Delta Tips: Deconvolution Function

  • Summary

NMDT_0059

In Delta software, it is possible to deconvolve overlapping peaks with Lorentzian, Gaussian and a combination of Lorentzian and Gaussian functions.

① Display a spectrum in the 1D Processor or Data Slate window.
② Click the Peak button to activate the peak picking mode.
③ Pick peaks in the spectrum with the cursor indicated by the Peak symbol.
Peak indicators (marks) and chemical shifts of the selected peaks have been displayed below the spectrum.

Delta Tips: Deconvolution Function

If you need to pick up some shoulder or broad overlapping peaks manually, push and hold the Shift key and create the peak.

Delta Tips: Deconvolution Function

④ Push and hold the K menu button to display the pull-down menu.

Delta Tips: Deconvolution Function

⑤ Select a curve fitting function for deconvolution from the menu.
Deconvolution has been executed and the fitting result has been shown on the data.

Delta Tips: Deconvolution Function

Fit Mixed is the Voigt fitting function which is a combination of Lorentzian and Gaussian functions.

The shortcut key is shown for each fitting function on the right.

Delta Tips: Deconvolution Function

It is possible to display or hide the deconvolution result from the context menu as follows:
Push and hold the right mouse button to display the menu. Then select Options – Peaks – Deconvolve and Deconvolve Sum as shown below.

Delta Tips: Deconvolution Function

⑥ Select Analyze-Peak Spreadsheet to open the Spread Sheet window.
The detailed results for all deconvolved peaks have been summarized in the Spread Sheet table.

Delta Tips: Deconvolution Function

The Spread Sheet table

Delta Tips: Deconvolution Function

The result of deconvolution
The Chi square value and the standard deviation value are shown in the Delta Console window.

Delta Tips: Deconvolution Function

Recalculation
It is possible to set and fix the value of X (peak position), Intensity (peak intensity) and X Diam/J (peak half width) in a deconvolution result in the Spread Sheet window and execute deconvolution again.

⑦ Select a cell in the Spread Sheet window.
⑧ Input a value into the Edit Cell box.

Delta Tips: Deconvolution Function

⑨ Push and hold the right-mouse-button over the cell to display the context menu.
⑩ Select Hold from the menu. The chemical shift value in the cell has turned red.

Delta Tips: Deconvolution Function

⑪ Select a curve fitting function from the K menu.
The recalculated result has been shown on the data.

Please see the PDF file for the additional information.
Another window opens when you click.

PDF 681.7 KB

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