https://github.com/radi0sus/advanced_raman_tl

Web app for baseline correction, smoothing, processing and plotting of Raman spectra
https://github.com/radi0sus/advanced_raman_tl

arpls baseline data-analysis elabftw manipulation overlay pdf peak-detection png python raman raman-spectra raman-spectroscopy savitzky-golay-filter smoothing spectrum streamlit upload webapp whittaker-smoothing

Last synced: 29 days ago
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Web app for baseline correction, smoothing, processing and plotting of Raman spectra

• Host: GitHub
• URL: https://github.com/radi0sus/advanced_raman_tl
• Owner: radi0sus
• License: bsd-3-clause
• Created: 2026-04-25T16:17:09.000Z (2 months ago)
• Default Branch: main
• Last Pushed: 2026-05-02T17:02:29.000Z (2 months ago)
• Last Synced: 2026-05-02T19:06:39.994Z (2 months ago)
• Topics: arpls, baseline, data-analysis, elabftw, manipulation, overlay, pdf, peak-detection, png, python, raman, raman-spectra, raman-spectroscopy, savitzky-golay-filter, smoothing, spectrum, streamlit, upload, webapp, whittaker-smoothing
• Language: Python
• Homepage: https://advancedramantl-nfvgsz7dquxrmtk6xvc9hq.streamlit.app
• Size: 90.8 KB
• Stars: 0
• Watchers: 0
• Forks: 0
• Open Issues: 0
• Metadata Files:
  • Readme: README.md

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README

          
# Advanced Raman Tool

> [!TIP]

> **Advanced Raman Tool** is available as a web app with interactive plots, direct HORIBA file support, export packages, and optional eLabFTW upload.  

> 👉 Try it here: https://advancedramantl-nfvgsz7dquxrmtk6xvc9hq.streamlit.app  

> 👉 Original CLI tool: https://github.com/radi0sus/raman_tl  

A web-based application for baseline correction, smoothing, processing, visualization, export, and optional eLabFTW upload of Raman spectra.



    



In general, the workflow and processing logic are similar to the original [`raman-tl.py`](https://github.com/radi0sus/raman_tl). For many practical questions, the original documentation is still a useful reference. The main differences are summarized below.

## Main differences compared to `raman-tl.py`

- **Graphical user interface**  

  Processing and display settings can be adjusted interactively in the browser instead of using command-line options.

- **Direct HORIBA LabSpec file support**  

  The app can read:

  - HORIBA LabSpec `.l6s`

  - HORIBA LabSpec `.xml`

  - plain text files (`wavenumber intensity`)

- **Metadata display**  

  Available metadata are shown directly in the app and included in export products where appropriate.

- **Additional baseline correction method: SNIP**  

  In addition to **arPLS**, the app also supports **SNIP** baseline correction.

- **Interactive Plotly visualization**  

  Spectra can be inspected interactively in the browser:

  - zoom and pan

  - show or hide spectra by clicking legend entries

  - isolate one spectrum by double-clicking a legend entry

- **Structured export packages**  

  Instead of writing output files directly into the working directory, the app creates ZIP-based export packages for:

  - the active spectrum

  - selected multi-spectra views

  - the full session

- **eLabFTW upload**  

  Export products can be uploaded directly to an existing **eLabFTW experiment** as attachments.

- **Session-based workflow**  

  The app is designed for interactive work:

  - upload spectra

  - inspect and compare them

  - adjust processing settings

  - export or upload results

## Typical workflow

1. Upload one or more spectra  

2. Select the active spectrum and optional overlay spectra  

3. Adjust:

   - baseline correction

   - smoothing

   - peak detection

   - spectral range

4. Inspect:

   - Single View

   - Overlay Spectra

   - Normalized Overlay

   - Stacked Spectra

5. Export results as ZIP packages  

6. Optionally upload packages to eLabFTW

## Current limitations and recommendations

- **Processing settings are global within a session**  

  Baseline correction, smoothing, peak picking, and spectral range settings currently apply to all spectra in the session.

- **Use moderate numbers of spectra for comparison**  

  It is possible to load and compare more spectra, but for practical use it is recommended to work with no more than about **5–6 spectra at a time**, especially for overlay, normalized overlay, and stacked views.

## Notes

- Manual intensity scaling and x-shifting are useful for visual comparison and alignment, but they can affect interpretation and should be used with care.

- Export and eLabFTW upload both use a two-step workflow:

  1. create the package

  2. download or upload the generated files

## References

### arPLS baseline correction

> Sung-June Baek, Aaron Park, Young-Jin Ahna, Jaebum Choo  

> **Baseline correction using asymmetrically reweighted penalized least squares smoothing**  

> *Analyst* **2015**, *140*, 250–257  

> DOI: https://doi.org/10.1039/C4AN01061B

### SNIP baseline correction

> C. G. Ryan, E. Clayton, W. L. Griffin, S. Sie, D. R. Cousens  

> **SNIP, a statistics-sensitive background treatment for the quantitative analysis of PIXE spectra in geoscience applications**  

> *Nuclear Instruments and Methods in Physics Research Section B* **1988**, *34*, 396–402  

> DOI: https://doi.org/10.1016/0168-583X(88)90063-8

### Whittaker smoothing

> Paul H. C. Eilers  

> **A perfect smoother**  

> *Anal. Chem.* **2003**, *75*, 3631–3636  

> DOI: https://doi.org/10.1021/ac034173t

based on:

> E. T. Whittaker  

> **On a new method of gradutation**  

> *Proceedings of the Edinburgh Mathematical Society* **1922**, *41*, 63–75  

> DOI: https://doi.org/10.1017/S0013091500077853