spectrum-simulator-epr
A spectrum simulator for electron paramagnetic spectroscopy
Science Score: 31.0%
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✓CITATION.cff file
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✓codemeta.json file
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○Scientific vocabulary similarity
Low similarity (4.5%) to scientific vocabulary
Repository
A spectrum simulator for electron paramagnetic spectroscopy
Basic Info
- Host: GitHub
- Owner: vlindh
- Language: Jupyter Notebook
- Default Branch: main
- Size: 3.91 KB
Statistics
- Stars: 0
- Watchers: 1
- Forks: 0
- Open Issues: 0
- Releases: 0
Metadata Files
README.md
Degree project in molecular science and engineering Electron Paramagnetic Resonance (EPR) Spectrum simulator for learning purposes Made in Python using Jupyter Notebook Requires ipympl (https://matplotlib.org/ipympl/) to run
How to use: Run the code and a number of buttons, fields, and other controls should appear in cell no.2 with a spectrum figure below Adjust values as necessary, press "Commit splits" and change values of either Resolution, X min or X max to update the spectrum figure Change "Number of splits" to add/remove rows for equivalent splits Each split row is for one set of a number of (SplitX no. nuclei) equivalent nuclei
The spectrum figure Y-axis can be interpreted as relative intensity, although the values are not normalized
Because the figure does not auto zoom there are some restrictions on possible hyperfine constant values. These can be altered in the code however by changing the values of X min and X max and increasing the resolution of the stats.norm function.
Owner
- Login: vlindh
- Kind: user
- Repositories: 1
- Profile: https://github.com/vlindh
Citation (CITATION.cff)
# This CITATION.cff file was generated with cffinit.
# Visit https://bit.ly/cffinit to generate yours today!
cff-version: 1.2.0
title: EPR Spectrum Simulator
message: >-
If you use this software, please cite it using the
metadata from this file.
type: software
authors:
- given-names: Vilhelm
family-names: Lindh
repository-code: 'https://github.com/vlindh/spectrum-simulator-epr'
GitHub Events
Total
- Push event: 2
- Public event: 1
Last Year
- Push event: 2
- Public event: 1