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How to pick peaks and integrate a spectrum

Select an imported spectrum and choose Analyze spectrum. Press Pick peaks and Integrate; the Peaks and Integrals tabs list the results, and the report line is ready to Copy or Add to page.

On a Mac, Ctrl is Cmd.

Steps

  1. Import the spectrum and select it. See How to import an NMR, IR or mass spectrum.

  2. Press Ctrl+K, type analyze spectrum and press Enter. (With nothing selected the command is dimmed and says "Select a spectrum first".)

    Search everything offering Analyze spectrum: pick peaks, integrate, read multiplets and assign atoms.Search everything offering Analyze spectrum: pick peaks, integrate, read multiplets and assign atoms.

  3. The Analyze spectrum window opens with the spectrum. Press Pick peaks to find the peaks, and Integrate to measure their areas. Clear peaks starts again.

    The Analyze spectrum window with Pick peaks, Integrate, the spectrum, its noise level and the empty report line.The Analyze spectrum window with Pick peaks, Integrate, the spectrum, its noise level and the empty report line.

  4. The Peaks and Integrals tabs list what was found. Under the spectrum, the noise level and how the picks were made are written out: automatic picks stand at least 6 noise widths above their surroundings.

  5. The Report line fills in as you pick and integrate. Press Copy to copy it, or Add to page to place it as text.

NMR and spectraHow to copy NMR data as journal textIn the Predicted NMR window, press Copy as journal text. The data is copied as one line in journal style, for example "¹H NMR (400 MHz, CDCl3, predicted) δ 4.11 (q, J = 7.0 Hz, 2H), ...". Paste it with Ctrl+V.

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Last updated Nov 12, 2026