Discover how the iCAP PRO ICP-OES helps reduce method complexity, maintain stability with challenging matrices, and gain faster sample insight using AI-powered SemiQuantFor decades, ICP-OES has been a trusted workhorse for laboratories analyzing everything from clean water to complex brine, alloys, organics, and other challenging matrices. But today’s laboratories are being asked to do more: meet stricter regulatory and industry requirements, process more samples, reduce turnaround time, develop methods for complex samples, and improve workflow efficiency.<img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Thermo_Fisher_Scientific_How_to_Simplify_ICP_OES_Analysis_Method_Development_High_Matrix_Samples_and_Daily_Operation_f6b97f35e6.jpg" alt="Thermo Fisher Scientific: How to Simplify ICP-OES Analysis: Method Development, High Matrix Samples, and Daily Operation" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Thermo_Fisher_Scientific_How_to_Simplify_ICP_OES_Analysis_Method_Development_High_Matrix_Samples_and_Daily_Operation_f6b97f35e6.jpg 245w," sizes="100vw" width="1024" height="512">That is where next-generation ICP-OES technology can make a meaningful difference.The <a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/products?category=227&amp;manufacturerItems=3&amp;search=PRO">Thermo Scientific iCAP PRO Series ICP-OES</a> is designed to help laboratories improve productivity, robustness, sensitivity, and ease of use — while introducing intelligent, AI-powered tools that give analysts faster insight into their samples.In the on-demand webinar, “<a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/webinar/6198">Time to Go PRO: Discover the future of ICP-OES analysis</a>,” Thermo Fisher Scientific experts take ICP users inside the iCAP PRO ICP-OES platform for a practical virtual demonstration of the hardware, software, and differentiating technologies that support modern trace elemental analysis.<h3>Small footprint, big laboratory benefits</h3>Laboratory space is valuable, and ICP-OES instruments need to fit efficiently into busy workflows. The iCAP PRO ICP-OES features a compact vertical design that helps conserve bench space while keeping maintenance and service areas easy to access.Key benefits include:<ul><li>Space-saving vertical footprint that allows the instrument to sit flush against the wall.</li><li>Front and side access to routine maintenance points and service connections.</li><li>Simplified installation, service, and maintenance.</li><li>Streamlined sample introduction system with familiar, quick-connect components.</li><li>A smoother transition for laboratories currently using previous iCAP systems.</li></ul>For ICP analysts, the result is a system designed not only for performance but also for everyday usability.<img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Thermo_Fisher_Scientific_How_to_Simplify_ICP_OES_Analysis_Method_Development_High_Matrix_Samples_and_Daily_Operation_2_dd16d95db6.jpg" alt="Thermo Fisher Scientific: How to Simplify ICP-OES Analysis: Method Development, High Matrix Samples, and Daily Operation" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Thermo_Fisher_Scientific_How_to_Simplify_ICP_OES_Analysis_Method_Development_High_Matrix_Samples_and_Daily_Operation_2_dd16d95db6.jpg 245w," sizes="100vw" width="1000" height="553"><h3>Robust performance for high-matrix samples</h3>High-matrix samples and high-throughput workloads are common in industrial, environmental, materials, and contract testing laboratories. To keep up, an ICP-OES system must maintain plasma stability, reduce drift, and minimize downtime.The iCAP PRO ICP-OES is built with design features that support robust, reliable operation across demanding sample types.<h3>Optimized vertical torch designed for extended stability and uptime</h3>The iCAP PRO ICP-OES vertical torch design optimizes airflow within the torch box to support a stable, matrix-tolerant plasma. This helps reduce deposition on the torch and injector, which can support longer, more stable analytical runs.For ICP analysts, the benefits are clear:<ul><li>Reduced signal drift</li><li>Fewer sample failures and reruns</li><li>Less matrix buildup on key components</li><li>Reduced maintenance-related downtime</li><li>Long-term stability and reliability when analyzing challenging samples</li></ul>If cleaning is needed, the passivated aluminum torch box can be removed with just three screws, making maintenance more straightforward.<h3>Purged Optical Path for efficient UV transmission</h3>The iCAP PRO ICP-OES also uses a Purged Optical Path, or POP, interface to help maintain efficient light transmission from the plasma to the spectrometer. Low-flow argon purge gas exits through ceramic axial and radial POP nozzles, creating a protected optical path that helps reduce UV absorption by air and helps prevent plasma byproducts, dust, soot, and sample material from reaching the optical system.This is especially important for ICP-OES analysis because many critical emission lines are in the UV range.Key benefits include:<ul><li>Improved UV sensitivity.</li><li>Lower detection limits for important elements such as arsenic, selenium, and lead.</li><li>Reduced contamination of the optical interface.</li><li>No need for a separate shear gas supply or air compressor.</li><li>Simplified operation and lower running complexity.</li></ul><h3>Mirror protection for long-term optical performance</h3>The intense ultraviolet light produced by the plasma can gradually degrade optical mirrors over time. To help protect the optical system, the iCAP PRO ICP-OES uses an automated beam blocker that shields mirrors from unnecessary UV exposure when measurements are not being taken.This helps support:<ul><li>Long-term optical stability.</li><li>Reduced mirror wear.</li><li>Lower maintenance requirements.</li></ul><h3>High-efficiency optics and detection for confident results</h3>The iCAP PRO Series ICP-OES combines a compact, high-efficiency optical design with proprietary Charge Injection Device, or CID, detector technology to help maximize sensitivity, speed, and confidence in results.The optimized optical path helps transmit more light from the plasma to the detector, while the 5th generation CID821 detector captures high-quality spectral information across the wavelength range with more than 2 million pixels and smaller pixel size than in the previous iCAP platform.Together, these technologies support:<ul><li>Efficient light transmission</li><li>Improved sensitivity</li><li>Better spectral resolution</li><li>Faster analysis</li><li>More confident results in complex matrices</li></ul><h3>The CID detector advantage: more spectral detail, less compromise</h3>In real-world ICP-OES analysis, a single sample can contain trace-level analytes that produce weak signals and major matrix elements that produce very intense emission lines. The detector must manage both at the same time.That is where CID detector technology provides a significant advantage.The iCAP PRO ICP-OES CID821 smaller pixel size and high pixel density help improve physical separation between adjacent wavelengths, giving analysts more flexibility when choosing emission lines and background correction points. This also makes it easier to resolve trace analytes from nearby matrix lines, such as trace molybdenum in a tungsten matrix or trace lead in high-concentration copper.For the ICP-OES user, this means:<ul><li>Better peak separation</li><li>Easier background correction</li><li>Reduced spectral overlap</li><li>Less reliance on correction strategies and mathematical equations</li><li>Greater confidence in complex sample analysis.</li></ul><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Thermo_Fisher_Scientific_How_to_Simplify_ICP_OES_Analysis_Method_Development_High_Matrix_Samples_and_Daily_Operation_3_e3e0cb27d9.jpg" alt="Thermo Fisher Scientific: How to Simplify ICP-OES Analysis: Method Development, High Matrix Samples, and Daily Operation" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Thermo_Fisher_Scientific_How_to_Simplify_ICP_OES_Analysis_Method_Development_High_Matrix_Samples_and_Daily_Operation_3_e3e0cb27d9.jpg 245w," sizes="100vw" width="768" height="357"><h3>Why anti-blooming matters in ICP-OES</h3>Instruments have advanced significantly from classical Paschen-Runge, or Rowland Circle, spectrometers that used individual photomultiplier tubes, or PMTs, positioned at fixed wavelengths. While effective, these systems required larger optical layouts and offered less flexibility because each PMT was dedicated to a specific emission line. The transition to solid-state chip detectors, known as Charge Transfer Devices, or CTDs, helped make ICP-OES instruments more compact, flexible, and information-rich by enabling many wavelengths to be captured across a detector array. This shift supported faster multi-element analysis, easier wavelength selection, improved method development, and access to full-spectrum data from a smaller instrument platform. The two primary CTD technologies used in ICP-OES are the Charge-Coupled Device, or CCD, and the CID.In CTD detector-based ICP-OES, photons from emission lines are converted into electrical charge within individual pixels. When an intense emission line saturates a detector region, excess charge can spread into neighboring pixels, an effect known as blooming. In CCD detectors, where charge is shifted pixel by pixel across the chip during readout, blooming can distort nearby weaker signals and lead to overestimation of their intensity.The CID detector within the iCAP PRO ICP-OES works differently. In a CID, each pixel is an independent site with its own set of electrodes. The electrical charge generated by incoming light is collected and stored directly inside that specific pixel. If a pixel fills to capacity, the excess charge drains into the underlying silicon substrate rather than spilling into neighboring pixels. Pixels are addressed individually and read without shifting charge across the array, helping contain intense signals. In this way, CID detectors are inherently anti-blooming.For analysts, anti-blooming helps protect trace-level analyte peaks near strong matrix emission lines. This can reduce the need to choose less sensitive wavelengths, add extra dilutions, or rely on additional correction strategies that may increase method complexity.Additionally, because the charge doesn’t have to move across the chip to be read (unlike a CCD), a CID can perform Non-Destructive Readout (NDRO) where the CID detector can measure the charge in an individual pixel without emptying it. For ICP-OES analysis, this provides two important benefits.<ul><li>First, weak emission lines can be integrated for a longer time to collect more signal.</li><li>Second, bright emission lines can be monitored during the exposure and read before they approach saturation.</li></ul>In practical terms, NDRO helps the CID detector capture weak trace-level signals more effectively while managing intense matrix lines — improving signal-to-noise ratio resulting to better sensitivity, extending dynamic range, and leading to more confident trace-level results.The blooming effect experienced in CCD detectors can be minimized by setting integration times, segmenting the detector, or by adding anti-blooming or overflow drains. These approaches can help reduce the impact of very intense emission lines on weaker trace-level signals and reduce blooming, but they are mitigation strategies rather than the inherent pixel-level readout advantage of CID technology.<h3>Intelligent Full Range and enhanced UV modes</h3>The larger CID detector also enables Intelligent Full Range, or iFR, mode, which captures the full elemental spectrum in one simultaneous acquisition. This reduces analysis time by eliminating sequential low- and high-wavelength exposures.For applications requiring improved UV performance, enhanced UV, or eUV, mode provides added sensitivity for key elements with emission lines in the low UV range.<h3>Key takeaways from the optical and detector design</h3>The practical benefits of the iCAP PRO ICP-OES compact optical design combined with the unique and proprietary CID technology are clear:<ul><li>High sensitivity,</li><li>Faster analysis,</li><li>Reduced spectral interferences,</li><li>Better performance in high-matrix samples, and</li><li>Greater confidence in the analysis of complex sample matrices.</li></ul>The same rich, simultaneous spectral data captured by the CID detector also helps power advanced software capabilities such as the innovative AI-driven SemiQuant, giving analysts rapid insight into unknown samples without having to build a calibration curve.<h3>AI-powered SemiQuant: instant sample insight</h3>One of the most compelling parts of the on-demand webinar is the software demonstration, including a deep dive into the new AI-powered SemiQuant feature within the<a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/products/1489"> Thermo Scientific Qtegra Intelligent Scientific Data Solution (ISDS) software</a>.Traditional ICP-OES method development often starts with several questions: Which elements are present? What concentration ranges should be expected? Which wavelengths should be selected? What interferences might occur? Which samples need dilution?AI-powered SemiQuant helps answer those questions faster. Using the rich, simultaneous spectral information captured by the CID detector, SemiQuant evaluates many wavelengths for each element rather than relying on a single emission line. The AI model interprets these spectral patterns to provide rapid, semi-quantitative concentration estimates without requiring instrument calibration.<img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Thermo_Fisher_Scientific_How_to_Simplify_ICP_OES_Analysis_Method_Development_High_Matrix_Samples_and_Daily_Operation_4_56ce880ee0.jpg" alt="Thermo Fisher Scientific: How to Simplify ICP-OES Analysis: Method Development, High Matrix Samples, and Daily Operation" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Thermo_Fisher_Scientific_How_to_Simplify_ICP_OES_Analysis_Method_Development_High_Matrix_Samples_and_Daily_Operation_4_56ce880ee0.jpg 245w," sizes="100vw" width="768" height="409">For ICP users, this provides immediate insight into unknown samples.The SemiQuant feature can help analysts quickly assess:<ul><li>What elements are present.</li><li>Which elements are high or low in concentration.</li><li>What calibration ranges to build.</li><li>Which matrix components may cause spectral interferences.</li><li>Which samples may need dilution before quantitative analysis.</li><li>How to streamline method development and sample preparation.</li></ul>This makes AI-powered SemiQuant especially valuable for sample screening, unknown identification, method development, contamination investigations, and troubleshooting before committing to a full quantitative workflow<h3>Watch the on-demand iCAP PRO ICP-OES technical showcase</h3>The on-demand virtual technical showcase gives ICP users an insider’s look at the iCAP PRO ICP-OES from both the hardware and software perspective.In the hardware demonstration, you will see:<ul><li>The compact vertical instrument design</li><li>The vertical torch and torch box access</li><li>The simplified sample introduction system</li><li>Maintenance and user-friendly design features</li><li>How analysts interact with the instrument during routine operation</li></ul><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Thermo_Fisher_Scientific_How_to_Simplify_ICP_OES_Analysis_Method_Development_High_Matrix_Samples_and_Daily_Operation_5_4485b11821.jpg" alt="Thermo Fisher Scientific: How to Simplify ICP-OES Analysis: Method Development, High Matrix Samples, and Daily Operation" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Thermo_Fisher_Scientific_How_to_Simplify_ICP_OES_Analysis_Method_Development_High_Matrix_Samples_and_Daily_Operation_5_4485b11821.jpg 245w," sizes="100vw" width="768" height="480">In the Qtegra ISDS software demonstration, you will see:<ul><li>How to develop a method</li><li>Wavelength selection</li><li>Acquisition settings</li><li>Interference correction tools</li><li>Sample list setup</li><li>AI-powered SemiQuant analysis</li><li>A deep dive into how SemiQuant provides fast insight into unknown samples</li></ul>Whether you are running environmental samples, industrial materials, or high-salt brines, the iCAP PRO Series ICP-OES is designed to help your laboratory move from sample to reliable result with greater speed, confidence, and ease.Register now to watch the on-demand virtual technical showcase, “<a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/webinar/6198">Time to Go PRO: Discover the future of ICP-OES analysis</a>,” and get firsthand insight from our application experts into the innovations that make the iCAP PRO ICP-OES our most powerful, user-friendly instrument yet. To learn more, visit the <a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/products?category=227&amp;manufacturerItems=3&amp;search=PRO">iCAP PRO Series ICP-OES</a> instruments.<blockquote>Visit us on&nbsp;<a target="_blank" rel="noopener noreferrer" href="https://www.linkedin.com/showcase/72003132/admin/dashboard/">LinkedIn:</a>&nbsp;#ICP-OES #ElementalAnalysis #MetalsAnalysis #AtomicSpectroscopy</blockquote>

How to Simplify ICP-OES Analysis: Method Development, High Matrix Samples, and Daily Operation

In this leaflet we discuss whether or not you should correct for an observed significant bias and the impact this may have on the measurement uncertainty (MU). How to apply the correction and how to increase the uncertainty to take account of an uncorrected bias is outside the scope of this leaflet.&nbsp;Important issues for deciding on how to treat an observed significant bias are:&nbsp;<ul><li>whether we understand the cause of the bias, and&nbsp;</li><li>whether its size can be reliably determined.&nbsp;</li></ul>Further we must decide:&nbsp;<ul><li>whether the bias is consistent for all test samples within the scope of the method and&nbsp;</li><li>whether any correction for bias should be multiplicative or additive, depending on whether the magnitude of the bias is constant or changes with the concentration level.</li></ul><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Eurachem_Treatment_of_an_observed_bias_2_d221a32b8b.jpg" alt="Eurachem: Treatment of an observed bias" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Eurachem_Treatment_of_an_observed_bias_2_d221a32b8b.jpg 245w," sizes="100vw" width="1528" height="448"><h4>Should we correct, and should we increase the measurement uncertainty?&nbsp;</h4>The ISO Guide to the expression of uncertainty in measurement, GUM [1], assumes that “the result of a measurement has been corrected for all recognised significant systematic effects” (GUM 3.2.4). This implies that when developing a measurement method all known sources of bias should be investigated and if possible, eliminated or their effect minimised. If this cannot be achieved, then, if appropriate, a correction should be applied and the measurement uncertainty revised.&nbsp;Let’s assume we have available a standardised method or a fully developed in-house method, with a clear description of the measurand, where any known bias has been minimised during method development (e.g. the effect of interferences has been minimised or a correction is included in the method). The next step, as a part of the validation, is to reliably determine any additional bias for the concentration interval and different matrices specified within the scope of the method. On the next page we present a roadmap outlining how to handle any additional significant bias.&nbsp;Note that the observed bias in a laboratory could be due to laboratory as well as method bias. For empirical methods where the measurand is operationally defined by the method, the method bias is by definition zero, however, the laboratory bias still needs to be considered.<img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Eurachem_Treatment_of_an_observed_bias_3_5d99940abd.jpg" alt="Eurachem: Treatment of an observed bias" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Eurachem_Treatment_of_an_observed_bias_3_5d99940abd.jpg 62w," sizes="100vw" width="426" height="1060"><ol><li>There is no point in trying to eliminate or correct a small bias, since both elimination and correction need resources.&nbsp;</li><li>If bias is not negligible then the best approach, if possible, is to try to eliminate it by modifying the method.&nbsp;</li><li>If bias is not negligible, but eliminating it is either impossible or impractical, then we can consider correcting for bias. There are three possibilities:&nbsp;<ul><li>Correction may be required (e. g. by regulations).&nbsp;</li><li>Correction may be forbidden, in which case no correction should be made.&nbsp;</li><li>Correction may be allowed. Then we should look at two more criteria to determine whether correction is justified.&nbsp;</li></ul></li><li>If bias can be reliably determined and a correction method can be applied that is relevant for all test samples within the scope of the method we may decide to correct for bias. However, if the cause of bias is not known then correcting for bias cannot be generally recommended. If bias cannot be reliably determined then we should not correct for it. If we correct the result on the basis of an unreliable bias estimate then we may even increase the uncertainty of the results.&nbsp;</li><li>Correcting for bias is meaningful only if a useful reduction of measurement uncertainty (MU) is achieved. Correcting for the bias is only meaningful if the MU of the correction is smaller than the component of the MU arising from not applying the correction.&nbsp;</li></ol>If a significant bias is not corrected, it is difficult to give clear guidance on what action to take. For the case of recovery correction, IUPAC [2] lists some possibilities if no correction is applied:&nbsp;<ol><li>No action;&nbsp;</li><li>Report recovery separately, including the uncertainty of both the result and the recovery&nbsp;</li><li>Take the bias into account in the uncertainty estimate of the results</li></ol>These principles can be applied to other forms of bias. Further options have also been reviewed in the literature: See, for example, reference [3]

Treatment of an observed bias

Our Library never stops expanding. What are the most recent contributions to LabRulezICPMS Library in the week of 3rd August 2026? Check out new documents from the field of spectroscopy/spectrometry and related techniques!<blockquote>👉 <a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/library">SEARCH THE LARGEST REPOSITORY OF DOCUMENTS ABOUT SPECTROSCOPY/SPECTROMETRY RELATED TECHNIQUES</a></blockquote><blockquote>👉 Need info about different analytical techniques? Peek into <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library">LabRulezLCMS</a> or <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library">LabRulezGCMS</a> libraries.</blockquote>This week we bring you application notes by Agilent Technologies and Shimadzu and other document by Thermo Fisher Scientific!<h3>1. Agilent Technologies: Determination of Toxic Elements in Durian and Jackfruit Using an Agilent Automated ICP-MS System According to China GB 5009.268</h3><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/labrulez-bucket-strapi-h3hsga3/an_icpms_durian_5994_9351en_agilent_fcafe537c7.pdf">Full PDF for download</a>&nbsp;</li></ul>Fruit is an essential part of daily human nutrition, providing vital vitamins, minerals, and dietary fiber.3 The Chinese market, with over 1.4 billion people, has become one of the largest fruit markets in the world. It is expected that China's total fruit consumption will reach about 312 million tons by 2025.4 Additionally, fruit imports are projected to exceed 9 million tons annually, underscoring the country's strong domestic demand and reliance on imported supplies.&nbsp;Within this context, China has become a major export destination for Asian countries, including Vietnam, Thailand, Laos, Cambodia, Philippines, Indonesia, and others. Thanks to favorable climate conditions and a wide variety of tropical fruit cultivars, these countries have strategically increased their fruit exports to satisfy Chinese market demand. Specifically, products such as durian and jackfruit have gained significant popularity, playing an increasingly vital role in regional agricultural trade.&nbsp;However, the biggest challenge for those countries when entering the Chinese market is strict food safety regulations, especially limits on trace elements and heavy metals such as lead (Pb), cadmium (Cd), mercury (Hg), and arsenic (As). The General Administration of Customs of the People's Republic of China (GACC) sets very low Maximum Residue Limits (MRLs, Table 1). Additionally, the large, continuous volume of fruit exports makes time a critical factor, as any delay can affect product quality and reduce its economic value. This situation places significant pressure on testing laboratories, requiring the development of stable, rapid, and accurate methods to ensure continuous and reliable operations.&nbsp;To address these challenges, the Agilent ICP Workflow Automation System offers a practical solution. The ICP‑MS 7900 provides high-throughput, highly sensitive, and precise measurements of trace elements and heavy metals, including Pb, Cd, Hg, and As. The combination of ADS2 and AVS helps reduce sample turnaround time and cost per analysis. The Advanced Dilution System (ADS2) automatically performs important tasks such as preparing a multipoint calibration from a single stock standard up to 400 times, diluting samples above the calibration range, or, if there is an internal standard recovery issue, eliminating the need for manual dilution. The Advanced Valve System (AVS) automatically rinses the sample introduction system while the next sample is being analyzed, virtually eliminating the delays typical of conventional analysis. Using controlled argon bubble injection between the sample and rinse solution prevents mixing, reducing uptake and rinse times. This study describes the use of the <a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/library?mainauthorItems=10&amp;search=7900">Agilent 7900 ICP-MS</a>, <a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/library?mainauthorItems=10&amp;search=SPS+4">Agilent SPS 4 autosampler</a>, AVS, and ADS2 auto-dilution for the analysis of four toxic elements in durian and jackfruit samples using the China GB 5009.268 method.1<h4>Results and discussion&nbsp;</h4><h5>Automatic calibration standards and Instrument stability&nbsp;</h5>A 7-point calibration curve automatically prepared using the ADS 2 demonstrated excellent linearity over the concentration range of 0.05–10 µg/L. Using a 1/x weighted regression without forcing the calibration through the origin, all analytes achieved coefficients of determination (R²) ≥ 0.995 (Figure 3), with back-calculated concentrations within 90–110% of their theoretical values, confirming the suitability of the calibration range for routine quantification. The integrated automation workflow significantly improved laboratory productivity by completing calibration preparation and analysis in approximately 1.5 minutes per sample. By minimizing manual operations and operator intervention, the ADS 2 reduced the risk of contamination and human error while enabling higher sample throughput for routine food safety testing.&nbsp;To evaluate instrument stability during continuous operation, the variation in internal standard recoveries was monitored throughout an analytical sequence of more than 70&nbsp;consecutive samples. The recoveries of the three internal standards across different measurement modes remained consistently within the ±20% acceptance limit throughout the analytical sequence (Figure 4). Blank samples interspersed between concentration intervals showed no evidence of carryover, demonstrating effective system cleanliness and analytical robustness. These results confirm the excellent long-term stability and robust matrix tolerance of the Agilent 7900 ICP-MS, providing reliable performance for high-throughput routine food safety testing.<h4>Conclusion&nbsp;</h4>The Agilent 7900 ICP-MS, integrated with the SPS 4 autosampler, ADS 2, and AVS, delivers a fully automated, high-throughput workflow for routine trace-level multi-element analysis. By eliminating manual standard preparation and minimizing operator intervention, the solution reduces labor costs, improves data consistency, and empowers laboratories to maximize productivity and analytical capacity to meet increasing testing demands.&nbsp;Excellent sensitivity, long-term stability, and robust interference removal, together with satisfactory recoveries, repeatability, and reproducibility for As, Cd, Pb, and Hg at an LOQ of 5 µg/kg, demonstrate reliable analytical performance. Compliance with Chinese regulatory requirements further position the Agilent automation solution as a cost-effective platform for high-volume food safety testing and export quality assurance, enabling laboratories to confidently support the growing demand for exports to the Chinese&nbsp;market.<h3>2. Shimadzu: TOC Evaluation of Surfactants</h3><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/labrulez-bucket-strapi-h3hsga3/an_01_01160_en_539fba0ba2.pdf">Full PDF for download</a></li></ul><h5>User benefits</h5><ul><li>TOC can be evaluated accurately using the TC-IC method, even for foaming surfactants.&nbsp;</li><li>The ASI-L autosampler enables automatic, continuous measurement of multiple samples, improving analytical efficiency.</li></ul>Surfactants are important chemicals widely used in detergents and dispersants for pharmaceutical equipment cleaning processes, chemical manufacturing processes, and environmental water management. If surfactant residues remain after such processes, they can not only affect manufacturing processes and final product quality, but also increase the organic load in wastewater and environmental water. Therefore, quality control is also needed for organic matter derived from surfactants.&nbsp;Total organic carbon (TOC) analysis is effective for evaluating the quality of surfactants. In general, the NPOC (non-purgeable organic carbon) method is often selected for TOC measurement in terms of sample volume and analysis time requirements. On the other hand, because surfactants have both hydrophilic and hydrophobic groups in their structure, they tend to foam even at low concentrations. When such samples are measured by the NPOC method, which involves acid addition and sparging, foaming can cause the sample to overflow from the syringe vessel inside the instrument into the waste line. That can result in measurement valuesthat are lower than the true value.&nbsp;This article compares TOC measurement results for surfactants obtained by the NPOC method and the TC-IC method using the <a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/library?mainauthorItems=1&amp;search=TOC-L">Shimadzu TOC-L total organic carbon analyzer</a>, which uses the combustion oxidation method.<h4>Conclusion&nbsp;</h4>Table 5 summarizes the results obtained by measuring sodium dodecylbenzenesulfonate solutions, used here as representative surfactant samples, by the NPOC method and the TC-IC method. With the NPOC method, the TOC recovery rates were below 50 % for all samples, whereas the TC-IC method produced satisfactory TOC recovery rates close to 100 % for all samples.Sodium dodecylbenzenesulfonate solutions (carbon concentration: 0.5 mg/L) is also used in Japanese Pharmacopoeia (JP) recovery tests. For surfactants that readily foam, such as in this example, NPOC measurements involving acid addition and sparging may affect measurement accuracy due to sample loss. For such samples, accurate TOC values can be obtained by using the TC-IC method. In addition, by using the ASI-L autosampler, multiple samples can be measured automatically and continuously.<h3>3. Thermo Fisher Scientific: How rhodium plating can affect gold XRF results</h3><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/products?category=315&amp;manufacturerItems=3&amp;search=niton">Thermo Scientific™ Niton™ XRF Analyzers</a> can help precious metals professionals detect rhodium (Rh) plating and interpret gold (Au) results with confidence.<ul><li>Other document (smart note)</li><li><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/labrulez-bucket-strapi-h3hsga3/rhodium_plating_can_affect_gold_xrf_results_sn1862_en_331edc099a.pdf">Full PDF for download</a></li></ul><h4>Benefits of XRF in jewelry analysis&nbsp;</h4>Niton XRF analyzers provide capabilities that can enhance a jeweler’s operations in several ways:&nbsp;<ul><li>Identify Rh-plated gold items during routine testing&nbsp;</li><li>Reduce confusion around unexpected Au readings&nbsp;</li><li>Support more confident buying, selling, refining, and verification decisions&nbsp;</li><li>Help explain results to customers, suppliers, and trading partners&nbsp;</li></ul><h4>Reduce risk in precious metals trading&nbsp;</h4>In precious metals trading, small differences in reported gold concentration can affect pricing, settlement, customer trust, and supplier relationships. Recognizing Rh plating helps users avoid unnecessary disputes, retesting, or destructive testing when the surface finish is influencing the measurement.&nbsp;<h4>Best practices&nbsp;</h4>One should always check the result for Rh when Au appears lower than expected.&nbsp;<ul><li>Test multiple locations, especially where plating may vary&nbsp;</li><li>Look for worn or unplated areas when appropriate&nbsp;</li><li>Interpret Au results in the context of surface finish and item history&nbsp;</li><li>If appropriate, remove the rhodium plating prior to XRF analysis to evaluate the underlying alloy&nbsp;</li></ul><h4>The bottom line&nbsp;</h4>Rhodium plating can make a properly karated gold item appear to return a lower Au result when it is evaluated by XRF. <a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/products?category=315&amp;manufacturerItems=3&amp;search=niton">Niton XRF analyzers</a> can detect Rh at the surface, helping precious metals professionals recognize plating, interpret results correctly, and make more confident decisions.

News from LabRulezICPMS Library - Week 32, 2026

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A unique company dedicated to serving science helping our customers drive productivity and accelerate results. Through our premier brands – Thermo Scientific, Applied Biosystems, Invitrogen, Fisher Scientific and Unity Lab Services.

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Eurachem is a European network promoting international traceability of chemical measurements and good analytical practice. It provides expert guidance, supports method validation, uncertainty evaluation, proficiency testing, and facilitates discussion on technical and policy issues in analytical quality.

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Thermo Scientific Qtegra Intelligent Scientific Data Solution Software

The Thermo Scientific™ Qtegra™ Intelligent Scientific Data Solution (ISDS) Software is a software platform built on four pillars.

The Thermo Scientific™ Qtegra™ Intelligent Scientific Data Solution (ISDS) Software is a software platform built on four pillars, designed to deliver a complete solution for laboratories depending on productivity, scalability, and quality results to achieve their goals.<h5>Intelligent</h5>Built-in intelligence facilitates the full workflow from sample to results. Laboratories can be more reactive and profitable, with software that facilitates data driven decisions more efficiently.<h5>Scientific</h5>Developed with scientific integrity, Qtegra ISDS Software delivers high quality, reliable data that labs can trust. Data transparency lets laboratory personnel focus on other tasks while ensuring the utmost confidence in scientific collaboration.<h5>Data</h5>Data is the key to success for all laboratories. Qtegra ISDS Software can help labs excel at efficiently delivering consistent and relevant results with extensive tools to effectively acquire and manage data.<h5>Solution</h5>Laboratories can enjoy the familiarity of common software across multiple analytical systems while differentiating their offering through customizable and application specific workflows.<img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Thermo_Fisher_Scientific_Thermo_Scientific_Qtegra_Intelligent_Scientific_Data_Solution_Software_2_78dbb0f7f5.jpg" alt="Thermo Fisher Scientific: Thermo Scientific Qtegra Intelligent Scientific Data Solution Software" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Thermo_Fisher_Scientific_Thermo_Scientific_Qtegra_Intelligent_Scientific_Data_Solution_Software_2_78dbb0f7f5.jpg 217w," sizes="100vw" width="1535" height="1101"><h4>Routine analysis</h4>High-throughput production and contract testing laboratories benefit from the assistance and economy imparted through Qtegra ISDS Software. The design facilitates integration in a growing lab ecosystem, while intuitive workflow features, interference management and pertinent data visualization lets laboratories acquire and interpret data confidently, quickly, and with ease. Laboratories performing routine testing can ensure profitability through productivity, quality data, and right first-time analysis.<h4>Scientific research</h4>Researchers looking to push the boundaries of innovation in their field can focus intently on science, confident in the knowledge that Qtegra ISDS Software provides flexibility of customized configurations with multiple acquisition modes and data processing tools to probe and access new data. Within a framework that is exceptionally easy to set up and switch between configurations, Qtegra ISDS Software enables research labs with multiple users to focus on the data rather than the analysis.<h4>Regulated industries</h4>Food, environmental and pharmaceutical QA/QC are amongst the sectors that are constantly being challenged to meet rising standards of quality and to comply with rigorous regulatory requirements, whether they be analytical or procedural. Qtegra ISDS Software recognizes these challenges and includes the necessary tools for laboratories to rapidly meet their compliance goals.<h4>Integrated lab assistant saves time, simplifies sample preparation, and intelligently assists data analysis.</h4><ul><li>Lab is quickly alerted to QC anomalies and samples above Maximum Allowable Concentrations.</li><li>Integrated, flexible QA/QC protocols minimize failures and prevent costly re-runs.</li><li>Intuitive color-coding of data and reports aids faster interpretation and decision making.</li><li>Calculations are transparently applied in real time and can be audited easily.</li><li>Prescriptive sample dilutions save labor and mitigate errors.</li><li>Intelligent uptake and rinses optimize throughput and limit carryover challenges.</li><li>Intelligent over-range autodilution of high concentration samples automatically generates usable data without user input or delays</li></ul><h4>It’s not just about finding answers, it’s about finding the right answers</h4>Qtegra ISDS Software helps labs achieve consistently accurate results through Interference Management. Many analytical techniques are prone to interferences that are difficult to remove. Qtegra ISDS Software can help identify and automatically mitigate interferences with full visibility.The Reaction Finder method development assistant for Thermo Scientific™ TQ-ICP-MS analyzers intelligently selects the optimal measurement mode settings based on method analytes, removing the complexity from TQ technology and dramatically decreasing method development time.Interelement correction (IEC) for the Thermo Scientific™ iCAP™ PRO Series ICP-OES provides the ability to correct for interferences based on intensity or concentration and conform with regulatory methods, such as EPA Method 200.7.<h4>Gain deeper insights and accelerate innovation with the flexibility of different data evaluation modes and specific workflows.</h4><h4>IRMS Chromatogram</h4>Enjoy simple and reliable compound-specific IRMS or trace elemental speciation with a fully integrated workflow including chromatographic device control and dedicated chromatographic data processing.<img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Thermo_Fisher_Scientific_Thermo_Scientific_Qtegra_Intelligent_Scientific_Data_Solution_Software_IRMS_Chromatogram_7b0a3b5376.jpg" alt="Thermo Fisher Scientific: Thermo Scientific Qtegra Intelligent Scientific Data Solution Software - IRMS Chromatogram" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Thermo_Fisher_Scientific_Thermo_Scientific_Qtegra_Intelligent_Scientific_Data_Solution_Software_IRMS_Chromatogram_7b0a3b5376.jpg 245w," sizes="100vw" width="615" height="331"><h4>Laser ablation</h4>Expand capabilities in spatial and depth characterization with solutions to integrate laser ablation systems and split-flow analysis with third-party plug-ins and laser ablation specific data evaluation.<img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Thermo_Fisher_Scientific_Thermo_Scientific_Qtegra_Intelligent_Scientific_Data_Solution_Software_Laser_ablation_63e97c2a0a.jpg" alt="Thermo Fisher Scientific: Thermo Scientific Qtegra Intelligent Scientific Data Solution Software - Laser ablation" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Thermo_Fisher_Scientific_Thermo_Scientific_Qtegra_Intelligent_Scientific_Data_Solution_Software_Laser_ablation_63e97c2a0a.jpg 245w," sizes="100vw" width="613" height="338"><h4>Single particle</h4>Explore the expanding fields of single cell and nanoparticle analysis with automated workflows and dedicated sample handling packages.<img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Thermo_Fisher_Scientific_Thermo_Scientific_Qtegra_Intelligent_Scientific_Data_Solution_Software_Single_particle_72be4bfa52.jpg" alt="Thermo Fisher Scientific: Thermo Scientific Qtegra Intelligent Scientific Data Solution Software - Single particle" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Thermo_Fisher_Scientific_Thermo_Scientific_Qtegra_Intelligent_Scientific_Data_Solution_Software_Single_particle_72be4bfa52.jpg 245w," sizes="100vw" width="615" height="329"><h4>How do you manage large volumes of data in your laboratory?</h4>Leverage data management and flexible and intuitive data processing tools within Qtegra ISDS Software to excel at delivering consistent data on time.<h5>Data security</h5>Be confident with the knowledge that all data is secure and encrypted, yet easily accessible. The Qtegra ISDS Software LabBook concept ensures the whole analytical workflow from samples to results is stored in one secure container.<h5>LIMS integration</h5>Complete analysis descriptions can be directly imported into Qtegra ISDS Software, eliminating additional user input. Full results, both analytical and metadata, are immediately available after analysis for rapid turnaround of results.<h5>Data visualization</h5>Access relevant data quickly, with flexibility to dig deeper when needed, enabling quicker decisions and efficiency.<h5>Enhanced LabBook query</h5>Combine data across LabBooks for method validation, long-term performance, or finding relationships and gaining deeper insights into data.<h5>Flexible data export</h5>Export data in the format you need for archiving, reporting, or further data processing and interrogation.<h5>Comprehensive data reporting</h5>Automated report generation makes data management effortless. Customize report formats to fit with the needs of your customers.<h5>Data management</h5>Store and manage data effortlessly with an intuitive file browser.<h5>User management</h5>Control access for up to 5 user levels with comprehensive user management.

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 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>

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>Advanced Chemometrics for Enhanced Data Analysis</h4>Leverage sophisticated multivariate analysis tools such as PCA, PLS, and SIMCA 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.<h4>Benefits:</h4><ul><li>All-in-One Solution: 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>Incorporates Recognized Methods: Includes PCA, PLS, and SIMCA for advanced data analysis and unsupervised chemometrics.</li><li>Powerful and Intuitive Interface: Provides a user-friendly design for a streamlined analysis experience.</li><li>Improved Classification and Prediction: Classifies samples with SIMCA and builds predictive models using PLS.</li><li>Noise and Outlier Reduction: Effectively reduces noise and detects outliers, ensuring accurate and reliable results.</li><li>Expandable Plugin: Features Higher Order Structure (HOS) capabilities, powered by Mnova BioHOS.&nbsp;</li></ul><h4>Features:</h4><h5>New MCR Tool for Peak Purity Assessment in LCMS Data</h5>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.<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"><h5>Enhanced Data Analysis with Partial Least Squares (PLS) Regression</h5>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.<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"><h5>Advanced Data Classification with SIMCA Modeling</h5>Offers a powerful statistical method for supervised classification of data, allowing researchers to categorize and analyze complex datasets with precision.<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"><h5>Advanced PCA Analysis for In-Depth Data Insights</h5>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.<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">

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>Automatic confirmation of structure identity based on NMR and/or LC/GC-MS data</h4>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>Benefits:</h4><ul><li>Solution coupling NMR (1H, 13C and HSQC) and MS techniques in a commercial off-the-shelf software.</li><li>Helps non-expert users to take decisions while reducing the workload of the experts.</li><li>Fully automatic analysis for singletons or batch data.</li><li>Mnova Verify checks whether the proposed compound is correct!</li><li>Flexibly accepts a variety of inputs and generate automatically fully customized reports.</li><li>Straightforward results check that warns about inconsistencies.</li></ul><h4>Features:</h4><h5>Powerful algorithm running behind the scenes</h5>This powerful algorithm integrates multiple modules to deliver:<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><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"><h5>An easy and flexible scoring system</h5>Evaluates analytical data to judge the compatibility of proposed structures:<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><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"><h5>Automated batch &amp; real-time operations</h5>Provides QA for large data volumes like libraries or registration QC samples:<ul><li>Batch Mode: Verifies libraries and identifies unsuitable samples for assay submission, generating an HTML report.</li><li>Real-Time Analysis Mode: 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><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">

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>Store, share and search your chemical and analytical data efficiently</h4>A professional database integrated within Mnova for efficiently shared storage of molecular structures, NMR, LC-MS, GC-MS, and other Mnova objects.Create new databases, save records with a couple of clicks, and run searches by structure, substructure, specific peak positions, multiplets, or mass peaks.<h4>Benefits:</h4><ul><li>Database enviroment for storing analytical data (NMR, LC/GC-MS, UV-Vis, IR, etc.) and chemical structures.</li><li>Ranked queries by chemical struture and/or analytical data, enabling faster and more efficient data retrieval.</li><li>Tools for managing and controlling your databases, with password protection for security.</li><li>Quickly create new databases and save your analytical records in seconds, enhancing efficiency and productivity.</li><li>Access and view reports in a variety of formats, including tables, records, well plates, and HTML views, for versatile data presentation.</li><li>Manage user accounts with different privilege levels-administrator, power user, and standard user.</li></ul><h4>Features:</h4><h5>Create a database and save your legacy data</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><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"><h5>Save your data during the workflow</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><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"><h5>Efficient sharing and searching of your analytical data</h5>The basic search query can be the following:<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><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"><h5>Seamlessly deliver data to your organization</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><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">

Products focused on Software - page 2

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