Learn

This page explains how to use PlotPie to process and visualize NMR spectra.

Session

Before uploading data, a session must be opened (top right corner). The session creates a temporary workspace where uploaded files are processed and stored during use. Sessions are temporary and must be closed after use — all data is discarded when the session ends.

Upload

• Only Bruker datasets are supported
• Only 1H-NMR datasets are supported
• The dataset must be uploaded as a ZIP archive
• The ZIP file should contain the original Bruker folder structure

The uploaded archive is automatically extracted by the application.

File Naming

Please use simple file names without spaces or special characters, as these may cause issues during processing. Recommended format:

• butyl_phenyl_ether.zip
• sample_1.zip

Avoid names such as:

• butyl phenyl ether.zip
• butyl-phenyl-ether (final).zip
• sample#1.zip

Processing

Select your file by clicking the plot icon to view the raw FID. You can zoom in by adjusting the axis fields and download the figure as SVG. Click the plot icon again to view the frequency-domain spectrum.

Downloading

To download the FID or the final spectrum, click the download icon.

Apply Changes

To submit the form (e.g. when changing the axis range), press Enter.

Phase Correction

After the FFT, the spectrum may appear distorted. Use the phase correction controls to fix this:

• P0 — zero-order phase correction: applies a constant phase shift across the whole spectrum
• P1 — first-order phase correction: applies a phase shift that varies linearly across the spectrum

Adjust P0 and P1 until the peaks appear symmetric and upright (pure absorption mode).

Axis

Use the X-Min / X-Max and Y-Min / Y-Max fields to zoom into a region of interest.

Peak Detection

PlotPie can automatically detect peaks in the spectrum.

• Threshold — sets the minimum intensity required for peak detection
• Eye — toggles the threshold line on the plot

Adjust the threshold to filter out noise and focus on real peaks.

Peak List

Shows all peaks detected by the algorithm.

• Zoom in by clicking the zoom icon
• Remove a peak by clicking the trashcan icon
• Reset the entire list by clicking the circle icon

Integration

• Start — the left boundary of the integration region
• End — the right boundary of the integration region

Integral List

Shows all selected integration regions.

• Remove a integral by clicking the trashcan icon
• Reset the entire list by clicking the circle icon