Our Library never stops expanding. What are the most recent contributions to LabRulezICPMS Library in week 40, 2024? Check out new documents from the field of spectroscopy, especially ICP/MS techniques!<blockquote>👉 <a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/library">SEARCH THE LARGEST REPOSITORY OF DOCUMENTS ABOUT ICPMS AND 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 to you applications by Agilent Technologies, Shimadzu, and Metrohm and a poster by Thermo Fisher Scientific!<h4>1. Agilent Technologies: <style type="text/css"></style><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/labrulez-bucket-strapi-h3hsga3/an_v_groove_nebulizer_5994_7788en_agilent_4ae77b4b3a.pdf">Reducing Instrument Downtime in Elemental Analysis of Lubricant Oils as per ASTM 5185</a></h4><ul><li>Application</li></ul><h5>Run samples faster and for longer using the V-groove nebulizer</h5>AbstractIn this application note, lubricant oil samples were analyzed using an Agilent 5900 Synchronous Vertical Dual View (SVDV) inductively coupled plasma optical emission spectrometer (ICP-OES) coupled with an Agilent Advanced Valve System 6 (AVS 6) and the Agilent V-groove nebulizer to enable the rapid analysis of over 1,000 samples in 6 hours (more than 160 samples per hour). The V-groove nebulizer provides exceptional performance characteristics, robustness, and durability, even when using troublesome samples. It also provides a reduction in sample loading on the plasma, which reduces carbon formation on the injector of the torch, allowing extended run times, while exceeding the sensitivity requirements required for the ASTM D5185-18 standard method.IntroductionElemental analysis of lubricant and hydraulic oils is essential for predictive and preventive maintenance, as well as trend analysis in many heavy industries. The ASTM D5185‑18 standard method1 is the gold standard in tribology laboratories globally to quantify additive elements, wear metals, and contaminants. This method uses ICP-OES for the rapid elemental determination of 22 elements in both used and unused lubricating and base oils, providing quick screening of used oils for signs of wear.Tribology laboratories typically process hundreds of samples daily; therefore, they are constantly searching for ways to enhance efficiency and improve sample throughput. Instrument downtime caused by blockages in the sample introduction system (SIS) can be a common problem in these high-throughput labs. These blockages are typically caused by suspended particles in the samples blocking the nebulizer, and carbon deposits blocking the injector of the torch. Although various methods exist to remove the blockage from the nebulizer and clean the torch, all require extinguishing the plasma to remove and clean the SIS.The use of a robust nebulizer is a strategy that can enable tribology laboratories to run more samples with reduced blockage. This will improve their workflows and increase sample throughput, reducing both instrument downtime and their running costs. One example of a robust nebulizer that helps to overcome the blockage issues is the inert, high-total-dissolved-solids (high-TDS) Agilent V-groove nebulizer, which is capable of aspirating highly dissolved solids and slurries (up to 30% dissolved solids with a maximum particle size of 350 μm). Its inert construction also ensures that any solvent can be nebulized.In this application note, used diesel engine lubricant oil samples were analyzed using the 5900 SVDV ICP-OES coupled with the AVS 6 and the V-groove nebulizer, following the ASTM D5185-18 standard method.&nbsp;ConclusionThis application note shows the suitability of the Agilent 5900 SVDV ICP-OES used with the Agilent AVS 6 and inert V-groove nebulizer for rapid multi-element analysis of used lubricant oil samples using the ASTM D5185-18 standard method.Excellent long-term stability was demonstrated when more than 1,000 samples were analyzed over a six-hour period (22 to 23 seconds per sample). All measurements of this spiked oil sample were within ± 10% of the expected value, with precision better than 5% RSD in most cases. The spike recovery study showed how the 5900 ICP-OES, used with the inert V-groove nebulizer, can accurately detect low range concentrations of wear metals and high concentrations of the elements from the additive package in a single analysis. The inert V-groove nebulizer also enabled the samples to be run faster, with excellent accuracy.Despite no oxygen injection being used, there were no signs of blockage of the injector of the torch, or carbon deposition after the test. The V-groove nebulizer design reduces sample loading on the plasma, minimizing carbon buildup while maintaining the sensitivity required for the ASTM D5185 standard method. No nebulizer blockage was experienced while collecting the data for this study. The inert V-groove nebulizer allows extended run times by reducing the frequency of torch and nebulizer maintenance. This demonstrates the stability of the 5900 ICP-OES and the suitability of the inert V-groove nebulizer for high-throughput tribology laboratories, by reducing instrument maintenance downtime and improving sample throughput.<h4>2. Thermo Fisher Scientific: <style type="text/css"></style><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/labrulez-bucket-strapi-h3hsga3/pn_002807_tea_icp_ms_halogens_wpc_2024_pn002807_en_b235f7ba82.pdf">WPC: Sensitive and interference free analysis of halogens using triple quadrupole ICP-MS</a></h4><ul><li>Poster / WPC</li></ul>ABSTRACTThe analysis of halogens is important in many different industries, such as environmental monitoring, pharmaceutical, oil and gas, but also Li-ion battery and renewable fuels. Halogen analysis is commonly carried out using ion chromatography (IC), whereas argon plasma-based techniques like ICP-MS are less common, due to poor sensitivitiy, and potential spectral interferences. This study describes a complete analytical workflow using the Thermo Scientific™ iCAP™ TQe ICP-MS for the accurate and precise quantification of challenging halogen analytes like fluorine, chlorine, and bromine.CONCLUSIONSThis work highlights how triple quadrupole ICP-MS systems, such as the iCAP TQe ICP-MS, operated in TQ-O 2 mode can be used for accurate and precise quantification of challenging analytes such as halogens.<ul><li>It could be shown that chlorine and bromine can be analyzed directly using optimized instrument conditions.</li><li>It further highlights the feasibility of iCAP TQe ICP-MS for indirect but accurate and precise determination of fluorine by following approach of complex formation with barium under optimized and controlled conditions</li><li>The analytical data and observations made during this study strongly suggest that iCAP TQe ICP-MS equipped with dedicated mass flow controllers (MFCs) for introduction of pure oxygen and pure helium as cell gases is a powerful tool to accomplish the otherwise challenging analysis of halogens.</li><li>Upcoming studies will focus on the application of the fluorine measurements in hyphenated techniques, such as liquid chromatography hyphenated to ICP-MS to assess the potential for emerging contaminant screening, i.e. of PFAS</li></ul><h4>3. Shimadzu: <style type="text/css"></style><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/labrulez-bucket-strapi-h3hsga3/an_01_00772_en_4935e06938.pdf">Analysis of Elemental Impurities in Anode Materials for Lithium-Ion Secondary Batteries Using the ICPE- 9820</a></h4><ul><li>Application</li></ul>User Benefits<ul><li>Elemental impurities in the anode materials of lithium-ion secondary batteries can be measured.</li><li>Even after measurement, elements and wavelengths can be added to check for unexpected elemental impurities in the anode materials.</li><li>The system uses a mini torch that consumes less argon gas, thus reducing running costs.</li></ul>IntroductionLithium-ion secondary batteries (LIBs) are widely used in mobile devices, electric vehicles, hybrid cars, and more. One of the components of LIBs, the anode, accumulates and releases Li ions during charging and discharging. Graphite-based materials are mainly used as the anode material in LIBs. In China, one of the major producers, the analysis of elemental impurities in graphite, which is used as LIB anode material, is required by GB/T 24533-20191) using inductively coupled plasma atomic emission spectroscopy (ICP-AES).In this Application News, elemental impurities in LIB anode materials were analyzed using the ICPE-9820. Spike recovery tests were performed to confirm the validity of the analytical values. Additionally, the “Acquisition for All Wavelength” feature allows for checking the presence of elemental impurities that were not subjected to quantitative analysis.ConclusionIn this Application News, an analysis of elemental impurities in LIB anode materials was performed using the ICPE-9820. Good spike recoveries were obtained, confirming the accuracy of the analysis. Additionally, elements and wavelengths were added after the measurement to identify elemental impurities other than the analyzed elements present in the anode materials.<h4>4. Metrohm: <style type="text/css"></style><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/labrulez-bucket-strapi-h3hsga3/an_pan_1064_download_39b556efd8.pdf">Monitoring complexing agents in galvanic baths inline with Raman spectroscopy</a></h4><ul><li>Application</li></ul>The main purposes of galvanic process baths include the surface refinement of workpieces and the setting of physical properties. To this end, bath additives (e.g., organic compounds or complexing agents) are regularly added in different amounts, depending on the processing load. Since the bath composition changes continuously due to the introduction of the workpieces, close monitoring of the concentration of the bath additives is necessary to ensure that the end product quality is at the highest level.This Process Application Note presents a method to accurately analyze complexing agents inline in galvanic baths with a 2060 Raman Analyzer from Metrohm Process Analytics. This enables real-time bath control and thus an increase in production efficiency and product quality.CONCLUSIONRaman spectroscopy is an easy-to-use analytical technique that identifies liquids and solids within seconds. The 2060 Raman Analyzer from Metrohm Process Analytics is a high-performance Raman system designed for monitoring different processes like electroplating.Together with Metrohm’s Vision and IMPACT software, the 2060 Raman Analyzer can be used to acquire real-time results, increase roductivity, and lower production costs.

News from LabRulezICPMS Library - Week 40, 2024

<h4>The Science</h4>Nuclear magnetic resonance (NMR) spectroscopy is used to detect and identify the structure of molecules, and it has become increasingly important in environmental science. The data produced from NMR analyses need a lot of additional processing to be useful. This makes it difficult for nonexperts to use and apply this technique. We introduce a new R package, called nmrrr, to process and visualize NMR data. This open-source package can be integrated into existing NMR processing workflows. The package can be used to process spectra and peak data, calculate relative abundances, and plot graphs of spectra. The nmrrr package is currently available on two platforms: CRAN and GitHub.<img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Pacific_Northwest_National_Laboratory_Kaizad_F_Patel_New_Soft_An_R_Package_for_NMR_Data_Processing_The_nmrrr_package_can_be_used_to_process_spectra_from_solution_and_solid_state_13f448377b.jpg" alt="Pacific Northwest National Laboratory / Kaizad F. Patel: The nmrrr package can be used to process spectra from solution- and solid-state." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Pacific_Northwest_National_Laboratory_Kaizad_F_Patel_New_Soft_An_R_Package_for_NMR_Data_Processing_The_nmrrr_package_can_be_used_to_process_spectra_from_solution_and_solid_state_13f448377b.jpg 208w," sizes="100vw" width="1600" height="1200"><h4>The Impact</h4>Despite advances in NMR analyses, manual integration and data processing are still the norm for environmental sample workflows. The nmrrr package is intended for processing NMR data, including cleaning data from multiple files, visualizing NMR spectra, performing binning/integrations for functional groups, and calculating relative abundances. A major feature of this package is its ability to batch-process multiple samples in a reproducible manner. This package is designed for use in the R language for statistical computing, and it can be easily inserted into analysis workflows to help analyze and interpret NMR data. The nmrrr package has a wide range of applications, as it can be used for various target nuclei, solution- and solid-state NMR data, and high-resolution magic-angle-spinning (HRMAS, gel-state NMR) data.<h4>Summary</h4>NMR spectroscopy is a useful tool for the detection and identification of molecular structural information and has increasing applications in environmental sciences. However, the outputs from NMR instruments contain many differences and require extensive post-processing, creating barriers to their use and application by nonspecialists. The nmrrr package processes and visualizes the spectral data obtained from one-dimensional solution- and solid-state NMR experiments. It also performs the relevant calculations commonly applied in natural organic matter communities, such as computing the relative abundances of various functional groups. In the publication below, the package’s installation, dependencies, and functions are documented, and a standard workflow for processing NMR data is presented. This package is currently available on CRAN and GitHub, and community contributions are welcome.<h4>Contact</h4>Kaizad F. Patel, Pacific Northwest National Laboratory,&nbsp;<a href="mailto:kaizad.patel@pnnl.gov">kaizad.patel@pnnl.gov</a><h4>Funding</h4>This research was supported by the Department of Energy (DOE), Office of Science, Biological and Environmental Research, as part of the Environmental System Science program, using data developed in the COMPASS-FME project and the River Corridors Science Focus Area at Pacific Northwest National Laboratory. PNNL is operated for the DOE by Battelle Memorial Institute.

An R Package for NMR Data Processing

The team of Professor&nbsp;<a target="_blank" rel="noopener noreferrer" href="https://hocek.group.uochb.cz/en">Michal Hocek</a> at IOCB Prague explores the limits of the structure and function of DNA and successfully pushes forward known boundaries. An article presenting the results of their latest research has just been published in the major scientific journal Nucleic Acids Research. They prove that even heavily modified double helices of DNA are stable enough to be used for special applications. This discovery might expand the possibilities of utilizing modified DNA, for example, in medicine.<img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/UOCHB_Tomas_Bellon_Scientists_from_IOCB_Prague_are_pushing_the_limits_of_DNA_b5c448f9a9.jpg" alt="ÚOCHB: Scientists from IOCB Prague are pushing the limits of DNA." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_UOCHB_Tomas_Bellon_Scientists_from_IOCB_Prague_are_pushing_the_limits_of_DNA_b5c448f9a9.jpg 245w," sizes="100vw" width="1910" height="1000">DNA consists of two long negatively charged chains that hold together even though they repel each other. This is made possible by what is known as stacking interactions and base pairing. Michal Hocek and his colleagues advanced the known limits when they modified DNA by adding an extra negative charge to each letter of the genetic code. This doubled the repulsive forces, yet the DNA double helix remained stable. They also found that such modified DNA not only holds together but that it can also be synthesized or replicated and sequenced using the enzyme DNA polymerase."Think of DNA as a scaffold on which you can attach various chemical compounds with different functions. These are small molecules, such as side chains of amino acids, which occur naturally only in peptides and proteins. In current medicine, we are able to use these molecules only to a relatively limited extent. The reason is that they are markedly unstable and get decomposed rapidly when inside an organism. One solution to this would be a stable skeleton to which they could be firmly attached. And DNA could be just such a base structure in the future," says Prof. Michal Hocek.<img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/UOCHB_Tomas_Bellon_Scientists_from_IOCB_Prague_are_pushing_the_limits_of_DNA_Prof_Michal_Hocek_Distinguished_Chair_and_head_of_Bioorganic_and_Medicinal_Chemistry_of_Nucleic_Acids_0a8c924ac4.jpg" alt="ÚOCHB / Tomáš Belloň: Prof. Michal Hocek, Distinguished Chair and head of Bioorganic and Medicinal Chemistry of Nucleic Acids." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_UOCHB_Tomas_Bellon_Scientists_from_IOCB_Prague_are_pushing_the_limits_of_DNA_Prof_Michal_Hocek_Distinguished_Chair_and_head_of_Bioorganic_and_Medicinal_Chemistry_of_Nucleic_Acids_0a8c924ac4.jpg 234w," sizes="100vw" width="1500" height="1001">The aim of this research carried out at IOCB Prague is to create DNA molecules that will mimic other chemical compounds. This would enable us to leverage the medicinal potential of certain biomolecules that are difficult to retain in the body. Examples of such biomolecules are the already mentioned peptides or proteins.The Hocek group has already made significant progress, although research in this direction is at its beginning worldwide. The team has, for example, succeeded at developing a novel modified aptamer, which is a short DNA sequence that can bind to a specific target molecule, most frequently a protein. Aptamers have similar properties to antibodies, but they are much more stable. For this reason, aptamers can potentially replace antibodies employed in medicine. However, the number of approved therapeutic aptamers globally can still be counted on the fingers of one hand.The current research exploring the limits of DNA is part of a larger project led by Michal Hocek, for which he has secured a prestigious EXPRO grant from the Czech Science Foundation. This is the second time its results have drawn interest from the journal Nucleic Acids Research. Previously, scientists from IOCB Prague published a method for the enzymatic synthesis of fully artificial DNA. During this synthesis, all nucleotides forming natural DNA are replaced by their modified versions with attached hydrophobic (i.e. water-repelling) molecules.

Scientists from IOCB Prague are pushing the limits of DNA

Article

Application

Poster

Scientific article

Science and research

Video

The Institute of Organic Chemistry and Biochemistry of the Czech Academy of Sciences (IOCB Prague) is a leading scientific institution in the Czech Republic, recognized internationally. Its primary mission is basic research in the fields of chemical biology and medicinal chemistry, organic and material oriented chemistry, chemistry of natural compounds, biochemistry and molecular biology, physical chemistry, theoretical chemistry, and analytical chemistry. 

Ústav organické chemie a biochemie AV ČR

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Pacific Northwest National Laboratory advances the frontiers of knowledge, taking on some of the world’s greatest science and technology challenges. PNNL is a U.S. Department of Energy national lab with distinctive strengths in chemistry, Earth sciences, biology, and data science that are central to our scientific discovery mission. PNNL’s research lays a foundation for innovations that advance sustainable energy through decarbonization and energy storage and enhance national security through nuclear materials and threat analyses. PNNL collaborates with academia in its fundamental research and with industry to transition technologies to market.

Pacific Northwest National Laboratory

DataApex Clarity Offline Chromatography Software

Clarity Offline allows users to import previously acquired data and to evaluate and prepare methods in regulated environment.

Clarity Offline allows users to import previously acquired data and to evaluate and prepare methods. This version cannot acquire data, but it can share data or even directly access (through LAN) projects of the <a href="https://lcms.labrulez.com/products/999">Clarity</a> and Clarity Lite software. With Clarity Offline users are able to work with acquired data on additional computers in the lab or at home. The software works with the same files and provides the same outputs (printing and exporting) as Clarity and Clarity Lite.
Clarity Offline is intended for use as additional software that supplements Clarity and Clarity Lite. It can also be used to evaluate data from other manufacturers&#39; CDS.
<blockquote>
Ask for <a href="https://www.dataapex.com/product/clarity-demo">Clarity Demo version</a> which allows you to get your hands on software before purchase
</blockquote>
<h3>Main features</h3>
<ul>
<li>21 CFR Part 11 compliance: Clarity Offline contains all functions (Electronic Signatures, User Accounts, Audit Trail, etc.) for compliance with the 21 CFR Part 11 directive of the FDA. Clarity Offline can be used for evaluation in regulated environments.
</li>
<li>Networked Solution: Clarity Offline can access files of Clarity and Clarity Lite installed on networked computers. This enables evaluation of chromatograms, development of new methods, and printing reports on additional computers in the laboratory.
</li>
<li>Education: An additional field of use is in education. Students can process chromatograms that have been acquired from Clarity connected to a chromatograph using their Clarity Offline license. Thus they do not need a Clarity full license just for data evaluation.
</li>
<li>Data processing and evaluation from other chromatography software: Clarity Offline allows the import of data from other chromatography software using text or AIA import function. This allows the user to process and evaluate chromatograms acquired by other chromatography software.
</li>
<li>Offsite computer: Clarity Offline can be installed on any Windows computer, giving you anytime access to your chromatographic data (USB hardware key is required).
</li>
<li>Language Localizations available: Useful for non-English speakers. At the moment, there are French, German, Russian, Spanish, and Chinese localizations available in a single installation package. Simply switch to your preferred language anytime.
</li>
</ul>
<a href="https://www.dataapex.com/controls">List of supported instruments</a>
<a href="https://www.dataapex.com/product/clarity-std-compatibility">Compatible Windows OS and Hardware</a>
<a href="https://www.dataapex.com/product/clarity-21cfr-compliance">Clarity 21 CFR Part 11 compliance</a>

DataApex EA - Elemental Analysis Extension for Clarity

Using features that are specific to EA Analysis, such as Standard Table, automatic weight input from analytical balance and other improvements, EA Extension provides an interactive and automated tool for determining the Carbon, Hydrogen, Nitrogen, Oxygen, and Sulfur (CHNS-O) content of unknowns.

<h3>The extension for elemental analysis</h3>
EA Extension is a software module for Elemental Analysis. Determining the Carbon, Hydrogen, Nitrogen, Oxygen, and Sulphur (CHNS-O) content of unknowns is one of the most basic and essential needs of any chemist. It provides a simplified version of the <a href="https://icpms.labrulez.com/products/999">Clarity</a> user interface that speeds up the workflow with elemental analyzers equipped with autosamplers. Its user interface is optimized for maximum efficiency in repetitive tasks. Using features that are specific to EA Analysis, such as Standard Table, automatic weight input from analytical balance and other improvements, EA Extension provides an interactive and automated tool for determining the Carbon, Hydrogen, Nitrogen, Oxygen, and Sulfur (CHNS-O) content of unknowns.
<h3>Main features</h3>
<ul>
<li>Calibration: Simplified work with template method and calibration. One setting is shared for all samples in the same sequence.
</li>
<li>Standard Table: For your convenience, the software contains Standard Table with a list of the most commonly used calibration standards and their elemental composition.
</li>
<li>Reporting: Clarity EA supports the printing of user defined protocols. Its configuration is saved in a report style, which defines the content and form through the printout. Protocols can be printed to the PDF file.
</li>
<li>Analytical balance: The Clarity Elemental Analysis Software provides direct interface with the analytical balance (Sartorius and Mettler). After weighing the sample, the operator presses the print key on the balance (or uses software instruction) to directly transfer the sample weight to the software sample information field thereby eliminating any possible transcription errors.
</li>
<li>Sequence Table: Measurement is managed using the Sequence Table. The Summary Table displays results clearly. ASCII and AIA data formats can be exported or imported directly.
</li>
<li>Database: Results can be exported in the .txt and .dbf format.
</li>
</ul>

Mestrelab Mnova Gears software

This comprehensive software suite, designed for building automation workflows, caters to your analytical data needs, spanning NMR, LC/GC-MS, and more.

<h3>Mnova Gears | Real-Time &amp; Batch processes</h3>
<h4>Automation Workflows for All Your Analytical Data Processes</h4>
Are you tired of the monotony of routine data processing? Mnova Gears (also known as Mgears) is here to free up your time for innovation and more engaging tasks. This comprehensive software suite, designed for building automation workflows, caters to your analytical data needs, spanning NMR, LC/GC-MS, and more. Simply set your analysis samples and SOPs, launch the process, and let Mnova Gears handle the rest. From data retrieval to processing and analysis, Mnova Gears effortlessly applies the methods and formulas you provide, presenting the results in comprehensive reports.
Experience the flexibility, seamless integration with your existing architecture, and the customizable nature of Mnova Gears. Like Mnova, it remains vendor-neutral, adapting to your unique requirements. Elevate your analytical data processes—automate with Mnova Gears!
<img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Mestrelab_Research_Mnova_Gears_Design_your_data_workflows_and_let_Mgears_do_the_rest_5771003702.jpg" alt="Mestrelab Research: Mnova Gears - Design your data workflows and let Mgears do the rest!"/>
<blockquote>
<h4><a href="http://www2.mestrelab.com/l/271522/2024-03-25/3nwsl4">Visit MestreLab Research Mnova Gears product page to learn more!</a></h4>
</blockquote>
<h4>What’s new in Mnova Gears 2.5?</h4>
Mnova Gears 2.5 has been released with Mnova 15 introducing a range of new capabilities:
<ul>
<li>New file copy option that copies the input files to the output folder without the need to open, process, or analyze them.</li>
<li>Ability to add chromatogram blind regions.</li>
<li>Improved data selection and auto-detection.</li>
<li>Capability to manage input data organized in multiple subfolders and generate sorted reports for each subfolder.</li>
<li>Heat map data visualization.</li>
<li>And other improvements that you can check in the complete changelog.</li>
</ul>
Upgrade to Mgears 2.5 now to explore these features and to unlock the full potential of data automation.
Also be sure you check our newest Mgears brick designed for <a href="http://www2.mestrelab.com/l/271522/2024-03-25/3nwskt">Affinity Selection Mass Spectrometry</a> analyses.
<img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Mestrelab_Research_Mnova_Gears_Increase_your_efficiency_using_automated_analysis_workflows_c9d3fb13e6.jpg" alt="Mestrelab Research: Mnova Gears - Increase your efficiency using automated analysis workflows!"/>
<h3>Mnova Gears products and how they relate to one another!</h3>
<h4><a href="http://www2.mestrelab.com/l/271522/2024-03-25/3nwsl4">Mnova Gears</a></h4>
<ul>
<li>Automation of multiple sample analysis </li>
<li>Batch and real time mode to generate documents for analysis</li>
</ul>
<h4><a href="http://www2.mestrelab.com/l/271522/2020-10-22/25htxg">Mnova MyGears</a></h4>
<ul>
<li>Automation of single sample analysis</li>
<li>Automation workflows on an open Mnova document</li>
</ul>
<h4><a href="http://www2.mestrelab.com/l/271522/2024-04-10/3p2gsd">Mnova Gears Bricks</a></h4>
<ul>
<li>Build automation workflows using the following Gears bricks</li>
</ul>
<img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Mestrelab_Research_Mnova_Gears_1_b99a72ab8c.jpg" alt="Mestrelab Research: Mnova Gears products and how they relate to one another."/>
<blockquote>
<h4>Want to run a 45-day FREE trial?</h4>
<h4><a href="http://www2.mestrelab.com/l/271522/2024-04-10/3p2gsh">CONTACT AN EXPERT</a></h4>
</blockquote>
<h3>Intuitive 5-Step workflow!</h3>
<img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Mestrelab_Research_Mnova_Gears_Intuitive_5_Step_workflow_9191e59a96.jpg" alt="Mestrelab Research: Mnova Gears - Intuitive 5-Step workflow."/>
<h4>Mnova Gears Benefits</h4>
<ul>
<li>Automate routine processes and workflows, saving valuable specialist time.</li>
<li>Create and manage end-to-end workflows seamlessly within a single tool.</li>
<li>Streamline multiple analytical workflows on a common, user-friendly platform.</li>
<li>Customize workflows by selecting components tailored to specific needs.</li>
<li>Enjoy flexibility and configurability, allowing seamless integration with existing infrastructure.</li>
<li>Collaborate with different systems in an unified environment due to vendor independence.</li>
<li>Leverage the familiarity with the Mnova interface to deploy and adopt automation solutions by your team without an extensive learning curve.</li>
<li>Benefit from expedited product support and development, consolidating all your automation analyses in one software suite.</li>
</ul>
<img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Mestrelab_Research_Mnova_Gears_Mnova_Gears_Benefits_3186347cb7.jpg" alt="Mestrelab Research: Mnova Gears - Mnova Gears Benefits"/>
<h4>Mnova Gears Features</h4>
<h5>Powerful Automation Capabilities for Comprehensive Data Tasks</h5>
<ul>
<li>A user-friendly platform equipped with all essential controls for customizing data processes, covering input data, processing and analysis methods, design, and output generation.</li>
<li>A wide array of default features and options is available to maximize adaptation to customer needs.</li>
<li>Acceptance of templates and scripts for further customization; you can even construct your own automation bricks using scripting.</li>
<li>Details of your customization are stored in a settings file, easily shareable and importable.</li>
</ul>
<h5>Automatic Reporting and Archiving</h5>
<ul>
<li>Diverse output formats, including CSV, PDF, HTML, JSON, and Mnova formats.</li>
<li>Seamless adaptation to data organization standards by specifying requirements for correct data archiving (in a folder, database, ELN, etc.).</li>
<li>Easy workflows to automatically update historic data to new standards, ensuring consistency across years and sites.</li>
<li>Continuous support and updates: Contact the support team for specific import/export format requests.</li>
</ul>
<h5>A User-Friendly Result Viewer with Graphical Dashboards for Rapid and Easy Data Review</h5>
<ul>
<li>Effortless exploration of results with the Mgears Results Viewer, featuring graphical dashboards.</li>
<li>At-a-glance and by-exception reviews for quick and effective data analysis.</li>
<li>Smooth navigation through sample lists or well plates, facilitating the review of data and analyzed spectra.</li>
<li>Identification of samples not meeting specifications using graphics and warning flags, saving time on extensive scrutiny.</li>
<li>Swift recalculations and result updates.</li>
</ul>
<h4>Multi-Technique and Multi-Application Analytical Workflows</h4>
<ul>
<li>Multiple techniques supported: NMR, LC-MS, GC-MS, Chromatography, etc.</li>
<li>Mnova Gears has already proven its prowess with a broad range of applications spanning from discovery, R&amp;D, to manufacturing and quality control.</li>
<li>Available applications include structure verification, purity determination, mixture analysis, chemical reaction optimization, and affinity selection mass spectrometry analysis. Explore the <a href="http://www2.mestrelab.com/l/271522/2024-04-10/3p2gsd">full list of applications</a> for comprehensive coverage.</li>
</ul>
<h3>Markets</h3>
<h5>Academic, Government &amp; Industrial</h5>
<h4>PRACTICAL APPLICATIONS</h4>
<ul>
<li>Quality Control (NMR, Mass Spectrometry, etc)</li>
<li>Natural Product Dereplication by NMR</li>
<li>Reaction Monitoring by NMR</li>
<li>Quantitative NMR</li>
<li>Targeted mixtures analysis by NMR</li>
<li>Multi-technique reporting</li>
<li>Protein-ligand Interaction</li>
<li>Product ID confirmation</li>
<li>Structure verification</li>
<li>DNA Profiling by LCMS</li>
<li>Ligand-based drug screenings</li>
<li>Reaction Optimization (HTE)</li>
<li>Determination of solubility, lipophilicity</li>
<li>System Suitability testing (NMR, LCMS)</li>
<li>Compound separation and purification workflows</li>
</ul>

Mestrelab USP-ID software

USP-ID software combines high-quality chemical reference databases with smart algorithms for one-click, automated solutions by qNMR, giving scientists the tools to identify and quantify complex chemical mixtures.

<h3>Powerful qNMR analysis made easy</h3>
USP-ID software combines high-quality chemical reference databases with smart algorithms for one-click, automated solutions by qNMR, giving scientists the tools to identify and quantify complex chemical mixtures.
<blockquote>
<h3><a href="http://www2.mestrelab.com/l/271522/2024-03-25/3nwsnf">Visit MestreLab Research USP-ID software product page to learn more!</a></h3>
</blockquote>
<h4>Benefits of USP-ID</h4>
<ul>
<li>Easily identify chemicals and impurities – USP-ID automatically identifies, quantifies and labels a broad range of chemical components in complex mixtures. With just 10 minutes of video training NMR becomes more approachable to all.</li>
<li>Resolve overlapping peaks – Improve spectral interpretability with quantum-mechanical models based on USP reference standards and smart analytics. Identify and quantify chemicals, even when no single signal is distinct.</li>
<li>Customize your databases locally – Leverage USP-ID automation capabilities with drop-in support for models and databases that users create and own. USP can support with custom model development.</li>
</ul>
To learn more about NMR specifications compatible with USP-ID, <a href="https://go.usp.org/usp-id-factsheet">download the datasheet now</a>.
<img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Mestrelab_Research_Mestrelab_USP_ID_software_1_0ba1eed579.jpg" alt="Mestrelab Research: Mestrelab USP-ID software: (1) Automatic Chemical ID, (2) Detect Impurities, (3) Automatic Quantitation, (4) Report Generator, (5) Customizable Libraries, (6) Information Workspace, (7) Automatic Peak Labeling, (8) Multi-library analysis, (9) Selectable analytical methods."/>
<h4>Features include:</h4>
<ul>
<li>Automatic Chemical ID – The Confirm ID workspace enables automatic chemical identification by allowing users to screen samples against a broad library of references. Both targeted workflows where desired chemical references are selected by the user and non-targeted where no references are pre-selected by the user are supported.</li>
<li>Find Impurities – Find Impurities eliminates manual spectral impurity scans by identifying and labeling signals that do not correspond to a confirmed chemical. Select a signal in the Find Impurities workspace to have it highlighted in the spectral viewer for guided spectral review.</li>
<li>Automatic Quantitation – Determine quantities eliminates time consuming, manual integration of signals and enables fast quantification based on all matched signals by comparison to an internal standard of known concentration.</li>
<li>Report Generator – Generate shareable PDF reports that detail the reproducible analysis steps and results. Reports contain relevant tables of matched compounds and purity values.</li>
<li>Customizable Libraries – Custom Libraries are kept only on the local PC and can be used for the full range of automated NMR data analysis workflows. Drop in new custom libraries or models in the library manager.</li>
<li>Information Workspace – See current analysis results from Confirm ID, Find Impurities, and Determine Quantities in the information workspace found underneath the spectral viewer.</li>
<li>Automatic Peak Labeling – After Confirm ID runs, all identified peaks are automatically matched to compounds and labeled in the spectral viewer, making results easier to verify and share.</li>
<li>Multi-library analysis – Select one or multiple libraries for non-targeted spectral analysis. Confirm ID can search multiple libraries simultaneously for matching compounds, including custom libraries kept only on the local PC.</li>
<li>Selectable analytical methods – Different analysis methods are available for automatic chemical identification and can be selected from a dropdown in the information workspace. Users can modify and save analysis methods for future use.</li>
</ul>
USP-ID can be used with USP’s recently revised and published USP quality standards that facilitate the use of nuclear magnetic resonance (NMR) and quantitative NMR as analytical techniques, including for the control of impurities. These standards incude: USP-NF General Chapters <a href="https://online.uspnf.com/uspnf/current-document/1_GUID-B980A615-B451-42FF-AC40-4CB8B64163E3_4_en-US">Nuclear Magnetic Resonance Spectroscopy</a>, and <a href="https://online.uspnf.com/uspnf/current-document/1_GUID-D84DE004-6D63-48D4-BC58-90A1830C5484_1_en-US">Applications of Nuclear Magnetic Resonance Spectroscopy</a>. To further support stakeholder adoption of NMR and qNMR, USP Education offers <a href="https://uspharmacopeia.csod.com/catalog/CustomPage.aspx?id=221000380">free training and courses</a>, including “Drug Quality Control Applications for qNMR.”
The integration of USP-ID into Mnova does not imply approval, endorsement, or certification by USP of Mestrelab products, nor does it imply that any other brand or product was judged to be unsatisfactory or inadequate. As a standard setting organization, USP avoids providing endorsements that create conflicts of interest that interfere or appear to interfere with its impartiality and objectivity.

Mestrelab qNMR plugin for Mnova software 

Quantitative NMR analysis made easy! A dedicated workflow developed to streamline qNMR.

<h3>Quantitative NMR analysis made easy!</h3>
A wide range of analysis types, from manual to assisted or fully automated batch processing, for all your qNMR concentration and purity determinations.
<h3>A dedicated workflow developed to streamline qNMR!</h3>
Dealing with big batches of samples routinely? Automate your Purity and Concentration data workflows from end to end with our dedicated Mnova Gears solutions. Please check <a href="https://mestrelab.com/software/mnova-gears-purity/">Gears Purity</a> and <a href="https://mestrelab.com/software/mnova-gears-concentration/">Gears Concentration</a> for more information.
<blockquote>
<h3><a href="http://www2.mestrelab.com/l/271522/2024-05-02/3p9fs2">Visit MestreLab Research qNMR product page to learn more!</a></h3>
</blockquote>
Mnova qNMR is FREE FOR ACADEMIC LICENSES with an Mnova NMR license.
<img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Mestrelab_Research_Mestrelab_q_NMR_plugin_for_Mnova_software_Wide_range_of_quantitative_analysis_from_manual_analysis_to_assisted_automated_batch_processing_ac555ce417.jpg" alt="Mestrelab Research: Mestrelab qNMR plugin for Mnova software - Wide range of quantitative analysis from manual analysis to assisted automated batch processing."/>
<h3>What’s new in Mnova qNMR 3.2?</h3>
The new version of this qNMR plugin has been released with Mnova 14.3.2 and brings a number improvements together with its related Gears automation workflows listed below:
<h4>qNMR:</h4>
<ul>
<li>Updated parameter names for References to enhance user-friendliness: Reference, Reference Name, and RN</li>
</ul>
<h4>Gears Purity:</h4>
<ul>
<li>Additional methods for extracting molecular weight<ul>
<li>From the molecule in the document, if it exists</li>
<li>From the SMILES text in the parameters table, if it exists</li>
<li>From “MW” or “Molecular Weight” fields in the parameters, if they exist</li>
</ul>
</li>
</ul>
<h4>Gears Concentration:</h4>
<ul>
<li>Increased reporting choices available</li>
<li>Added units to the average concentration and CCF values in the report</li>
<li>Reconfigured the settings layout dialogue to enhance visualization</li>
</ul>
<h3>qNMR Highlights</h3>
<ul>
<li>Works on the basis of identified multiplets for a compound, and the number of Hs for each.</li>
<li>A “response factor” is determined for a particular instrument and experimental setup, and is used without further reference.</li>
<li>Automatic detection of all peaks to be excluded from the analysis: residual protic solvent, water, impurities.</li>
<li>Save and reuse optimized analysis parameters.</li>
<li>Easily manage replicate samples.</li>
<li>Validated against a dataset that was analysed by hand, by an expert.</li>
<li>For purity, input data for your own certified reference standard compounds.</li>
<li>Define a Standard Operating Procedure (SOP) that can be used by others.</li>
</ul>
<h3>qNMR Features</h3>
<h4>CONFIGURE THE CONCENTRATION DETERMINATION METHOD</h4>
Configure the concentration determination method to use a “concentration conversion factor” (CCF), an artificial signal, or the residual solvent signal. If necessary, automatically compensate for changes in the receiver gain or number of scans.
<img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Mestrelab_Research_Mestrelab_q_NMR_plugin_for_Mnova_software_CONFIGURE_THE_CONCENTRATION_DETERMINATION_METHOD_a2dfaad039.jpg" alt="Mestrelab Research: Mestrelab qNMR plugin for Mnova software - Configure the concentration determination method"/>
<h4>PURITY DETERMINATIONS</h4>
This module uses the Concentration “engine”, and therefore has all its features. However, this capability has been built to make NMR “Purity” (a.k.a. “Potency”) measurements simple and accurate. As an aside, the same basic functionality can be used to measure salt ratios, and solvent contamination levels.
<img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Mestrelab_Research_Mestrelab_q_NMR_plugin_for_Mnova_software_PURITY_DETERMINATIONS_60305d42b5.jpg" alt="Mestrelab Research: Mestrelab qNMR plugin for Mnova software - Purity determinations"/>
<h4>‘ONE CLICK’ Q-NMR (PURITY)</h4>
Optimised tool to obtain your Purity results in one single click using the ‘Advised Analysis’ button. This feature firstly will find your parameters (molecular weight, sample weight, reference compound etc.) Then it will apply optimized settings to carry out the NMR analysis and finally calculate your compounds purity.
<img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Mestrelab_Research_Mestrelab_q_NMR_plugin_for_Mnova_software_ONE_CLICK_Q_NMR_PURITY_75b5ff015c.jpg" alt="Mestrelab Research: Mestrelab qNMR plugin for Mnova software - ‘One click’ q-NMR (purity)"/>
<h4>ASSISTED BY STANDARDIZED OPERATIONS</h4>
By saving a procedure, easily work with repetitions, or create a SOP for others to always use. The automatic multiplet selection can make the analysis so simple that the hardest task is entering relevant sample-to-sample specific details!
<img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Mestrelab_Research_Mestrelab_q_NMR_plugin_for_Mnova_software_ASSISTED_BY_STANDARDIZED_OPERATIONS_83ce2ffffe.jpg" alt="Mestrelab Research: Mestrelab qNMR plugin for Mnova software - Assisted by standardized operations"/>
<h3>qNMR Users</h3>
<ul>
<li>Active Pharmaceutical Ingredients (APIs)</li>
<li>Drug analysis</li>
<li>Natural products</li>
<li>Pharmaceutical compound libraries</li>
<li>Forensic analysis</li>
<li>Food sciences and many more!</li>
</ul>
<img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Mestrelab_Research_Mestrelab_q_NMR_plugin_for_Mnova_software_q_NMR_Users_e75d3ba308.jpg" alt="Mestrelab Research: Mestrelab qNMR plugin for Mnova software - qNMR Users."/>
<h3>Case Studies</h3>
<h4><a href="https://mestrelab.com/automated-qnmr-data-processing-and-analysis-in-the-behind-the-scenes-of-fragment-based-drug-discovery-case-study/">Automated qNMR data processing and analysis in the behind the scenes of fragment-based drug discovery</a></h4>
Bringing new drugs into the market is a long, complex process that often requires several years of investigation and considerable human, technological, and economic resources. In the labs of the Cancer Research UK Cancer Therapeutics Unit at The Institute of Cancer Research, London, a Fragment-Based Drug Discovery (FBDD) program has been established for screening and identifying lead compounds with potential therapeutic effects that may serve as starting points for the development of potent drug candidates… <a href="https://mestrelab.com/automated-qnmr-data-processing-and-analysis-in-the-behind-the-scenes-of-fragment-based-drug-discovery-case-study/">Continue reading</a>

Mestrelab NMR Predict plugin for Mnova software

 Accurate prediction of ¹H and ¹³C NMR spectra from a chemical structure. Mnova NMR Predict calculates accurate and precise NMR chemical shifts.

<h3>Accurate prediction of ¹H and ¹³C NMR spectra from a chemical structure.</h3>
<blockquote>
<h3><a href="http://www2.mestrelab.com/l/271522/2024-05-02/3p9fry">Visit MestreLab Research NMR Predict product page to learn more!</a></h3>
</blockquote>
Mnova NMR Predict calculates accurate and precise NMR chemical shifts using a novel procedure that combines several prediction engines in a constructive way. This method is called Ensemble NMR Prediction and uses several Machine Learning methods in combination with the well-knonwn Increments and HOSE-code algorithms developed by Modgraph Consultants. Prediction of chemical shifts of other nuclides is also available.
To complement the article about Ensemble NMR Prediction you can also read a blog post about ¹H data <a href="http://nmr-analysis.blogspot.com/2019/05/1h-nmr-prediction-unity-creates-strength.html">here</a>.
<img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Mestrelab_Research_Mestrelab_NMR_Predict_plugin_for_Mnova_software_Easily_combine_and_compare_experimental_and_predicted_data_as_part_of_your_workflow_1_d382f3c286.jpg" alt="Mestrelab Research: Mestrelab NMR Predict plugin for Mnova software - Easily combine and compare experimental and predicted data as part of your workflow."/>
<img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Mestrelab_Research_Mestrelab_NMR_Predict_plugin_for_Mnova_software_Easily_combine_and_compare_experimental_and_predicted_data_as_part_of_your_workflow_2_54bdb23368.jpg" alt="Mestrelab Research: Mestrelab NMR Predict plugin for Mnova software - Easily combine and compare experimental and predicted data as part of your workflow."/>
<h4>NMR Predict Highlights</h4>
<ul>
<li>Compute and display accurate chemical shifts for ¹H, ¹³C, and other nuclides (¹¹B, ¹⁵N,¹⁷O, ¹⁹F, ²⁹Si, ³¹P) as well as J(HH), J(HF), J(HP), J(CF) and J(CP).</li>
<li>Predicted ¹H-NMR spectra are synthesized using a rigorous quantum mechanism approach that takes into account strong coupling effects.</li>
<li>If the experimental spectrum is available, prediction will use the same experimental conditions (e.g. solvent and spectral properties: spectral width, spectrometer frequency, chemical shift reference, digital number of points, etc.)</li>
<li>Train your predictions by building your NMR databases from already assigned molecular structures.</li>
<li>Ability to drill-down user assigned ¹H and ¹³C experimental data.</li>
<li>Each predicted value is accompanied by its confidence interval.</li>
</ul>
<img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Mestrelab_Research_Mestrelab_NMR_Predict_plugin_for_Mnova_software_Make_better_decisions_for_your_spectra_faster_80045b0ee3.jpg" alt="Mestrelab Research: Mestrelab NMR Predict plugin for Mnova software - Make better decisions for your spectra faster!"/>
<h3>Markets</h3>
<h4>Academic, Government &amp; Industrial</h4>
<ul>
<li>Pharmaceutical, chemical and food industries and QC environments</li>
<li>Research and NMR teaching in Academia</li>
<li>Suitable for individual users, research groups as well as large institutions and companies</li>
</ul>
<img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Mestrelab_Research_Mestrelab_NMR_Predict_plugin_for_Mnova_software_Users_932a7dd0ef.jpg" alt="Mestrelab Research: Mestrelab NMR Predict plugin for Mnova software - Users."/>

DataApex Clarity Chromatography Software

Clarity is a chromatography data software for data acquisition, processing, and instrument control in regulated environment. Clarity is a flexible solution for devices from different vendors, supporting different applications.

Optional control modules provide integrated control of selected instruments such as GCs, LCs, pumps, detectors, autosamplers, etc. Extensions provide functions for specific separation techniques or calculations such as PDA, GPC analysis, Mass spectrometry, or SST. Clarity can run in English, French, German, Russian, Spanish, and Chinese language. Support technicians and developers are close to their users and ready to provide extensive Support from DataApex.
<blockquote>
Ask for <a href="https://www.dataapex.com/product/clarity-demo">Clarity Demo version</a> which allows you to get your hands on software before purchase
</blockquote>
<h3>Main features</h3>
<ul>
<li>Measuring: Simultaneous data acquisition from up to four independent chromatographs, each chromatograph can acquire data from up to 32 detectors.
</li>
<li>Integration: There is an extensive possibility to modify chromatograms. The chromatogram can be changed by entering global parameters or interactively through direct graphic modification of the baseline.
</li>
<li>Overlay: Simultaneously displays a virtually unlimited number of chromatograms and their mathematical modification; for example, mutual deductions or derivations of any order.
</li>
<li>Calibration: Internal and external standard calculation methods, calibration of groups of peaks, and reference peaks method for better identification.
</li>
<li>Wide range of supported instruments: Control modules in Clarity allow users to control various instruments in their lab. See our growing <a href="https://www.dataapex.com/controls">List of supported instruments</a>.
</li>
<li>Extensions completing your workflow: Clarity Extensions integrates your workflow into one application. GPC calculations, PDA data processing, gas or detailed hydrocarbon analyses according to selected norms, and much more.
</li>
<li>Automated measuring support: Sequence tables for any set of samples with or without an autosampler.
</li>
<li>Postrun: Automatically displays, prints, exports, and starts other programs after the completion of a measurement.
</li>
<li>Summary result tables: Displays and prints selected results from all simultaneously displayed chromatograms.
</li>
<li>User settings: User selects parameters for peak display and the specification for axes, including color from an extensive array of color settings. Text labels and lines, either as part of the area or anchored to a chromatogram, may also be inserted.
</li>
<li>Export: Optional exportation of all results, with or without the chromatogram, in various formats, into a file or clipboard.
</li>
<li>Import: Imports chromatograms or mathematical curves, which have been saved in text or AIA formats, from other programs.
</li>
<li>LIMS: Clarity offers connectivity with LIMS, both for sample submission and result output. This can be done via convenient ASCII transfers.
</li>
<li>Method and calibration history: Each chromatogram can easily be displayed under the same conditions as when it was printed, exported, or saved.
</li>
<li>Column performance: Calculations of peaks in terms of symmetry, efficiency, resolution; all by several methods (tangent, moments, etc.).
</li>
<li>Batch: Automatically batch processes, displays, exports, or prints any number of chromatograms.
</li>
<li>User calculations: Users can define custom calculations in the Result and Summary tables. Using the integrated editor, you can create your own columns from original columns and individual mathematical functions.
</li>
<li>User accounts: Sets up access rights and passwords (including their parameters, e.g., minimum length, validity, etc.). Each user can define his or her own appearance of the software.
</li>
<li>Audit trail: Records selected events and operations into a special file. Records selected operations directly into a chromatogram.
</li>
<li>Electronic signature: Each chromatogram can be signed electronically. Signature selection is based on the username or the signature certificate.
</li>
<li>Networked Solution: Clarity chromatography software files can be accessed from networked computers using Clarity Offline software. This enables the offline evaluation of chromatograms, development of new methods, and printing reports. See the <a href="https://gcms.labrulez.com/products/1000">Clarity Offline</a> for more details.
</li>
<li>Language Localizations available: Useful for non-English speakers. At the moment, there are French, German, Russian, Spanish, and Chinese localizations available in a single installation package. Simply switch to your preferred language anytime.
</li>
<li>Competitive approach: The chromatography market offers many specialized HPLC data systems or GC data systems; these are often provided with the purchased instrument. It is usually complicated to integrate such software into the workflow of the laboratory since they do not enable direct control of additional instruments. Compared to other small-scale solutions, Clarity offers a wide range of directly controlled instruments as well as optional Extensions for specific separation techniques. On the other hand, complex solutions with a wide scope of features and scalable design are quite expensive, which is a limiting factor for many customers. Another drawback of the large solutions is their complexity which imposes high demands on users. Compared to this, Clarity represents a scalable medium-ranged solution with a steep learning curve and competitive prices.
</li>
</ul>
<h3>Clarity configurations examples</h3>
<h4>One chromatograph with two detectors</h4>
<img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Data_Apex_Clarity_Chromatograficky_Software_Clarity_configurations_examples_One_chromatograph_with_two_detectors_ae482b83b8/DataApex-Clarity-Chromatograficky-Software-Clarity-configurations-examples-One-chromatograph-with-two-detectors.jpg" alt="DataApex Clarity Chromatography Software: Clarity configurations examples - One chromatograph with two detectors.jpg"/>
<ul>
<li>The HPLC measures on two detectors. Clarity will acquire two separate signals sharing a common timebase (synchronized START/STOP). A resulting chromatogram will contain two signals.</li>
</ul>
<h4>Two chromatographs, one with multiple detectors</h4>
<img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Data_Apex_Clarity_Chromatograficky_Software_Clarity_configurations_examples_Two_chromatographs_one_with_multiple_detectors_b21dc07faf/DataApex-Clarity-Chromatograficky-Software-Clarity-configurations-examples-Two-chromatographs-one-with-multiple-detectors.jpg" alt="DataApex Clarity Chromatography Software: Clarity configurations examples - Two chromatographs, one with multiple detectors.jpg"/>
<ul>
<li>This example displays a configuration with two chromatography systems (GC + HPLC) where the HPLC system uses multiple detectors. All the detectors attached to the HPLC Instrument will share common timebase (synchronized START/STOP). The GC detector will be independent.</li>
</ul>
<h4>Two chromatographs, one digital control</h4>
<img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Data_Apex_Clarity_Chromatograficky_Software_Clarity_configurations_examples_Two_chromatographs_one_digital_control_1bf9cec334/DataApex-Clarity-Chromatograficky-Software-Clarity-configurations-examples-Two-chromatographs-one-digital-control.jpg" alt="DataApex Clarity Chromatography Software: Clarity configurations examples - Two chromatographs, one digital control.jpg"/> This example displays a configuration with two chromatography systems (GC + LC). The GC is connected and controlled via digital interface *, using a GC Control appropriate module.
<h4>Four chromatographs with autosampler each</h4>
<img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Data_Apex_Clarity_Chromatograficky_Software_Clarity_configurations_examples_Four_chromatographs_with_autosampler_each_945873d808/DataApex-Clarity-Chromatograficky-Software-Clarity-configurations-examples-Four-chromatographs-with-autosampler-each.jpg" alt="DataApex Clarity Chromatography Software: Clarity configurations examples - Four chromatographs with autosampler each.jpg"/>
<ul>
<li>This example displays a configuration with two chromatography systems (GC + LC). The GC is connected and controlled via digital interface *, using a GC Control appropriate module.</li>
</ul>
<a href="https://www.dataapex.com/controls">List of supported instruments</a>
<a href="https://www.dataapex.com/product/clarity-std-compatibility">Compatible Windows OS and Hardware</a>
<a href="https://www.dataapex.com/product/clarity-21cfr-compliance">Clarity 21 CFR Part 11 compliance</a>

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