Export of Results

Once your spectra are aligned and peak matching is complete, SpectraMatcher lets you export your results in formats ready for publication or further analysis.

Export Peak Assignment Table

The table of matched peaks — including intensities, transition labels, and wavenumbers — can be exported in several publication-ready formats:

• .txt (tab-separated plain text) compatible with spreadsheet software and scientific plotting tools

• .docx (Word) for easy insertion into reports or manuscripts

• .tex (LaTeX) for direct inclusion in scientific publications

Choose the format in the drop-down menu in the Match settings panel, then click Copy table to copy the data to your clipboard, ready to paste into your text editor of choice.

💡 The copying functionality uses the clipboard tool installed on your system. On linux, this requires e.g. xclip to be installed — this is done automatically by SpectraMatcher's installation script.

The copied table contains exactly the data visible in the assignment table in SpectraMatcher. The plain-text version is kept minimally formatted, to facilitate further analysis, e.g. in spreadsheet software. The Word and LaTeX tables feature properly aligned columns and math-mode formatting for vibrational mode labels:

Example of the exported LaTeX table as rendered in a document.

💡 Ensure you use \usepackage{booktabs} in your preamble to enable proper formatting of the LaTeX table. Alternatively, replace the \toprule etc. by \hline commands.

Export Vibrational Spectra Data

To export the underlying numerical data of the computed convoluted spectra, open the Composite Spectrum panel, select the spectra you are interested in, and click Copy selected spectra.

This copies the spectra to your clipboard as a table of tab-separated values:

  wn	1st excited state	2nd excited state
-1407	0.000032480408839	0.000000000000000
-1406	0.000032521969516	0.000000000000000
-1405	0.000032563613408	0.000000000000000
-1404	0.000032605340743	0.000083004864619
-1403	0.000032647151750	0.000083079005553
-1402	0.000032689046656	0.000083153252491
-1401	0.000032731025694	0.000083227605648
-1400	0.000032773089094	0.000083302065240
-1399	0.000032815237086	0.000083376631482
-1398	0.000032857469904	0.000083451304590
-1397	0.000032899787782	0.000083526084784
-1396	0.000032942190952	0.000083600972279
...

You can paste this into a spreadsheet, plotting tool, or save it to a .txt file.

Plot Export

The plot can be toggled to light mode (white background) by pressing the ☾ icon in the Plot settings title bar:

To copy this plot, simply take a screenshot.

💡 To screenshot only the plot area, use these tools:

• Windows: Press Win + Shift + S to open the Snipping Tool. The selected region is copied to your clipboard.

• Linux: Press Shift + PrtScrnto select a region of the screen.

• macOS: Press Cmd + Shift + 4 and drag to capture a region. The screenshot is saved to your desktop by default.