerful tools in one intuitive interface for seamless transitions between tasks.<ul data-start="701" data-end="998"><li data-start="701" data-end="750">Comprehensive Spectrum &amp; Mixture Analysis</li><li data-start="751" data-end="799">Database Management &amp; Advanced Searching</li><li data-start="800" data-end="863">Structure Drawing &amp; Professional Reporting (ChemWindow)</li><li data-start="864" data-end="907">Spectrum Processing &amp; Deconvolution</li><li data-start="908" data-end="956">Extensive Spectral Library Subscriptions</li><li data-start="957" data-end="998">Quantitative Analysis Module</li><li data-start="1030" data-end="1072">IR/Raman functional group analysis</li><li data-start="1073" data-end="1128">MS reverse &amp; adaptive search (patente)</li><li data-start="1129" data-end="1174">Automated MS deconvolution &amp; analysis</li><li data-start="1175" data-end="1212">NMR chemical shift prediction</li></ul><h4>What’s Included?</h4><h5>Data Toolbox</h5><ul data-start="1264" data-end="1540"><li data-start="1264" data-end="1318">ID Expert™ – One-click spectral identification</li><li data-start="1319" data-end="1411">SearchIt™ – Advanced database search with mixture analysis &amp; multi-technique support</li><li data-start="1412" data-end="1470">MineIt™ – Spectral database creation &amp; data mining</li><li data-start="1471" data-end="1540">QC Expert™ – Quality control for IR, Raman, and Chromatograms</li></ul><h5>Spectral Processing Toolbox</h5><ul data-start="1581" data-end="1716"><li data-start="1581" data-end="1652">MS Expert™ – GC-MS deconvolution with automated database search</li><li data-start="1653" data-end="1716">ProcessIt™ – Spectrum processing for IR, MS, NMR, Raman</li></ul><h5>Spectral Analysis Toolbox</h5><ul data-start="1755" data-end="1882"><li data-start="1755" data-end="1827">AnalyzeIt™ – Functional group analysis for IR, Raman, &amp; polymers</li><li data-start="1828" data-end="1882">PredictIt™ NMR – NMR chemical shift prediction</li></ul><h5>Basics Toolbox</h5><ul data-start="1910" data-end="2115"><li data-start="1910" data-end="1965">ChemWindow – Full-featured 2D structure drawing</li><li data-start="1966" data-end="2049">ReportIt™ – Professional reporting for structures, spectra, &amp; chromatograms</li><li data-start="2050" data-end="2115">BrowseIt™ – Web portal with KnowItAll resources &amp; updates</li><li data-start="2050" data-end="2115">Optional Quantitation Module - Enhance GC-MS, IR, Raman, UV-Vis, and GC workflows with integrated quantification.</li></ul><h5>Access High-Quality Spectral Libraries</h5><ul><li>Subscribe to Wiley’s industry-leading IR, MS, NMR, Raman, and UV-Vis spectral databases for optimal analytical accuracy.</li></ul><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Wiley_Wiley_Know_It_All_Analytical_Edition_Software_Know_It_All_Spectral_Libraries_2fdbf59fd0/Wiley-Wiley-KnowItAll-Analytical-Edition-Software-KnowItAll-Spectral-Libraries.jpg" alt="Wiley: Wiley KnowItAll Analytical Edition Software - KnowItAll Spectral Libraries" width="474" height="343"><h4>System Recommendations &amp; Compatibility</h4><ul><li><a target="_blank" rel="noopener noreferrer" href="https://sciencesolutions.wiley.com/system-recommendations/">See system recommendations here.</a></li><li><a target="_blank" rel="noopener noreferrer" href="https://sciencesolutions.wiley.com/knowitall-supported-file-formats/">View file formats supported.</a></li></ul>*Subscription required to KnowItAll Spectral Libraries.

Wiley SmartSpectra Raman Database Collection

Unlock a broader spectrum of possibilities with Wiley SmartSpectra Databases, enhancing your chemical compound coverage to ensure more accurate and comprehensive unknown identification.

<blockquote>Unlock a broader spectrum of possibilities with Wiley SmartSpectra Databases, enhancing your chemical compound coverage to ensure more accurate and comprehensive unknown identification.More information on the Wiley Science Solutions website: <a target="_blank" rel="noopener noreferrer" href="https://sciencesolutions.wiley.com/solutions/technique/raman/wiley-smartspectra-raman-database-collection/">Wiley SmartSpectra Raman Database Collection</a></blockquote>The Wiley SmartSpectra Raman Database Collection offers access to 33,163 high-quality spectra for identifying unknown compounds and enhancing analytical workflows. Built on Wiley’s trusted databases, it ensures scientifically sound results.<h5>Key Benefits:</h5><ul data-start="276" data-end="738" data-is-only-node="" data-is-last-node=""><li data-start="276" data-end="352">Aids in identifying rare compounds when empirical databases lack matches</li><li data-start="353" data-end="438">Supports functional group classification, excelling with rigid structures</li><li data-start="439" data-end="530">Derived from Wiley’s high-quality empirical datasets, including Sadtler spectra</li><li data-start="531" data-end="599">Covers a wide range of compound classes for diverse applications</li><li data-start="600" data-end="689">Includes metadata (physical properties, chemical structures) for precise searches</li><li data-start="690" data-end="738" data-is-last-node="">Validated by Subject Matter Experts (SMEs)</li></ul><h4>So, just how much can the SmartSpectra database expand your compound coverage?</h4>The SmartSpectra database accelerates spectral identification by expanding chemical compound coverage. As shown, SmartSpectra data (red) extends the chemical space of the empirical dataset (blue), significantly increasing compound coverage.<img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Wiley_Wiley_Smart_Spectra_Raman_Database_Collection_Wiley_Raman_empirical_data_only_blue_Smart_Spectra_Raman_data_included_red_da42d540b6.jpg" alt="Wiley: Wiley SmartSpectra Raman Database Collection - Wiley Raman empirical data only (blue), SmartSpectra Raman data included (red)."><h4>Applications</h4>Use the SmartSpectra collection with empirical databases for Raman spectroscopy.<h4>Trusted Data</h4>Wiley is a leading source for spectral data. Its Sadtler databases undergo rigorous quality protocols, from data acquisition to database development. All partner data is thoroughly vetted before inclusion.<blockquote>KnowItAll is a trademark of John Wiley &amp; Sons, Inc. in certain jurisdictions.Subscription content is subject to change as data may be added or deleted from collections periodically.</blockquote><h3>Databases Included</h3>Subscription includes access to 11 databases including:<ul><li>Wiley SmartSpectra Raman Database of General Compounds (24,585 spectra)</li><li>Wiley SmartSpectra Raman Database of Biochemicals (59 spectra)</li><li>Wiley SmartSpectra Raman Database of Chemical Standards (6,458 spectra)</li><li>Wiley SmartSpectra Raman Database of Drugs (130 spectra)</li><li>Wiley SmartSpectra Raman Database of Dyes (36 spectra)</li><li>Wiley SmartSpectra Raman Database of Explosives and Hazmat Compounds (51 spectra)</li><li>Wiley SmartSpectra Raman Database of Food Related Compounds (277 spectra)</li><li>Wiley SmartSpectra Raman Database of Hydrocarbons (527 spectra)</li><li>Wiley SmartSpectra Raman Database of Industrial Compounds (439 spectra)</li><li>Wiley SmartSpectra Raman Database of Pollutants (449 spectra)</li><li>Wiley SmartSpectra Raman Database of Monomers (152 spectra)</li></ul><h3>Additional information</h3>This SmartSpectra library contains the following valuable metadata to help you narrow and refine your search results:<ul><li>Chemical Structure</li><li>Chemical Name</li><li>Exact Mass</li><li>Formula</li><li>IUPAC InChI/InChIKey</li><li>Molecular Weight</li><li>Nominal mass</li><li>Spectrum/Structure Validation Score</li></ul><h3>Compatibility</h3><ul><li>Recommended as a supplement to the KnowItAll IR Spectral Library collection of curated empirical data.</li><li>For use with KnowItAll 2024 software.</li><li>KnowItAll software is compatible with most major instrument formats. For full KnowItAll file format compatibility information, please visit <a target="_blank" rel="noopener noreferrer" href="https://sciencesolutions.wiley.com/compatibility/">sciencesolutions.wiley.com/compatibility</a>.</li></ul>

Mestrelab Mnova Gears - Chrom Cal software

Chrom Cal is an advanced software solution developed by Mestrelab Research to automate and streamline the creation of calibration curves for accurate chromatographic quantitation

<h4>Automated evaluation and generation of calibration curves for multiple compounds</h4>Chrom Cal is an advanced software solution developed by Mestrelab Research to automate and streamline the creation of calibration curves for accurate chromatographic quantitation. Fully integrated within the Mnova suite, Chrom Cal efficiently processes spectral datasets, plots integration areas against known analyte concentrations, performs statistical analyses to fit calibration lines, validates results based on pre-set criteria, and generates automatic reports and result files for downstream quantitation. This comprehensive approach enhances both efficiency and accuracy, effectively handling multiple compounds simultaneously.<h4>Benefits:</h4><ul><li>Easy generation of calibration curves for all the compounds in one run.</li><li>Huge time saving on result reviewing, enabling a review-by-exception strategy.</li><li>Better understanding and revision of the results taking into account the spectral context.</li><li>Seamless transfer of calibration results to downstream analyses, avoiding transcription errors.</li></ul><h4>Features:</h4><h5>Automatic pick-up and grouping of spectral datasets for analysis</h5>Chrom Cal is fully integrated in Mnova and can handle spectral datasets, extracting the information needed for calculating calibration curves without the need for data transcription into third-party software or spreadsheets. After data ingestion, Chrom Cal can detect and group samples from different compounds automatically based on an input CSV file, allowing calibration curves for those compounds to be generated in a single run.<img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Mestrelab_Research_Mestrelab_Mnova_Gears_Chrom_Cal_Automatic_pick_up_and_grouping_of_spectral_datasets_for_analysis_f4dab8cce6.webp" alt="Mestrelab Research: Mestrelab Mnova Gears - Chrom Cal - Automatic pick-up and grouping of spectral datasets for analysis" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Mestrelab_Research_Mestrelab_Mnova_Gears_Chrom_Cal_Automatic_pick_up_and_grouping_of_spectral_datasets_for_analysis_f4dab8cce6.webp 182w," sizes="100vw" width="1282" height="1100"><h5>Powerful algorithms to fit calibration curves and evaluate results based on pre-defined quality requirements</h5>Chrom Cal processes spectral data, integrates compound peaks, and fits calibration curves to data points in a fully automated fashion. Acceptance criteria, such as R² value thresholds or slope ranges, and cross-validation rules can be pre-defined in the method and evaluated at the end of the analysis to approve or reject calibration results. This allows control over the quality and linearity of results and speeds up the result reviewing process.<img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Mestrelab_Research_Mestrelab_Mnova_Gears_Chrom_Cal_Powerful_algorithms_to_fit_calibration_curves_and_evaluate_results_based_on_pre_defined_quality_requirements_65569ca27a.webp" alt="Mestrelab Research: Mestrelab Mnova Gears - Chrom Cal - Powerful algorithms to fit calibration curves and evaluate results based on pre-defined quality requirements" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Mestrelab_Research_Mestrelab_Mnova_Gears_Chrom_Cal_Powerful_algorithms_to_fit_calibration_curves_and_evaluate_results_based_on_pre_defined_quality_requirements_65569ca27a.webp 245w," sizes="100vw" width="1448" height="910"><h5>Live results in tables and plots</h5>Calibration and validation results are displayed in a result viewer that allows both global and detailed review of the data. Users can navigate between compounds to check standard curve plots and parameters. Each data point on the graph is dynamically linked to results tables and spectra. Users can zoom in or out on the plot, include or exclude samples from the analysis, or correct peak assignments or integrations when needed, with results automatically recalculated.<img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Mestrelab_Research_Mestrelab_Mnova_Gears_Chrom_Cal_Live_results_in_tables_and_plots_a3b64eaabb.webp" alt="Mestrelab Research: Mestrelab Mnova Gears - Chrom Cal - Live results in tables and plots" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Mestrelab_Research_Mestrelab_Mnova_Gears_Chrom_Cal_Live_results_in_tables_and_plots_a3b64eaabb.webp 245w," sizes="100vw" width="1328" height="827"><h5>Multiple analysis outputs nicely generated and organized</h5>Chrom Cal generates automatic CSV, Mnova, PDF, and HTML reports with calibration and validation results, saved in chosen locations along with metadata, logs, and settings, improving data management. Calibration results in JSON files feed downstream quantitative analysis, allowing extraction without manual transcription, reducing errors, and saving time.<img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Mestrelab_Research_Mestrelab_Mnova_Gears_Chrom_Cal_Multiple_analysis_outputs_nicely_generated_and_organized_86d47119e2.webp" alt="Mestrelab Research: Mestrelab Mnova Gears - Chrom Cal - Multiple analysis outputs nicely generated and organized" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Mestrelab_Research_Mestrelab_Mnova_Gears_Chrom_Cal_Multiple_analysis_outputs_nicely_generated_and_organized_86d47119e2.webp 245w," sizes="100vw" width="1153" height="709">

Mestrelab Mbook 4.0 

Mbook, a powerful Electronic Laboratory Notebook (ELN), is designed specifically for chemists, providing a streamlined solution for managing experimental data.

Designed by chemists, for chemistsIn today's chemistry labs, efficiency, data security, and seamless collaboration are essential for success. <a target="_blank" rel="noopener noreferrer" href="https://mestrelab.com/main-product/mbook-chemistry?utm_source=adv&amp;utm_medium=labrulez&amp;utm_campaign=mar&amp;utm_term=mbook&amp;utm_content=blogpost">Mbook</a>, a powerful Electronic Laboratory Notebook (ELN), is designed specifically for chemists, providing a streamlined solution for managing experimental data, analytical results, team coordination, stockroom inventory, and overall workflow efficiency.<img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Mbook_Header_Image_e5fa76cd18.jpg" alt="Mestrelab Research: Mbook 4.0" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Mbook_Header_Image_e5fa76cd18.jpg 242w," sizes="100vw" width="1406" height="906"><h4>Why choose Mbook?</h4>Mbook 4.0 is more than just an ELN for recording your reactions, projects, or experiments—it offers advanced capabilities to optimize your laboratory management, including:<ul><li>Experiment witnessing for enhanced supervision and confidence</li><li>COSHH assessments to simplify chemical safety management</li><li>Comprehensive inventory management with a Compound DB of over 2,500 preloaded compounds</li><li>Customizable Stockroom with PDF exportable options</li><li>Bottle consumption and tracking for accurate inventory control</li><li>Customizable Reports for actionable insights</li><li>Integrated raw data processing and analysis powered by Mnova 15.1</li><li>In-app messaging system for seamless communication</li><li>Advanced experiment write-up section for detailed documentation …and much more!</li></ul><h4>What’s New in Mbook 4.0?</h4>Mbook continues to evolve with cutting-edge features and improvements. Mbook 4.0 is now available, bringing enhanced usability, performance upgrades, and deeper integration with advanced analytical tools. Explore its powerful features today! Start optimizing your lab workflow today! <a target="_blank" rel="noopener noreferrer" href="https://mestrelab.com/mbook-trial">Click here </a>to begin your free trial of Mbook.

Mestrelab Mnova Hub software

Mnova Hub is a data browser that connects to various data providers and allows you to seamlessly retrieve, modify, and store data from within Mnova.

Streamlining Data Access and Exploration through Seamless IntegrationSpectral data is often scattered across diverse file systems and cloud-based repositories and is difficult to access. Mnova Hub is a data browser that connects to various data providers and allows you to seamlessly retrieve, modify, and store data from within Mnova, offering a centralized platform for exploration and analysis.<h4>Benefits:</h4><ul><li>Seamlessly push and pull data from various providers using our unique data browser tool.</li><li>Cut out the middleman! Forget about manually downloading data; open and view it directly within Mnova.</li><li>Do not compromise security for easy data browsing; enjoy the ‘best of both worlds’ by effortlessly navigating secure data platforms.</li></ul><h4>Features:</h4><h5>Connection to various data providers</h5>Mnova Hub provides easy and safe connections to various data sources, including databases (SQL and MnDB), Scientific Data Management Systems and data hubs (LOGS, ZONTAL), TopSpin (part of the Bruker Chemist Suite), and file systems. Each provider has a unique setup dialog that allows for customized configuration. Its flexible design ensures that integrating new providers is easily achievable.<img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Mestrelab_Research_Mestrelab_Mnova_Hub_Connection_to_various_data_providers_ecc1b930ce.webp" alt="Mestrelab Research: Mestrelab Mnova Hub - Connection to various data providers." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Mestrelab_Research_Mestrelab_Mnova_Hub_Connection_to_various_data_providers_ecc1b930ce.webp 245w," sizes="100vw" width="1104" height="641"><h5>Data searches and filtering</h5>Mnova Hub has a configurable results display table that adapts to your preferences, allowing you to preview data, sort and filter results using available metadata filters, and fine-tune your search. This enables you to quickly and efficiently identify relevant datasets.<img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Mestrelab_Research_Mestrelab_Mnova_Hub_Data_searches_and_filtering_fd7c371f66.webp" alt="Mestrelab Research: Mestrelab Mnova Hub - Data searches and filtering" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Mestrelab_Research_Mestrelab_Mnova_Hub_Data_searches_and_filtering_fd7c371f66.webp 245w," sizes="100vw" width="1196" height="694"><h5>Seamless Data Management with Cloud Advantages</h5>Mnova Hub offers a seamless experience for opening and saving data with just one step, akin to managing files on a local file system. With Mnova Hub, you no longer need to compromise between the convenience of local file handling and the advanced security, accessibility, and searchability features of cloud storage.<img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Mestrelab_Research_Mestrelab_Mnova_Hub_Seamless_Data_Management_with_Cloud_Advantages_8b8effce32.webp" alt="Mestrelab Research: Mestrelab Mnova Hub - Seamless Data Management with Cloud Advantages." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Mestrelab_Research_Mestrelab_Mnova_Hub_Seamless_Data_Management_with_Cloud_Advantages_8b8effce32.webp 245w," sizes="100vw" width="1104" height="640">

Mestrelab Mnova ElViS software

By integrating Mnova ElViS into your analytical workflows, you can enhance the efficiency and accuracy of your spectroscopic data analysis across a wide range of techniques.

<h4>Visualize, process, analyze and report various electronic and vibrational spectroscopic techniques</h4>Carry out the analysis of various optical spectroscopy data including ultraviolet and visible (UV/Vis), near and mid infrared (NIR/MIR), Raman, fluorescence, and other spectroscopic methods operating in the whole region of wavelength from 100 nm to 100 µm.<h4>Benefits:</h4><ul><li>Spectroscopic processing and analysis of ultraviolet and visible (UV/Vis), near and mid infrared (NIR/MIR), Raman, fluorescence methods.</li><li>Vendor and Operating System agnostic, supports most data file formats.</li><li>Wide range of processing functions, including a dynamic processing template.</li><li>Manual and automatic peak picking analysis.</li><li>Data Analysis of stacked/arrayed spectra.&nbsp;</li></ul><h4>Features:</h4><h5>PLS-Based Baseline Correction Tool (IarPLS)</h5>To improve the processing of electronic and vibrational spectroscopy data, Mnova 15 introduces an enhanced PLS-based baseline correction tool, IarPLS (penalized-least-squares based). It now features an automatic button to compute the near-optimal asymmetry parameter.&nbsp;<img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Mestrelab_Research_Mnova_EI_Vis_PLS_Based_Baseline_Correction_Tool_Iar_PLS_f3180f6927.webp" alt="Mestrelab Research: Mnova EIVis - PLS-Based Baseline Correction Tool (IarPLS)." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Mestrelab_Research_Mnova_EI_Vis_PLS_Based_Baseline_Correction_Tool_Iar_PLS_f3180f6927.webp 245w," sizes="100vw" width="1500" height="845"><h5>Normalization Processing Modes</h5>Three Normalization Processing modes, namely Largest Peak, Integral and Vector Length are available in Mnova 15. These three features aim to simplify the baseline correction process, streamline your workflow, and provide a rapid method for normalizing data to address quantitative issues.&nbsp;<img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Mestrelab_Research_Mnova_EI_Vis_Normalization_Processing_Modes_675cb7c407.webp" alt="Mestrelab Research: Mnova EIVis - Normalization Processing Modes" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Mestrelab_Research_Mnova_EI_Vis_Normalization_Processing_Modes_675cb7c407.webp 245w," sizes="100vw" width="1500" height="844"><h5>Electronic and Vibrational Spectroscopies supported file formats</h5>Mnova ElViS supports the most frequently used data file formats for these analytical techniques, including import and export of single and multi-column matrix-like spectra (i.e., ASCII XY and XYY, as .txt or .csv files). Supported formats include SPC (Galactic), JCAMP-DX, OPUS (Bruker), SPA and SPG (Omnic), Perkin Elmer's .sp files, and ASCII (XY and XYY).<img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Mestrelab_Research_Mnova_EI_Vis_Electronic_and_Vibrational_Spectroscopies_supported_file_formats_bb6afc3eab.webp" alt="Mestrelab Research: Mnova EIVis - Electronic and Vibrational Spectroscopies supported file formats" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Mestrelab_Research_Mnova_EI_Vis_Electronic_and_Vibrational_Spectroscopies_supported_file_formats_bb6afc3eab.webp 245w," sizes="100vw" width="1500" height="910"><h5>Manual &amp; automatic spectral analysis</h5>Mnova ElViS provides both manual and automatic peak picking, offering flexibility and convenience in your spectral analysis. It also features advanced tools for the analysis of stacked or arrayed spectra, ensuring thorough data evaluation and interpretation for all your spectral needs.&nbsp;<img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Mestrelab_Research_Mnova_EI_Vis_Manual_and_automatic_spectral_analysis_e24a19a151.webp" alt="Mestrelab Research: Mnova EIVis - Manual &amp; automatic spectral analysis" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Mestrelab_Research_Mnova_EI_Vis_Manual_and_automatic_spectral_analysis_e24a19a151.webp 240w," sizes="100vw" width="940" height="611"><h5>Main processing features</h5>Mnova ElViS comes with a range of useful processing features, including Multiplicative Scatter Correction, Probabilistic Quotient Normalization, Baseline correction (both automatic IarPLS and tailored Multipoint Baseline Correction), several smoothing techniques (such as Savitzky-Golay, Nonlocal Means, Exponential), normalization and Standard Normal Variate (SNV), derivatives, and units conversion between absorbance and transmittance. <img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Mestrelab_Research_Mnova_EI_Vis_Main_processing_features_bc6eb64b99.webp" alt="Mestrelab Research: Mnova EIVis - Main processing features" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Mestrelab_Research_Mnova_EI_Vis_Main_processing_features_bc6eb64b99.webp 245w," sizes="100vw" width="1074" height="581">

Mestrelab Mnova IUPAC Name software

Mnova IUPAC Name quickly generates IUPAC names for molecular structures within Mnova documents

<h4>Generate the IUPAC name for your molecular structures</h4>Mnova IUPAC Name quickly generates IUPAC names for molecular structures within Mnova documents, making it an essential tool for organic chemists. With just one click, you can name any molecular structure. The tool also supports full automation, allowing entire compound libraries to be named in minutes. For more details, explore the Mnova Gears IUPAC Name solution.<img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Mestrelab_Research_Mnova_IUPAC_8e9ddfe661.webp" alt="Mestrelab Research: Mnova IUPAC Name" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Mestrelab_Research_Mnova_IUPAC_8e9ddfe661.webp 228w," sizes="100vw" width="1244" height="853">What’s IUPAC Name?The International Union of Pure and Applied Chemistry (IUPAC) is the world authority on chemical nomenclature and terminology, including the naming of new elements in the periodic table; on standardized methods for measurement; and on atomic weights, and many other critically-evaluated data.IUPAC is the universally-recognized authority on chemical nomenclature and terminology and two IUPAC bodies take leading roles in this activity: Division VIII – Chemical Nomenclature and Structure Representation and the Inter-divisional Committee on Terminology, Nomenclature, and Symbols.<a target="_blank" rel="noopener noreferrer" href="https://iupac.org/">Read more about IUPAC here.</a><h4>Benefits:</h4><ul><li>One-click generation of IUPAC names within Mnova software.</li><li>Phane nomenclature for precise naming of complex molecular structures.</li><li>Generates Preferred IUPAC Names (PIN) for all classes of parent hydrides, including acyclic, monocyclic, polyalicyclic, spiro, fused, and bridged ring systems.</li><li>Works with a smaller library of functional groups and advanced algorithms for correct IUPAC combination.&nbsp;</li></ul>

Thermo Scientific Compound Discoverer software

Compound Discoverer software addresses small molecule identification needs and workflows including untargeted metabolomics, drug metabolism, impurity, E&L, environmental, food & beverage, and forensic research.

Thermo Scientific™ Chromeleon™ XPS Open Access Software

Thermo Scientific™ Chromeleon™ XPS provides streamlined and easy-to-use interface for Thermo Scientific™ Chromeleon™ CDS, while maintaining full capabilities of the CDS software.

In modern laboratories, chromatography techniques and the use of mass spectrometry (MS) detection are in high demand. Until recently, MS detectors were regarded as sophisticated detection tools that could be operated only by a highly trained specialist. Nowadays mass spectrometers are increasingly used as straightforward detectors for chromatography.Alongside this move into routine use of MS is the continued deskilling of staff in the laboratory world, causing highly experienced chromatographers to be in short supply. The result is a substantial number of regular scientists and process operators that need to generate chromatographic results using advanced instrumentation themselves.The solution is an Open Access tool enabling users to simply walk up and use a very straightforward interface to exploit the full power of the chromatography data system (CDS), without actually using the CDS software itself. Thermo Scientific™ Chromeleon™ XPS provides this streamlined and easy-to-use interface for <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/76">Thermo Scientific™ Chromeleon™ CDS</a>, while maintaining full capabilities of the CDS software, like instrument control, data processing, reporting and compliance tools.<h3>Workflow</h3>Users can walk up to any chromatography instrument connected to the CDS, with or without MS detection, and start to run their analysis with only a few mouse-clicks.<img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Thermo_Scientific_Chromeleon_XPS_Open_Access_Software_5e8f8c3dec.jpg" alt="Thermo Scientific™ Chromeleon™ XPS Open Access Software: First, select the analysis to perform (A) and which instrument should be used (B). The instrument overview shows the current instrument status’ and displays the estimated wait time until each instrument is available and the number of sample positions still available. The instrument list is filtered depending on the analysis selected and the users privileges to only show appropriate instruments." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Thermo_Scientific_Chromeleon_XPS_Open_Access_Software_5e8f8c3dec.jpg 196w," sizes="100vw" width="876" height="697"><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Thermo_Scientific_Chromeleon_XPS_Open_Access_Software_2_a8b64a52ae.jpg" alt="Thermo Scientific™ Chromeleon™ XPS Open Access Software: Next, enter the sample names (C) and any other parameters (D) required for the analysis." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Thermo_Scientific_Chromeleon_XPS_Open_Access_Software_2_a8b64a52ae.jpg 196w," sizes="100vw" width="876" height="697"><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Thermo_Scientific_Chromeleon_XPS_Open_Access_Software_3_4b4367ffae.jpg" alt="Thermo Scientific™ Chromeleon™ XPS Open Access Software: Place the sample vials in the indicated positions and select Submit." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Thermo_Scientific_Chromeleon_XPS_Open_Access_Software_3_4b4367ffae.jpg 196w," sizes="100vw" width="876" height="697"><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Thermo_Scientific_Chromeleon_XPS_Open_Access_Software_4_0386d31c9a.jpg" alt="Thermo Scientific™ Chromeleon™ XPS Open Access Software: The sequence is submitted and will run. The operator is shown the expected start and finish time of the analyses." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Thermo_Scientific_Chromeleon_XPS_Open_Access_Software_4_0386d31c9a.jpg 245w," sizes="100vw" width="625" height="263"><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Thermo_Scientific_Chromeleon_XPS_Open_Access_Software_5_1b51ab8dd2.jpg" alt="Thermo Scientific™ Chromeleon™ XPS Open Access Software: At the end of the run, the results are automatically printed and/or exported and a link to the exported report can be distributed via email." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Thermo_Scientific_Chromeleon_XPS_Open_Access_Software_5_1b51ab8dd2.jpg 245w," sizes="100vw" width="814" height="309"><h3>Configuration and management</h3>Running samples is as easy as described above once Chromeleon XPS software is set up, configured and managed by an experienced chromatographer.<ul><li>All the methods required for the analysis must be created; the instrument method with all instrument control and data acquisition parameters, the processing method with all data processing parameters and the report template with all required results, to be reported.&nbsp;</li><li>A Chromeleon eWorkflow is created using these methods. An eWorkflow is an electronic procedure that automates all steps of the laboratory process related to a chromatographic analysis</li></ul><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Thermo_Scientific_Chromeleon_XPS_Open_Access_Software_6_a3b2219e42.jpg" alt="Thermo Scientific™ Chromeleon™ XPS Open Access Software: The lab manager can customize Chromeleon XPS to show or hide individual toolbar buttons (A), which eWorkflows are visible to users (B) and which instruments they can access (C)." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Thermo_Scientific_Chromeleon_XPS_Open_Access_Software_6_a3b2219e42.jpg 196w," sizes="100vw" width="876" height="697"><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Thermo_Scientific_Chromeleon_XPS_Open_Access_Software_7_d647111f5d.jpg" alt="Thermo Scientific™ Chromeleon™ XPS Open Access Software: In addition, it is possible to define various system options, such as which email notifications to send." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Thermo_Scientific_Chromeleon_XPS_Open_Access_Software_7_d647111f5d.jpg 193w," sizes="100vw" width="659" height="533">Chromeleon XPS Open Access software lets any user run samples on their own by delivering a clean, streamlined walk-up interface that utilizes the full power of Chromeleon CDS. Users can access all instruments controlled by <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/76">Chromeleon CDS</a>, including MS, and automatically receive results or notifications about run completion or failure. The management console contains advanced customization options to fulfill any organization’s requirements, included fully regulated environments.Chromeleon XPS software provides error-free execution of any chromatography analysis with minimal training requirements for users.

Wiley Registry/NIST Mass Spectral Library 2023

Wiley Registry/NIST 2023 is the largest commercial MS library with 3+ million spectra (EI & MS/MS), ensuring reliable unknown compound identification across various applications.

<h4>Comprehensive Compound Coverage for Confident MS Results</h4>The Wiley Registry/NIST Mass Spectral Library 2023 offers unmatched compound coverage with over 3 million spectra (EI and MS/MS), making it the go-to resource for identifying unknowns in GC-MS and MS-MS workflows.Key benefits of the 2023 release:<ul><li>Broad compound range for targeted and non-targeted analysis</li><li>Expanded global patent coverage (USA, China, Japan, Europe)</li><li>Searchable metadata like structures, physical properties, and DOIs</li><li>Quality-checked data curated by experts</li><li>Segmented libraries for enhanced search performance</li><li>Comes with NIST 2023 Software (MS Search, AMDIS, MS Interpreter)</li><li>Now available via KnowItAll subscription for continuous updates</li></ul>New in 2023:<ul><li>74,000+ new compounds, 91,900+ new spectra</li><li>AI-RI values for EI data and major expansion of MS/MS entries</li><li>Spectra assigned a Quality Index for more precise filtering</li></ul>The Wiley Registry/NIST 2023 is compatible with most MS platforms. Learn more at <a target="_blank" rel="noopener noreferrer" href="https://sciencesolutions.wiley.com/compatibility">sciencesolutions.wiley.com/compatibility</a>.

Products from category Software and libraries focused on Software - page 3

Related content

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

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

Webinars LabRulezGCMS Week 29/2026