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v0.6.6 – First Public Release

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@dd-hebert dd-hebert released this 03 Mar 23:33
· 63 commits to main since this release
v0.6.6
97a40b1

v0.6.6 – First Public Release

This is the first public release of uv_pro, designed for interactive and automated analysis of UV-vis spectral data with the command line. Built for processing UV-vis spectral data generated from the Agilent 845x Chemstation software.

Features:

  • Parse .KD files and export as .CSV
  • UV-vis data processing (truncate, slice, time traces)
  • Outlier detection
  • Interactive plotting with Matplotlib
  • Peak detection
  • Batch exporting of spectra to .CSV files
  • Kinetic analysis (exponential fitting, initial rates)
  • Binary mixture solving
  • Figure creation

Installation:
If you have git installed on your system, you can install uv_pro directly from the repo using pip:

pip install git+https://github.com/dd-hebert/uv_pro.git

Otherwise, clone the repo and build the package using setuptools and build:

# From inside repo
python -m build

Then use pip to install the newly created .whl file:

# .whl file can be found in /repo/dist/
pip install uv_pro-x.x.x-py3-none-any.whl

Known Supported Chemstation Versions:

  • B.05.02 [16]

Disclaimer
Binary files from other versions of UV-vis Chemstation, different spectrometer setups, or custom methods may not be fully supported.

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