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Gears MANIQ

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Automatic NMR identification and quantification

Interpreting NMR data from mixtures is time-consuming, especially with overlapping signals or large sample batches.

MANIQ automates NMR data processing for mixtures and pure compounds. Using robust algorithms, it identifies and quantifies compounds from a reference library, delivering comprehensive information with one click. It can process overlapped NMR peaks in complex samples using customizable analysis methods.

Software Solution for Chemical Reaction Optimization

MANIQ

Benefits

Off-the-shelf solution that can be quickly implemented in your environment and customized to your particular needs, regardless of your NMR instrument vendor or data formats.

Wide range of analysis possibilities thanks to the use of reference libraries that can be changed and adapted for each analysis.

Comprehensive and ready-to-share reports which reduce the time spent on data management.

Enhanced compliance with Gxp and data management standards with minimal effort.

MANIQ

Features

Comprehensive Analysis and Quantification Solutions

  • Flexible compound identification methods, including Direct Peak Search, Cosine Similarity, Pearson Correlation Coefficient, and 13C Analysis, as well as quantification methods such as Integral Transforms and f-Factor, to accommodate diverse scenarios such as mixture samples, overlapping peaks, and shifting peaks.
  • Robust pattern-matching functionality to compare each sample against a reference library.
  • Options for both relative and absolute quantification, with the ability to use internal or external references, including PULCON, for increased versatility.

Effortless and Intuitive Creation of Reference Libraries in Mnova

  • Streamlined and user-friendly process for building a comprehensive reference library, integrating all your reference spectra and molecular structures into an Mnova document.​
  • Automated false positive screening feature within the compound library, ensuring accuracy and reliability of reference spectra and molecular structures.​

Seamless GxP-Compliant Reporting and Enhanced Results Review

  • Effortless generation of GxP-compliant reports, automatically saved at your preferred location upon completion of each analysis.​
  • Color-coded results tables for quick and easy review and decision-making.​
  • Integration with Mgears Viewer for an enhanced and detailed review of results.​
Latest Gears MANIQ news
Webinar-what-can-Mnova-do-for-your-mixtures-analysis

Mixture Analysis in Mnova NMR | Webinar

Dr. Mark Dixon (Mestrelab) gave a webinar on how identification and/or quantification of components of a mixture in solution is a common problem that a chemist must solve on a frequent basis.

Read more
Identification and quantification

Identification and Quantification of compounds with NMR

Mnova offers multiple ways to address the analyses of mixtures when presented in NMR spectra, whether they are targeted or untargeted, and whether they require component identification and/or quantification. The most suitable technique depends upon the application.

Read more
Help & Resources

Guides & Manuals

MANIQ manual Mnova Gears - Manual

Videos

Mixture Analysis in Mnova NMR | Webinar

Resources

Identification and Quantification of compounds with NMR
Academic, Government & Industrial

Target Audience

Analytical Chemists​
Forensic Chemists
Other Mnova Solutions

Related Products

The project is supported by Red.es and co-financed with FEDER funds within the framework of the Pluriregional Operational Program of Spain (POPE) 2014-2020. (El proyecto impulsado por Red.es está cofinanciado con fondos FEDER en el marco del Programa Operativo Plurirregional de España (POPE) 2014-2020). 

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