<h3>Lunch &amp; learn tips &amp; tricks series 2026 – part 1</h3>In modern analytical laboratories, efficiency, consistency, and data confidence are essential. Whether you are operating an ICP-OES or ICP-MS system, the way you use your software can significantly influence productivity and analytical performance. In the first session of our Lunch &amp; Learn Tips &amp; Tricks Series, we focused on one of the most common themes raised by users: how to navigate <a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/products/1489">Qtegra </a>software more effectively and optimize everyday workflows.<img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Thermo_Fisher_Scientific_Mastering_Qtegra_Software_Practical_Strategies_to_Improve_Your_Daily_Lab_Workflow_3d35454782.jpg" alt="Thermo Fisher Scientific: Mastering Qtegra Software: Practical Strategies to Improve Your Daily Lab Workflow" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Thermo_Fisher_Scientific_Mastering_Qtegra_Software_Practical_Strategies_to_Improve_Your_Daily_Lab_Workflow_3d35454782.jpg 245w," sizes="100vw" width="1024" height="512">This session explored three key areas in detail: understanding the structure of Qtegra and the Configurator, using the Dashboard as your operational control center, and building smarter, more efficient LabBooks. Below is a structured recap of the key insights shared during Part 1.<h3>Understanding the structure of Qtegra</h3>One of the most valuable features of Qtegra software is its consistency across multiple instrument platforms. Whether you are working with the <a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/products?category=227&amp;instrumentationItems=84&amp;manufacturerItems=3&amp;search=icap+pro">iCAP PRO ICP-OES</a>, the <a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/products?category=232&amp;instrumentationItems=83&amp;manufacturerItems=3">iCAP MX ICP-MS</a>, the iCAP 7000 OES, or Qnova ICP-MS systems, the interface and workflow logic remain familiar. This consistency reduces the learning curve when transitioning between instruments and supports standardised training across laboratories.Qtegra consists of two primary components: the Qtegra application itself and the Configurator.<ul><li>The Qtegra application is where you directly interact with your instrument. It is used to create LabBooks, control the instrument, execute analyses, and review results.</li><li>The Configurator, in contrast, defines how your system behaves at a deeper level. It controls system-level settings that underpin daily operation. Within the Configurator, users can manage features such as Fast Uptake setup, drain sensor configuration, wavelength libraries for ICP-OES systems, the Reaction Database for ICP-MS systems, and user access permissions.</li></ul>Understanding the distinction between these two components helps users troubleshoot more effectively and ensures that system configuration aligns with laboratory requirements.<h3>Using the dashboard as your central hub</h3>When Qtegra is opened, the first screen presented is the Dashboard. The Dashboard functions as the central hub for instrument monitoring and control. From this location, users can view instrument status, monitor live operating parameters, access tuning tools, review performance checks, and identify error or interlock notifications.<ul><li>For ICP-OES users, the Dashboard provides access to tune sets, source settings, AutoPeak alignment, autotuning functions, and live views such as Plasma TV. These tools allow users to confirm that the plasma and optical system are performing as expected before analysis begins.</li><li>For ICP-MS users, the Instrument tab within the Dashboard provides access to autotune routines, performance report summaries, gas flow settings, nebuliser adjustments, operating mode selection such as Standard, KED, or CCT modes, IntelliLens control, and real-time data streams.</li></ul>The Dashboard should be used as a structured checkpoint before running any analysis. Confirming that all parameters are within acceptable ranges reduces the likelihood of interruptions and supports consistent performance throughout the run.<h3>The get ready workflow: structured instrument preparation</h3><ul><li>The Get Ready function, which is launched directly from the Dashboard, provides a guided preparation workflow. This feature is designed to ensure that the instrument is fully configured and operating correctly for the selected method before analysis begins.</li><li>Within Get Ready, users can access scheduling tools that automate warmups, standby routines, shutdowns, and maintenance checks. These tools are particularly beneficial for laboratories operating multiple shifts or managing variable workloads.</li></ul>For ICP-MS systems, the Get Ready workflow includes automated performance checks, autotune routines, and controlled warm-up conditions. These routines verify that the instrument is operating within its expected performance range.By following the structured steps within Get Ready, laboratories can reduce the risk of missed preparation tasks and maintain day-to-day analytical consistency.<h3>Building smarter LabBooks</h3>The LabBook forms the foundation of every analytical sequence in Qtegra. A carefully constructed LabBook improves efficiency, reduces setup errors, and simplifies data review.Users can create a LabBook from scratch or begin with a template. Templates are particularly useful for laboratories that integrate with LIMS systems or import sample lists via CSV files, as they promote standardisation and consistency.<h4>Defining analytes</h4><ul><li>For ICP-OES methods, users must select appropriate wavelengths and evaluate potential spectral interferences.&nbsp;</li><li>For ICP-MS methods, users select the required masses, consider isobaric and polyatomic interferences, and use the Reaction Database to support reaction mode selection.</li></ul>Careful analyte selection at this stage helps prevent complications later in the analytical workflow.<h4>Configuring acquisition parameters</h4>Acquisition parameters define how the instrument collects data.<ul><li>For ICP-OES systems, this includes selecting viewing modes, choosing wavelength ranges such as iFR or eUV, and defining integration times.</li><li>For ICP-MS systems, this includes selecting operating modes such as Standard, KED, or CCT, configuring Reaction Finder options, enabling Intelligent Matrix Handling, and defining digital trigger settings.</li></ul>Thoughtful parameter configuration ensures that data quality objectives are met without unnecessary reanalysis.<h4>Using intelligent uptake and rinse</h4>The Intelligent Uptake and Rinse feature detects when the sample or rinse solution reaches the nebuliser. This ensures consistent timing across samples and improves overall throughput. In high-throughput environments, this feature contributes to both efficiency and reproducibility.<h4>Calibration and quantification strategy</h4>Calibration design is central to reliable quantification. Qtegra allows users to manage global standards, configure dilution tools, select calibration fit types, assign internal standards, and establish quality control samples.For ICP-OES systems, users can define standard ranges and switch points. For SemiQuant workflows, Relative Sensitivity Factors can be applied.Establishing these parameters during LabBook creation ensures that data validation is straightforward once analysis is complete.<h4>Autosampler and sample list setup</h4>For laboratories using the <a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/products/1715">iSC-65 autosampler</a>, features such as StepAhead, custom rack definitions, colour-coded sample views, and visual integrity checks support efficient sequence management.When constructing the sample list, users should clearly define sample types, establish a logical sequence order, and configure column layouts appropriately. Setting flags and limits during initial setup simplifies the data review process and supports quality assurance.<h3>Why workflow optimisation matters</h3>Optimising Qtegra usage does not require learning new software features. Instead, it involves using existing tools more strategically. By treating the Dashboard as a pre-run checkpoint, using Get Ready consistently, and constructing LabBooks with long-term efficiency in mind, laboratories can reduce downtime, improve reproducibility, and strengthen confidence in analytical results.<h3>Looking ahead to part 2</h3><blockquote>In Part 2 of the Qtegra Tips &amp; Tricks series, we will focus on post-analysis best practices. Topics will include interpreting signal intensities, reviewing calibration performance, evaluating recoveries and readbacks, applying flags effectively, exporting data, and implementing practical workflow improvements discussed in Part 1.</blockquote>By building a structured approach to both preparation and data review, laboratories can transform routine analysis into a streamlined, reliable, and repeatable process.We look forward to continuing the discussion in Part 2.<h5>Acknowledgement</h5>I would like to thank Matthew Gregory Field Applications Scientist, North EMEA, Trace Elemental Analysis and David Fishwick Field Applications Scientist, North EMEA, Trace Elemental Analysis for the support on this blog and the webinars<h4>Sign up for our webinars live and on demand.</h4>English<ul><li><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/webinar/5795">Lunch and Learn Tips and Tricks Series: Qtegra Part 1</a></li><li><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/webinar/5976">Lunch and Learn Tips and Tricks Series: Qtegra Part 2</a></li><li><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/webinar/5977">Lunch and Learn Tips and Tricks Series: Trace Elemental Analysis (ICP-OES &amp; ICP-MS)</a></li><li><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/webinar/5978">Trace Elemental Analysis: Ask the Expert</a></li></ul>Deutsch<ul><li>19. März 2026 <a target="_blank" rel="noopener noreferrer" href="https://event.on24.com/wcc/r/5179134/393E071E3B501943730958BA6203F477">Interne Standards in der ICP-OES: Ein Praxisguide für zuverlässige Qualitätssicherung im Labor</a></li><li>18. Juni 2026 <a target="_blank" rel="noopener noreferrer" href="https://event.on24.com/wcc/r/5179292/AE4C576B6A54D1AC182F7F77573D380F">Fehler reduzieren, Durchsatz steigern: Autoverdünnung mit PrepFast am ICP-MS</a></li><li>17. September 2026 <a target="_blank" rel="noopener noreferrer" href="https://event.on24.com/wcc/r/5179423/B5019C560431BADCA2A76E54E4EFE56F">ICP-OES smarter nutzen: Probendurchsatz erhöhen, Ressourcen sparen</a></li><li>17. Dezember 2026 <a target="_blank" rel="noopener noreferrer" href="https://event.on24.com/wcc/r/5179530/94EEDD1F56138F5EEE2AF24E29E6C12A">Qtegra ISDS Software Unlocked – Live im Expertengespräch</a></li></ul>Visit us on&nbsp;<a target="_blank" rel="noopener noreferrer" href="https://www.linkedin.com/showcase/72003132/admin/dashboard/">LinkedIn:</a>&nbsp;#Qtegra, #ICPMS, #ICPOES, #TraceElementalAnalysis<blockquote><h5>Petra Gerhards</h5>Petra Gerhards, Dipl-Ing, is Regional Marketing Manager of GC and GC-MS for EMEA at Thermo Fisher Scientific. She has more than 29 years of experience in the fields of GC-MS, SPE and LC-MS. Since joining the regional team she has contributed to workflow solutions combining vials and closures with SPE solutions, GC-MS and LC-MS. She works with KOL's on data for regional specific marketing campaigns, organizes in-house seminars and works on customer specific solutions. Her main expertise is in the field of doping and drugs-of-abuse analysis.</blockquote>

Mastering Qtegra Software: Practical Strategies to Improve Your Daily Lab Workflow

Since the beginning of this year, a project to develop a light-based electron microscope, LightEM, has been underway at CEITEC Brno University of Technology (BUT). The principal investigator is Andrea Konečná from CEITEC BUT and the Faculty of Mechanical Engineering BUT, who has secured support for the project through the prestigious ERC CZ program. Over the next five years, her research team aims to develop and test a light-based electron microscope. This technology would allow scientists to adaptively modulate the electron beam during experiments or observe processes over time – capabilities that are not possible with conventional electron microscopes.<img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/CEITEC_VUT_Vaclav_Konicek_Mikroskop_budoucnosti_Spojeni_svetla_a_elektronu_ziskalo_prestizni_grant_4_2062655721.jpeg" alt="CEITEC/Václav Koníček: Microscope of the Future: Combining Light and Electrons Wins Prestigious Grant: Andrea Konečná's group" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_CEITEC_VUT_Vaclav_Konicek_Mikroskop_budoucnosti_Spojeni_svetla_a_elektronu_ziskalo_prestizni_grant_4_2062655721.jpeg 235w," sizes="100vw" width="1600" height="1067">Over the coming five years, Andrea's team will work on improving existing electron microscopes. Her project, Light-Based Electron Microscope (LightEM), focuses on the interaction between electrons and light and could help overcome some of the limitations of classical electron microscopy. “We are trying to improve the electron beam. What we want to do is, figuratively speaking, shoot an intense laser beam into the microscope and influence electrons using light. Simply put, we aim to create adjustable ‘glasses’ for the electron microscope using light and change how optics is traditionally done in electron microscopy,” explained Andrea.According to her, this approach should bring higher resolution, new imaging techniques, and the ability to study dynamic processes. “With light, the resolution should be even better. Moreover, we could image sensitive samples, which is usually problematic. We could also observe processes over time –&nbsp;stimulate a sample with light, for example by heating it, and then dynamically monitor what is happening,” she added.<h3>The microscope will offer better resolution and new imaging techniques</h3>Andrea points out that standard electron microscopes use magnetic lenses to image and focus electrons onto a sample, but these lenses have imperfections that limit resolution. The best electron microscopes in the world therefore use many lenses – similar to professional camera lenses – to compensate for these defects and achieve atomic resolution. A light-based electron microscope could change this.“We would like to demonstrate that such complex lens systems –&nbsp;whose production, alignment, and operation are very expensive and demanding –&nbsp;could be replaced by a specially modulated laser beam. Compared to conventional lenses, a laser beam can be used not only for magnification, reduction, or aberration correction, but also offers great flexibility and the possibility to create new ‘exotic’ types of electron beams. Electrons don’t have to be focused only into a point; we can create a beam shaped like a ‘donut.’ In addition, the beams could be modulated quickly and adaptively,” said Andrea.According to her, such a modified microscope could be used in many fields. “Thanks to the possibility of light-based modulation of the electron beam during experiments, we could more efficiently image sensitive samples, which is crucial for biology. Or we could detect defects in materials and semiconductor components more quickly,” she added.This is highly unique research with no equivalent in scope, either in the Czech Republic or abroad. According to Andrea, only a few studies on the topic have been published so far. “At the time I was writing the grant, only a few theoretical and experimental papers had demonstrated the basic concept –&nbsp;that electrons can be focused or otherwise modulated using a laser beam. But they did not go as far as we would like, namely to create a prototype microscope where part of the standard electron optics is replaced by a laser beam,” she said.<img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/CEITEC_VUT_Vaclav_Konicek_Mikroskop_budoucnosti_Spojeni_svetla_a_elektronu_ziskalo_prestizni_grant_3_1ec4c49bf5.jpeg" alt="CEITEC/Václav Koníček: Microscope of the Future: Combining Light and Electrons Wins Prestigious Grant: Andrea Konečná's research" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_CEITEC_VUT_Vaclav_Konicek_Mikroskop_budoucnosti_Spojeni_svetla_a_elektronu_ziskalo_prestizni_grant_3_1ec4c49bf5.jpeg 235w," sizes="100vw" width="1600" height="1067"><h3>Unique research supported by the Ministry of Education</h3>The project’s strong potential is confirmed by the fact that Andrea Konečná received an ERC CZ grant from the Czech Ministry of Education, Youth and Sports. The program aims to support researchers who applied for a European ERC grant, succeeded in evaluation, but were not funded due to limited resources.“There is enormous competition within the European ERC program. I submitted this project twice and both times advanced to the second round, where I presented it and discussed it with the panel. Each time I received an A rating, but unfortunately without funding. The Ministry looks at these European evaluations and ultimately supported my project. To be honest, it is mainly about prestige, because otherwise the conditions are the same. The project still runs for five years, and the Ministry supported it in full, so we receive the same funding we would have received from the European Union,” Andrea noted.<img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/CEITEC_VUT_Vaclav_Konicek_Mikroskop_budoucnosti_Spojeni_svetla_a_elektronu_ziskalo_prestizni_grant_2_3114b2e414.jpeg" alt="CEITEC/Václav Koníček: Microscope of the Future: Combining Light and Electrons Wins Prestigious Grant: Andrea Konečná's research" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_CEITEC_VUT_Vaclav_Konicek_Mikroskop_budoucnosti_Spojeni_svetla_a_elektronu_ziskalo_prestizni_grant_2_3114b2e414.jpeg 235w," sizes="100vw" width="1600" height="1067"><h3>Two prestigious grants – and motherhood alongside</h3>A few years ago, Andrea Konečná also received the prestigious JUNIOR STAR grant from the Czech Science Foundation, which supports outstanding early-career researchers. She is currently the principal investigator of two major projects, while also balancing motherhood since last year.“Maybe it’s still too early to evaluate, because my daughter is still small and I was on maternity leave for some time. But honestly, it is demanding. At the same time, the flexibility of our work makes it easier than in other professions. Moreover, the JUNIOR STAR project is already in its fourth year, and several excellent PhD and master’s students have joined during that time, so many smaller projects were able to continue even during my maternity leave. I’m also happy that several of these colleagues will now join the ERC CZ project,” she concluded.<img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/CEITEC_VUT_Vaclav_Konicek_Mikroskop_budoucnosti_Spojeni_svetla_a_elektronu_ziskalo_prestizni_grant_1_8369f441d5.jpeg" alt="CEITEC/Václav Koníček: Microscope of the Future: Combining Light and Electrons Wins Prestigious Grant: Andrea Konečná" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_CEITEC_VUT_Vaclav_Konicek_Mikroskop_budoucnosti_Spojeni_svetla_a_elektronu_ziskalo_prestizni_grant_1_8369f441d5.jpeg 235w," sizes="100vw" width="1600" height="1067"><h3>A major success for CEITEC Brno University of Technology</h3>“I greatly appreciate the success of Andrea Konečná, who managed to succeed in a highly competitive environment. It is the result of long-term high-quality scientific work and significant personal dedication. At the same time, I am pleased that at BUT, we are systematically creating conditions to support excellent research. One of the key tools is the Research Excellence Support Fund, through which we motivate and support researchers in preparing applications for prestigious grants such as ERC, EXPRO, JUNIOR STAR, or MSCA. These are precisely the types of projects that push the boundaries of knowledge and strengthen the international standing of our university,” said Martin Weiter, Vice-Rector of BUT for Research and Knowledge Transfer.

Microscope of the Future: Combining Light and Electrons Wins Prestigious Grant

Our Library never stops expanding. What are the most recent contributions to LabRulezICPMS Library in the week of 30th March 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 Metrohm, Shimadzu, Thermo Fisher Scientific and Waters Corporation!<h3>1. Metrohm: Quantification of methanol in contaminated spirits</h3>Protecting consumers from contaminated beverages<ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/labrulez-bucket-strapi-h3hsga3/an_rs_056_download_3b37cb883a.pdf">Full PDF for download</a></li></ul>An alarming global trend highlights the serious harm that can result from ingesting illegal, improperly distilled alcohol. Home-distilled spirits prepared using industrial solvents (i.e., wood alcohol) and presented as legitimate alcoholic beverages often contain methanol. Methanol causes blindness and can lead to death when ingested. This has led to fatal consequences around the world [1–3].&nbsp;The breaking point for the Czech Republic came in September 2012. The sale of hard liquor was temporarily banned after 20 people died from the consumption of spirits with dangerous levels of methanol [2]. After an exhaustive study using various screening tools, the Czech Republic adopted Raman spectroscopy as the method of choice for identifying and quantifying methanol in contaminated spirits. This Application Note demonstrates how Raman spectroscopy can be employed as an efficient and rapid screening method for samples of rum contaminated with methanol.<h4>EXPERIMENT&nbsp;</h4>This example study measures commercially available coconut rum that is spiked with methanol in concentrations between 0.33% and 5.36%. The <a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/library?mainauthorItems=220&amp;search=iRaman">iRaman NxG 785H</a> with a fiber-optic probe is used to collect Raman spectra of the mixtures (Figure 3). Table 1 lists the relevant equipment and instrument settings used for this application study. The peak at around 1000 cm-1 (highlighted by the inlay of Figure 3) visibly increases with increasing concentration of methanol, becoming significant at approximately 1%.<h4>CONCLUSION</h4>These results validate that Raman spectroscopy can be used for rapid, quantitative screening of dangerous adulterants in alcoholic beverages. This technique can be expanded to investigate adulteration in other media such as food, petroleum, and pharmaceutical drugs [4].<h3>2. Shimadzu: Evaluation of Organic Impurities in Lithium Carbonate by TOC Analysis</h3><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/labrulez-bucket-strapi-h3hsga3/an_01_01098_en_ec9b3e73fc.pdf">Full PDF for download</a></li></ul><h4>User Benefits</h4><ul><li>TOC analysis enables effective control of organic impurities in lithium carbonate.</li><li>Using the combustion tube kit for high-salt samples can extend the lifespan of the combustion tube and catalyst, reducing maintenance frequency.</li><li>With the <a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/library?mainauthorItems=1&amp;search=ASI-L+autosampler">ASI-L autosampler</a>, multiple samples can be measured automatically, improving throughput and efficiency</li></ul>Lithium carbonate (Li2CO3) is an important material used in a wide range of applications in the lithium-ion battery industry. For example, it is used as a lithium source for cathode active material synthesis and electrolyte salt production, as a raw material for oxide-based solid electrolytes, and as a form of lithium commonly recovered in recycling processes.&nbsp;Because impurities in lithium carbonate can affect downstream processes and final products, appropriate control is essential. In particular, organic impurities require especially careful attention because they may originate from so many sources, such as solvents and processing aids used during purification, residual organics from manufacturing steps, or contamination introduced during handling and storage.&nbsp;Total organic carbon (TOC) analysis offers an effective way to manage such organic impurities in raw materials. This article presents an example of using a <a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/library?mainauthorItems=1&amp;search=TOC-L">Shimadzu TOC-L</a> total organic carbon analyzer (Fig. 1) to evaluate the TOC content of lithium carbonate.<h4>TOC Analysis&nbsp;</h4><h5>TOC Analysis Methods&nbsp;</h5>Two commonly used methods are available for TOC analysis:&nbsp;(1) TC - IC method: Total carbon (TC) and inorganic carbon (IC) are measured separately, and then TOC is calculated as the difference (TOC = TC – IC).(2) NPOC method: TOC is measured as non-purgeable organic carbon (NPOC). After acidifying the sample to pH &lt; 3, IC is subsequently removed by sparging and the remaining carbon is measured as TC, which is regarded as TOC. The acidification and sparging steps are performed automatically by the instrument.&nbsp;For lithium carbonate solutions, the amount of carbonatederived IC is typically very high. As a result, the TC–IC method tends to yield calculated TOC values with a larger relative error. Therefore, the NPOC method isrecommended.&nbsp;In lithium carbonate solutions prepared as described above, IC is expected to be present mainly as bicarbonate (HCO3 –) and carbonic acid (H2CO3). If IC is not fully removed during NPOC pretreatment, the TOC result may be overestimated. Therefore, thorough IC removal is critical for samples with high IC content. For actual samples, sparging parameters, such as sparge gas flow rate and sparge time settings, can be adjusted.&nbsp;<h5>Combustion Tube for High-Salt Samples&nbsp;</h5>The prepared lithium carbonate solution contains a large amount of salts. When a large number of salt-containing samples are analyzed, salts may accumulate inside the combustion tube, which can lead to catalyst clogging, reduced sensitivity, and poorer repeatability.For this analysis, the optional combustion tube for high-salt samples was used, shown in Fig. 2. The high-salt combustion tube has a larger diameter than the standard combustion tube and contains larger catalyst particles to help mitigate saltrelated clogging. Thus, the frequency of combustion tube replacement can be significantly reduced.<h4>Conclusion&nbsp;</h4>In this article, TOC analysis was performed for a 10 g/L lithium carbonate solution using a Shimadzu TOC-L total organic carbon analyzer. By measuring TOC in the prepared solution, the TOC content in the lithium carbonate solid was calculated. The results showed good recovery rates in the spike-recovery test and consistent performance was also confirmed during long-term continuous analysis. These findings demonstrate that the TOC-L is a reliable solution for measuring TOC in lithium carbonate and for effective management of organic impurities.&nbsp;When applying the NPOC method to lithium salt-containing solutions, careful selection of the acid is essential because salts formed during acidification can affect both data quality and instrument condition. For this example, sulfuric acid is recommended.In addition, using the optional combustion tube kit for high-salt samples can extend the lifespan of the combustion tube and catalyst, thereby reducing maintenance frequency. This option is especially helpful for samples with high salt concentrations.&nbsp;In addition to lithium carbonate, the TOC-L can also be applied to TOC analysis of lithium hydroxide solutions, determination of water-extractable TOC in recycled black mass, and analytical needs in lithium refining processes based on direct lithium extraction (DLE). With its broad applicability across various upstream materials, recycling streams, and refining processes, the TOC-L supports both quality control and process optimization operations throughout the lithium-ion battery value chain.<h3>3. Thermo Fisher Scientific: Evaluating Silicon using Raman Microscopy</h3><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/labrulez-bucket-strapi-h3hsga3/vib_silicon_analysis_with_raman_microscope_app_note_mcs_an1232_en_11_2024_1887815_web_50639c9148.pdf">Full PDF for download</a></li></ul>Raman spectroscopy is a form of vibrational spectroscopy that probes chemical bonds and molecular structure and is sensitive to small changes in chemical and structural environments. The Raman spectrum of a material is a molecular “fingerprint” that can be used for identification of unknown materials and for characterizing and qualifying expected materials. Since intermolecular effects and lattice vibrations are also detected, it can be used to evaluate crystallinity. Mechanical phenomena such as strain can also be detected from peak shifts in Raman spectra. Raman imaging allows visualization of the distribution of components or changes in physical state across the sample.<h4>Silicon in aluminum&nbsp;</h4>Silicon is used in alloys with aluminum to increase the strength of lightweight aluminum-based parts. Addition of silicon to aluminum also alters the viscosity of melted aluminum, improving the castability. These alloys typically contain 3% to 25% silicon. While silicon and aluminum can form a eutectic mixture, it is common to have finely dispersed silicon particles throughout the material.¹ The size and distribution of silicon particles can affect the strength of the aluminum.&nbsp;One common example of an aluminum product, aluminum foil, is made up of almost pure aluminum (approximately 98.5%) but it does contain small amounts of silicon and iron.² Raman imaging of a piece of aluminum foil reveals small particles of silicon (Figure 1). A <a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/products/2237">Thermo Scientific™ DXR3xi Raman Imaging Microscope </a>was used with a 532 nm laser and a 100X&nbsp;metallurgical objective to collect the Raman imaging data. An area of 408 μm x 208 μm was imaged using an image pixel size of 1 μm. The Raman image, based on the 520 cm-1 peak of silicon, shows the spatial distribution of the particles and image analysis provides size and shape information. In this case, 81&nbsp;silicon particles were identified with a size (area) range of 6-151 μm². This analytical approach may be extrapolated to other types of Si/Al alloy parts.<h4>Conclusion&nbsp;</h4>The importance of silicon as a technologically significant material cannot be overstated. It has properties that make it useful in numerous different types of products. Raman micro-spectroscopy has proven itself an important tool for the assessment of molecular structure and physical states of silicon. Raman images provide a way to observe the spatial distribution of silicon and silicon-containing components, structural variations such as crystallinity, and physical effects such as strain. This note showed a few representative examples to illustrate some of the advantages offered by Raman microscopic analysis of silicon. The coverage is not intended to be comprehensive as there are numerous other areas where the Raman analysis of silicon is currently employed and other opportunities where it could be used. The Thermo Scientific DXR3 Raman Microscope and the Thermo Scientific DXR3xi Raman Imaging Microscope have both been shown to be excellent choices for the Raman analysis of silicon samples.<h3>4. Waters Corporation: High-Throughput Detection of Degraded Polysorbate in Biological Formulations with FMM</h3><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/labrulez-bucket-strapi-h3hsga3/720009114_en_99c7483d1a.pdf">Full PDF for download</a></li></ul>The FDA requires that all biologic formulations be free of visible particles and has defined allowable levels of subvisible particles (SVPs) larger than 10 µm to ensure the potency, efficiency, and safety of these drug.1 While most protein drug particle analysis focuses on particles formed due to formulation instability, SVPs formed through the degradation of formulation excipients must also be considered.&nbsp;Polysorbates 20 (PS20) and 80 (PS80), best known as Tween-20 and -80, are excipients used in &gt;70% of marketed parenteral biological drugs to improve product stability and shelf life.2 However, when these formulations are stored for long periods of time (&gt;6 months) at low temperatures (4 °C), visible and subvisible particles are formed due to the enzymatic hydrolysis of the polysorbates by host cell proteins (HCPs) such as esterases and lipases.3,4 PS20 in particular has been found to be extremely prone to degrading into fatty acid particles.5 Lauric, myristic and palmitic acids are the most common fatty acid degradation products, and there is a direct correlation between low fatty acid solubility and particle formation in common formulation buffers.3–7 However, high-throughput, sensitive, and specific analysis of polysorbate particles has been difficult due to their complex chemistry and their low concentrations (&lt;&lt;0.5%) in high protein concentration (&gt;100–200 mg/mL) formulation environments, making it a perennial needle in a haystack problem.In this application note, we introduce the Aura™ polysorbate degradation assay, a specific and quantitative assay that detects free fatty acid particles (FFAs) formed during polysorbate degradation on Aura PTx System. The assay analyzes 96 samples using anywhere from 5 µL–10 mL of sample in a few hours. <a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/products/2190">Aura™ Systems</a> use backgrounded membrane imaging (BMI) and fluorescence membrane microscopy (FMM) to count, size and ID particles from 1 µm to 5 mm. Fluorescent labels utilized by FMM are selected based on thier ability to interact with particles of a certain nature, allowing for the generation of key information related to identity of the particles.<h4>Results and Discussion&nbsp;</h4><h5>Morphological Appearance of Different Fatty Acid Particles&nbsp;</h5>Aura systems image every particle, enables subvisible particle size distributions analysis, and makes morphological differentiation possible using built-in image analysis filters. When we analyze different free fatty acid solutions with Aura PTx System, we find that each forms particles with different morphological characteristics. Lauric acid particles are large and irregular clusters, myristic acid particles are small and oval shaped, and palmitic acid particles form fibril-like particles and small circular clusters (Figure 2a-c). These unique morphological characteristics suggest the presence of free fatty acid particles that can then be confirmed with FMM using labeled fluorescence.<h4>Conclusion&nbsp;</h4>Aura PTx System and <a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/products/2190">Aura+ System</a> can easily detect the major degradation components of PS20 in proteincontaining samples at any stage of the drug manufacturing process. The method only requires 5 µL of sample, is specific and sensitive, and can analyze 96 samples in just a few hours, far outperforming other techniques. Aura PTx System and Aura+ System can also identify and differentiate the key degraded particulates from polysorbate formulation by their distinguishable shape, appearance, and specific labeling with BODIPY FL C16. The Aura polysorbate assay can detect FFAs at concentrations relative to lauric acid above 9.38 µM (&gt;2183 counts/mL) and quantitate above 18.75 µM (&gt;2976 counts/mL).

News from LabRulezICPMS Library - Week 14, 2026

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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 KnowItAll Quantitation

Streamline quantitation with Wiley KnowItAll—an integrated, vendor-neutral tool for GC-MS, IR, UV-Vis & more. Simplifies workflows and eliminates the need for multiple software tools.

<h4>Consolidate your software &amp; analytical workflow using KnowItAll’s integrated quantitation application</h4>Wiley’s KnowItAll now goes beyond substance identification to include quantitative analysis with an integrated, vendor-neutral tool, streamlining workflows and eliminating the need to juggle multiple software packages.The new Quantitation tool supports GC-MS, IR, Raman, UV-Vis, and GC data and offers intuitive, step-by-step processes for external/internal calibration and standard addition. By working within the familiar KnowItAll interface, it reduces training time and minimizes errors from manual tools like Excel.Available as an option in KnowItAll and included in Campus-Wide subscriptions, the tool is also VPAT 508 accessible.

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>

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 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">

Thermo Scientific™ OXSAS™ Optical Emission Analytical Software

Thermo Scientific™ OXSAS™ software for OES enables fast, accurate metals analysis, method and calibration development, automation, and easy batch processing.

Perform rapid high quality metals analyses with a customizable software solution for optical emission spectrometers. Flexible and powerful Thermo Scientific™ OXSAS™ Optical Emission Analytical Software runs a variety of analyses, including the development of new analytical methods and calibrations as well as rapid high-quality routine elemental analysis.&nbsp;From simple tasks to complex jobs, the OXSAS software platform can perform many operations in a single click and is designed to evolve to meet your needs throughout your instrument's lifetime.<h3>📋 Template-Driven Analysis</h3><ul><li>Simple, comprehensive analysis of unknown samples.</li><li>Required analytical parameters and results processing details pre-defined in the routine analysis shortcut.</li><li>One click creation of a batch with all samples requiring analysis.</li><li>Automatic Method Choice selects the best analytical parameters set without user intervention.</li></ul><h3>⚙️ Fast Calibration</h3><ul><li>Multiple analyte curve display, instant base curve calculation, templates for editing and measuring of calibration standards.</li><li>Calibration curve determination using multi-variable regression with additive and multiplicative correction models.</li></ul><h3>🖥️ Familiar User Interface</h3><ul><li>Comprehensive post-treatment of results, including export and Microsoft™ Excel support.</li><li>Integrated Microsoft SQL Server Express relational database stores setup and analyses data.</li><li>Export and import facilities allow calibration standards, methods or grades to be easily transferred between instruments.</li><li>Full network and serial transmission capabilities.</li><li>Common software platform with the <a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/products?manufacturerItems=3&amp;search=WDXRF">WDXRF Thermo Scientific series</a> instrument range.</li><li>Supports Thermo Scientific SMS system for full automation of sample analysis.</li><li>Monitoring and maintenance tools to maximize uptime.</li><li>Measurement Uncertainty and Conformance Probability on unknown samples analysis.</li><li>SCT Manager: status and history overview of instrument and method analytical capability.</li><li>Comprehensive, on-line contextual Help.</li><li>Real, on-line integrated SPC.</li><li>Key to Metals: comprehensive steel and nonferrous metals database with cross-reference.</li></ul><h3>🔌Instrument Compatibility</h3>Supports the Spark option of the:<ul><li><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/products/1977">Thermo Scientific™ ARL iSpark™ Plus</a></li><li><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/products/1213">ARL iSpark™</a></li><li>Thermo Scientific™ ARL 4460™ Optical Emission Spectrometer</li></ul>Allows complex calculations such as:<ul><li>element soluble/insoluble</li><li>element inclusions (number, size and chemical composition)</li><li>with no additional analysis time</li></ul><h3>🧩 Options for OXSAS Software</h3><ul><li>Charge correction: calculates material weights to correct out-of-spec charges.</li><li>SPC-Full: full graphical extension for on-line Statistical Process Control.</li><li>ARLcom: result transmission over network or serial via TCP/IP or to files/printers.</li><li>Remote Sample Definition: sample registration from external applications anywhere on the network.</li></ul><h3>✅ Compatible with:</h3><ul><li><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/products/1977">ARL iSpark Plus Optical Emission Spectrometer</a></li><li>ARL iSpark Plus Fire Assay Analyzer</li><li><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/products/1213">ARL iSpark Optical Emission Spectrometer</a></li><li>ARL 4460 Optical Emission Spectrometer</li><li>Thermo Scientific™ ARL™ Fire Assay Analyzer</li></ul>

Thermo Scientific™ OXSAS™ X-Ray Fluorescence Analysis Software

Thermo Scientific™ OXSAS™ is a powerful and customizable XRF software that enables fast, template-driven analysis, automation, and standardless quantification options.

Enhance your lab efficiency and productivity with a customizable software solution that operates with XRF spectrometers. The flexible and powerful Thermo Scientific™ OXSAS™ X-ray Fluorescence Analytical Software performs rapid, high-quality sample analysis using template-driven operations.Optional standardless quantitative analysis packages offer additional versatility for labs analyzing a wide range of materials. This platform evolves to meet changing needs with up-to-date solutions throughout the instrument's lifetime.<h3>⚙️ Ease of Use</h3><ul><li>Integrated Analytical Assistant guides method creation/extension, suggesting optimal parameters for fast and accurate analysis.</li><li>Automatic Method Choice selects the best parameter set without user intervention.</li><li>Routine analysis requires minimal data-entry (e.g., just sample ID).</li><li>One-click batch creation for all samples requiring analysis.</li><li>Simple batch definition and management allows sample prioritization.</li></ul><h3>🖥️ Familiar User Interface</h3><ul><li>Comprehensive post-treatment of results, including export and Excel support.</li><li>Integrated Microsoft SQL Server Express database stores setups and data.</li><li>Export/import functions simplify transfer of standards, methods, or grades between instruments.</li><li>Regular software updates available from the OXSAS website.</li><li>Monitoring and maintenance tools help maximize system uptime.</li><li>Real-time integrated SPC (Statistical Process Control).</li><li>SCT Manager provides overview of instrument and method capability.</li><li>Measurement Uncertainty and Conformance Probability reporting for unknowns.</li></ul><h3>⚡Fast Calibration</h3><ul><li>Multiple analyte curve display, instant base curve calculation, calibration templates.</li><li>Multi-variable regression and correction models with integrated theoretical alpha calculation.</li></ul><h3>🧩 Available Options</h3>Optional standardless analysis packages for broader capability:<ul><li>Thermo Scientific™ QuantAS™ – Semi-quantitative analysis.</li><li>Thermo Scientific™ UniQuant™ – Analyze up to 79 elements in unknown samples without specific calibration, no certified reference materials needed.</li></ul><h3>🔧 Other Options</h3><ul><li>ARLcom: Result transmission via LAN/TCP/IP, serial, or to files.</li><li>Remote Sample Definition: Sample registration from external networked applications.</li><li>Automation: Supports Thermo Scientific SMS for fully automated analysis.</li><li>Charge correction: Calculates material weights needed to adjust out-of-spec charges.</li><li>SPC-Full: Full graphical package for online Statistical Process Control.</li></ul><h3>✅ Compatible with:</h3><ul><li><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/products/1211">Thermo Scientific™ ARL™ PERFORM'X Series</a></li><li><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/products/1212">Thermo Scientific™ ARL™ OPTIM'X Series</a></li><li><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/products?manufacturerItems=3&amp;search=9900">Thermo Scientific™ ARL™ 9900 IntelliPower Series</a></li></ul>

Thermo Scientific SolstiX XRD Software with Security Suite

SolstiX™ XRD Software with Security Suite for ARL™ EQUINOX enables FDA 21 CFR Part 11 compliance with audit trails, digital signatures, and advanced data security.

Thermo Scientific™ SolstiX™ XRD Software with Security Suite is designed for the <a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/products?category=252&amp;manufacturerItems=3&amp;search=EQUINOX+">Thermo Scientific™ ARL™ EQUINOX X-ray diffractometer</a> range and enables compliance with 21 CFR Part 11 (Electronic Records / Electronic Signatures).Security Suite Software integrates directly into SolstiX Software and provides advanced data security and integrity tools to meet regulatory requirements. The software logs changes to files associated with SolstiX Software, even when the software itself is not running.<h3>Key Features</h3><h4>21 CFR Part 11 Compliance</h4><ul><li>Meets FDA Code of Federal Regulations Title 21, Part 11 requirements</li><li>Designed using a strictly controlled Product Development Process (PDP)</li><li>Full traceability in specification, revision control, and software validation</li></ul><h4>Full System Access Control</h4><ul><li>Works with Windows security to authenticate operators</li><li>Software access controlled per user on single or multiple instruments</li><li>Can be configured per user, per system, or enterprise-wide</li></ul><h4>True Digital Signatures</h4><ul><li>Cryptographic user authentication</li><li>Encrypted secure hash validation of signed files</li><li>Detects file tampering</li><li>Digital signature history included in audit trails</li></ul><h4>Complete Audit Trails</h4><ul><li>Non-editable spectral data processing histories</li><li>Tracks:<ul><li>Changes to data by any operator</li><li>Digital signature history</li><li>Comments added to collection information</li><li>Data collection information</li><li>Errors during data collection</li></ul></li><li>Event logging includes:<ul><li>Security Administration database changes</li><li>Security Server activity</li><li>File creation, modification, renaming, deletion (even when software is not running)</li><li>Log-on, log-off, failed log-on</li><li>File signing and failed signing events</li></ul></li></ul>Entries include user name, date and time (with GMT reference), and reason for change. The history is embedded in the spectral data file and is not editable.<img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Thermo_Scientific_Solsti_X_XRD_Software_with_Security_Suite_3_d00e9f36ef.jpg" alt="Thermo Scientific SolstiX XRD Software with Security Suite: This comprehensive activity tracking and logging assures you the ability to create detailed audit trails for your XRD instrument, and the data it generates." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Thermo_Scientific_Solsti_X_XRD_Software_with_Security_Suite_3_d00e9f36ef.jpg 245w," sizes="100vw" width="1405" height="824"><h4>Flexible Record Storage and Retrieval</h4><ul><li>Automatic saving of original raw data</li><li>Enables reproduction of experiments</li><li>Includes:<ul><li>Final format data</li><li>Sample interferogram</li><li>Background interferogram</li></ul></li><li>Retrieval and review in Thermo Scientific™ OMNIC™ Software or database/graphical programs</li><li>Automatic saving without operator intervention</li><li>Archiving options</li><li>Copying spectra and reports in graphical format to external programs</li></ul><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Thermo_Scientific_Solsti_X_XRD_Software_with_Security_Suite_2_4426bcf334.jpg" alt="Thermo Scientific SolstiX XRD Software with Security Suite: Y₂O₃ powder diffractogram." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Thermo_Scientific_Solsti_X_XRD_Software_with_Security_Suite_2_4426bcf334.jpg 222w," sizes="100vw" width="1298" height="913"><h4>Thermo Scientific Security Administration Server</h4>The Security Administration Server provides centralized control over:<ul><li>Software access</li><li>System policies</li><li>Digital signature meanings</li></ul>It can run:<ul><li>Stand-alone on an XRD workstation</li><li>As a server application to administer one or multiple systems</li></ul>Capabilities include:<ul><li>Prevent overwriting of files</li><li>Require digital signatures on file saves</li><li>Require reason entry when data is changed</li><li>Prevent changing directories when opening/saving files</li><li>Automatically lock workstation after inactivity</li><li>Control access to software features</li><li>Add, delete, or edit signature meanings</li><li>Preview and print user settings for inspection</li></ul>The system allows high security while maintaining productivity. Once configured, settings can be locked to prevent modification.<img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Thermo_Scientific_Solsti_X_XRD_Software_with_Security_Suite_4_a1fff7a67c.jpg" alt="Thermo Scientific SolstiX XRD Software with Security Suite." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Thermo_Scientific_Solsti_X_XRD_Software_with_Security_Suite_4_a1fff7a67c.jpg 245w," sizes="100vw" width="1386" height="827">

Thermo Scientific UniQuant Software for Standardless XRF Analysis

Thermo Scientific UniQuant Software for Standardless XRF Analysis enables fast and reliable elemental analysis of unknown materials without calibration and with minimal sample preparation.

Thermo Scientific™ UniQuant Software for Standardless XRF Analysis enables the characterization of unknown materials without the need for internal standards or certified reference materials. It delivers semi-quantitative to quantitative results by applying a methodology based on Fundamental Parameters combined with advanced proprietary algorithms for XRF data processing.The software is designed to handle a wide variety of sample types, including multi-element solids, pressed powders with or without binders, small samples on supporting films, liquids, and aerosol filters. This flexibility allows for reliable elemental identification and composition analysis within minutes.<ul><li>Sample preparation is typically minimal or not required. UniQuant can analyze up to 79 elements, from boron to americium, including their oxide forms.&nbsp;</li><li>For each element, the software reports the standard deviation (sigma) in ppm, along with results expressed in weight percent and an estimated error.</li><li>To ensure accuracy, the software applies corrections for background, spectral interferences, line overlaps, matrix effects, and selected physical influences.&nbsp;</li><li>High-power measurements are generally completed in less than 14 minutes, while samples belonging to known material groups can be analyzed in as little as 5 minutes.</li><li>For applications requiring enhanced accuracy, specially calibrated datasets can be used.</li></ul><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Thermo_Scientific_Uni_Quant_Software_for_Standardless_XRF_Analysis_3_197f7b4da1.jpg" alt="Thermo Scientific UniQuant Software for Standardless XRF Analysis" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Thermo_Scientific_Uni_Quant_Software_for_Standardless_XRF_Analysis_3_197f7b4da1.jpg 86w," sizes="100vw" width="644" height="1167"><h4>Thin Layer Samples</h4>For mono-layer samples, UniQuant can simultaneously determine layer composition and sample mass, including the associated standard deviation. If the substrate contains elements present in the layer, their influence is automatically taken into account.<h4>Interactivity</h4>The user interface is optimized to minimize the number of steps required for operation. It also enables rapid adjustment of analytical assumptions, such as switching between sulfide and oxide models for unknown sample evaluation.<h4>Batch Modes</h4>Batch processing is supported for both calibration (set-up) samples and groups of unknown samples. Samples can be organized and tagged within directories, allowing the analysis process to be initiated efficiently.<img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Thermo_Scientific_Uni_Quant_Software_for_Standardless_XRF_Analysis_2_40a60cb3ff.jpg" alt="Thermo Scientific UniQuant Software for Standardless XRF Analysis: UniQuant Software uses peak to peak acquisition allowing for best limits of detection." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Thermo_Scientific_Uni_Quant_Software_for_Standardless_XRF_Analysis_2_40a60cb3ff.jpg 245w," sizes="100vw" width="1530" height="760">

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