Discover the optimal trend in your spectroscopic data! Follow a chemical reaction or similar laboratory process using spectroscopic methods.

Take a series of spectra and analyze the trends of paticular peaks or other characteristic properties derived from all recorded spectra.

Trends are displayed as graph and tabulated values with additional statistical information like the best polynomial fit function and regression coefficient. Spectra and the region of interest are shown either as 2D spectral overlay or 3D plot.

Trend analysis can be either performed online while a reaction is running or offline using a series of already recorded spectra. You may play different what-if scenarios by adapting analysis parameters to find the best fit for your analytical problem.

Trend analysis parameters can also be updated while running a reaction and during acquisition of new spectra with your instrument. This gives you optimal flexibility to follow your process. 

You have an instrument or spectrometer? You like to measure spectra directly from our software?
You need our Gadget add-on module.
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Features

• Wizard guided reaction template creation
  A wizard helps you to setup a reaction and required trends. A reaction template is created which might be optimized while running a reaction.
• Convenient and intuitive routine and expert user interface
  The expert mode is ideal to create a reaction template and try out different what-if scenarios. Once the reaction template is ready you may switch to routine mode to simply apply the settings to the next reaction. You no longer see all teh features of the software, but only those required for running the reaction.
• Interactive and real time parameter customization 
  Trend parameters can be adapted in real time to give you direct response while runnung the reaction. You may even add new trends or remove trends. This is a feature of the expert mode.
• Trends and acquired spectra are shown in a multi view window to provide you the best overview over your reaction. Spectra are displayed as 2D and 3D plot.
• A comprehensive report contains all trend results including statistical evaluation results.

Trend functions

Various evaluation methods are available to create trends like

• Intensity at a particular position in your spectrum
• Intensity ratio of two different positions in your spectrum
• Peak characteristics like height, absolute height or peak area
• Ratio of two peaks
• Custom evaluation formula using spectral parameters and other numerical information attached to the spectra as labels
• Chemometric methods described in the Quantify add-on module like multivariate calibrations (PLS-1, PLS-2, PCR, MLR, etc...) to predict spectral or product properties
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