SpectroChemPy is a framework for processing, analyzing and modeling spectroscopic data for chemistry with Python
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Updated
May 10, 2024 - Python
SpectroChemPy is a framework for processing, analyzing and modeling spectroscopic data for chemistry with Python
🌈 A collaborative list of awesome tools for spectroscopy. Also, check:
A Python library of algorithms for the baseline correction of experimental data.
Python package for reading Bruker OPUS files.
Read Nicolet/Thermo Omnic files on python (.spa).
JASCO file to text file converter
Python package for working with spectral data
Jupyter Notebooks for spectroscopic data processing
The scripts contained in this repository relate directly to the work conducted by the Tree Root Microbiome Project (TRMP) led by Dr Steve Wakelin.
QUIDDIT is a software tool for automated processing of diamond IR spectra
Explainable Detection of Microplastics using Transformer Neural Networks. Includes codes for a classification transformer aimed at classifying microplastic FTIR data.
Convert many binary format OPUS files to .dpt (Data Point Table) file format
A simple GUI tool to plot FTIR (Fourier transform infrared) spectroscopy data.
Code to accompany the "Metasurface-enhanced infrared spectroscopy in multiwell format for real-time assaying of live cells" (Labs on a chip, 2023) 10.1039/d3lc00017f
Productivity tools for FTIR
From the Lower Crust to the mantle: elastic properties, anisotropy, and water content of the Cabo Ortegal complex
This repository showcases a database of 10,000 generated IR spectrum samples of leukemia cases (N=5000) and healthy controls (N=5000). Only the fingerprint region (1800 cm^-1 to 850 cm^-1 at 4 cm^-1 resolution) was considered.
A python package for communicating with Bruker OPUS spectroscopy software and reading its binary file format.
Example codes for photonic simulations, mostly in the mid-IR region (2 um-20 um), using various open source packages.
Processes FTIR spectra of natural organic matter by finding exact peak locations, baseline-correcting the peaks, and converting them to relative abundances.
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