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Technical Overview | Installation | Contributing | License | Help and Resources

FTIR Data Analytics

With the FTIR data analysis package you can read FTIR data, perform automated buffer subtractions, spectral offsetting corrections, and deconvolute second derivative data.

This project was started as a way to improve spectra deconvolution of FTIR data, and only the tools necessary to analyze FTIR absorbance data have been built by KBI Biopharma.

Technical Overview

Installation

Check prerequisites

  • Python 3.5 or greater
  • Package dependencies are listed below. Validation of package versions has not been performed, however, only basic functionality from each package is used, and it is expected that ftir_data_analytics will work with almost any version of these packages.
    • pandas
    • numpy
    • matplotlib
    • scipy

Install packages

Currently, only the source code for this package is provided. The package can be installed using python setuptools in a virtual environment on your system. The source code must first be down loaded onto the local users machine. Using the python environment of your choice, install this FTIR package by running the following command using bash, the command prompt, or alternative in the root folder of the code directory (will contain the file setup.py)

python setup.py install

Creating python virtual environments for data analysis can be done using a variety of tools. Conda and the Enthought Tool Suite are the preferred virtual environment management tools at KBI Biopharma.

Check Installation

The validity of the install can be confirmed by importing the FTIR data analysis tools into your python environment using import ftir. A more robust test suite may be developed depending on the utilization of these tools.

Contributing

If you would like to contribute to the project, please contact Brent Kendrick or Jared Young at KBI Biopharma.

License

We use a shared copyright model that enables all contributors to maintain the copyright on their contributions.

All code is licensed under the terms of the revised BSD license.

Help and Resources


Technical Overview | Installation | Contributing | License | Help and Resources

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Brent's code for FTIR deconvolution

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