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Delta Tips NMDT_0059
Deconvolution Function 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.
② ③ Click
Peak indicators and chemical shifts Peak Picking
★ If you need to pick up some shoulder or broad overlapping peaks manually, push and hold the Shift key and create the peak.
Selected a shoulder peak (create peak anywhere)
［Shift］key Auto Peak Search function OFF
Delta Tips ④ Push and hold the
button to display the pull-down menu.
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.
★ 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.
Green: Original spectrum Red:
Yellow: Deconvolved spectrum
Deconvolution of overlapping peaks
★ 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 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.
★ The Spread Sheet table MD Deconvolution Peak Picking (A： Automatic, M: Manual) Peak position Gauss/Lorentz ratio
Peak half width
★ The result of deconvolution The Chi square value and the standard deviation value are shown in the Delta Console window.
Delta Tips ★ 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. ⑧
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.
⑩ ⑪ Select a curve fitting function from the
The recalculated result has been shown on the data.