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  1. Exercise: Fitting IR spectra - Python in Chemistry

    In this exercise, your will get an introdcution into using Python to fit experimental data, using a process called model-dependent analysis. The specific application will be the anlaysis of an IR spectra from a mixture of organic species, however, hopefully you will recognise that the methods used herein are generalisable.

  2. pyspectra · PyPI

    Nov 9, 2020 · PySpectra is intended to facilitate working with spectroscopy files in python by using a friendly integration with pandas dataframe objects. Also pyspectra provides a set of routines to execute spectral pre-processing like: ..

  3. Determination of the HCl bond length by IR spectroscopy

    In this report, I will utilise infrared (IR) spectroscopy data from hydrochloric acid to evaluate the H-Cl bond length. Using IR spectroscopy, we can investigate structural features of simple molecules, and for diatomic molecules it is possible to determine molecular bond …

  4. Open-source python module for automated preprocessing of near infrared ...

    Apr 29, 2020 · The near infrared preprocessing Python toolbox (abbreviated as nippy) is a Python module that enables the user to easily define multiple different preprocessing strategies for NIRS data. The module is written in Python 3.6 and should, therefore, be …

  5. Time-resolved spectroscopy toolbox for python - GitHub

    skultrafast is a Python package for ultrafast spectroscopy data analysis. It provides tools for analyzing various types of time-resolved spectroscopy data, including pump-probe, transient absorption, and two-dimensional infrared (2D-IR) spectroscopy.

  6. rampy · PyPI

    Apr 2, 2025 · Rampy is a Python library that aims at helping processing spectroscopic data, such as Raman, Infrared or XAS spectra. Documentation: …

  7. larsyunker/FTIR-python-tools - GitHub

    This method takes an interferogram and processes it into an infrared spectrum. The processing method is currently as follows: The interferogram is zeroed (centered around zero) The interferogram is apodized about the zero-path-difference (ZPD)

  8. GitHub - kroumpas/FTIR-Kramers-Kronig-Transformation: This Python

    This Python project reads FTIR (Fourier-transform infrared spectroscopy) data, performs a Kramers-Kronig transformation on the reflectance data, and visualizes the resulting absorbance values. The transformation can help eliminate derivative peaks and highlight the true absorbance peaks in your spectra.

  9. To perform spectral analysis using FTIR in Python with raw

    Answer: To perform spectral analysis using FTIR (Fourier Transform Infrared Spectroscopy) in Python, you can follow these general steps:

  10. Rampy: a Python library for processing spectroscopic (IR, Raman, …

    Rampy is a Python library that aims at helping processing spectroscopic data, such as Raman, Infrared or XAS spectra. It offers, for instance, functions to subtract baselines as well as to stack, resample or smooth spectra.

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