What’s new in SMA 2.0

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SMA (Simple Mixtures Analysis) is only “simple” by name! With Version 2, we provide make it much simpler to specify equations for compounds. Most importantly, the concentration or purity equations can be automatically determined by the software. In addition to making the SMA experiment more easily specified, this makes it much easier to review the results for each individual component, and make changes if needed.

Improved interface

Improvements on the interface makes much easier to use the software interactively.

Simpler equations

Several new features have been added to simplify the use of equations to specify components. You can now specify all the integral ranges for a component, and select the ones you want SMA to use.

Automatic equation generator

When you are creating an experiment, SMA can automatically generate the Concentration or Purity equation for you. Choose the multiplets/ranges you want to use and SMA will adjust the equation to calculate an average value for the normalized areas.

Visual inspection of results, one compound at a time

Visually inspect the integral regions for a compound: change integral limits or even remove a range for the mixture analysis. The equations will be automatically changed, and the best analysis can be confidently assured quickly and accurately.

SMA Assistant – create experiments “on the fly”

Building new analyses “on the fly” with Mnova Database (DB) integrated is very simple.

Import chemical shift ranges, number of nuclides and molecular weight in one click from your Mnova Database.

When a standard analysis such as concentration or purity determination is required for varying mixtures, SMA can be quickly put to work. A mixture spectrum can be searched against a DB with spectra of potential components to help identify potential components. Visual inspection then is used to refine the real components.

Finally, an SMA experiment, complete with imported chemical shift ranges and standard equations, can be built with a single button click.

The ultimate targeted analysis tool for NMR!

SMA has unique features that allow you to extend the possible use of targeted NMR analysis. Use 1D, 2D data – or both – to extract data for each and every component in a more complex mixture. The versatile Equation Editor not only gives you complete control over the analysis of each integral region, but results from previous calculations for a mixture can be used in a new equation. This capability is especially useful for empirical equations used for edible oil analysis. Store sample-specific parameters such as compound mass with your data, and SMA can retrieve it.

Finally, you have all Mnova capabilities at your fingertips. Critically, any integration methods can be used, including our latest, industry-leading qGSD capability.

 

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Enrique Sánchez

Scientific Content Editor in Mestrelab Research S.L. Read his profile here.

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