Calculate spectral derivative using SciPy fftpack

In Python, Derivative spectroscopy uses first or higher derivatives of absorbance concerning wavelength for qualitative analysis and quantification. The concept of derivatizing spectral data was first introduced in the 1950s when it was shown to have many advantages. 

The advantages of SciPy are that it is a set of mathematical algorithms and convenience functions built on the NumPy extension of Python. It will add significant power to the interactive Python session by offering the user high-level commands and classes for manipulating and visualizing data. The derivative process provides two general advantages: first, an effective enhancement of resolution, which can be useful to separate two or more components with overlapping spectra; second, a discrimination in favour of the sharpest features of a spectrum, used to eliminate interferences by broadband constituents. 

• NumPy - a Python library used for working with arrays. It has functions for working in the domain of linear algebra, Fourier transform, and matrices. 
• Matplotlib is a downright library for creating static, animated, and interactive visualizations in Python, and it makes easy and hard things possible. It creates publication-quality plots. Also, it makes interactive figures that can zoom, pan, and update. 
• SciPy - a set of convenience functions and mathematical algorithms built on the NumPy extension of Python. 

Here is an example of how to calculate spectral derivative using SciPy in Python: 

Fig: Preview of the output that you will get on running this code from your IDE.

Code

In this solution we're using NumPy, Matpotlib and SciPy libraries.

Instructions

Follow the steps carefully to get the output easily.

1. Install PyCharm Community Edition on your computer.
2. Open terminal and install the required libraries with following commands.
3. Install NumPy - pip install numpy.
4. Install Matplotlib - pip install matplotlib.
5. Install SciPy - pip install scipy.
6. Create a new Python file(eg: test.py).
7. Copy the snippet using the 'copy' button and paste it into that file.
8. Run the file using run button.

I hope you found this useful. I have added the link to dependent libraries, version information in the following sections.

I found this code snippet by searching for 'calculate spectral derivative using scipy' in kandi. You can try any such use case!

Environment Tested

I tested this solution in the following versions. Be mindful of changes when working with other versions.

1. The solution is created in PyCharm 2022.3.3.
2. The solution is tested on Python 3.9.7.
3. NumPy version 1.24.2.
4. Matplotlib version 3.7.1.
5. SciPy version 1.10.1.

Using this solution, we are able to calculate spectral derivative using SciPy fftpack in Python with simple steps. This process also facilities an easy way to use, hassle-free method to create a hands-on working version of code which would help us to calculate spectral derivative using SciPy fftpack in Python.

Dependent Libraries

You can also search for any dependent libraries on kandi like 'NumPy', 'Matplotlib' and 'SciPy'.

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