### Install Local Package

Source: https://github.com/nzhagen/jcamp/blob/master/CONTRIBUTING.md

Install the project locally using pip to test.

```bash
pip install .
```

--------------------------------

### Install jcamp Package

Source: https://github.com/nzhagen/jcamp/blob/master/README.md

Install or upgrade the jcamp package using pip. This command ensures you have the latest version available from PyPI.

```shell
pip install --upgrade jcamp
```

--------------------------------

### Create Source Distribution

Source: https://github.com/nzhagen/jcamp/blob/master/CONTRIBUTING.md

Generate a source distribution archive for packaging.

```bash
python3 setup.py sdist
```

--------------------------------

### Upload to PyPI

Source: https://github.com/nzhagen/jcamp/blob/master/CONTRIBUTING.md

Upload the distribution files to the Python Package Index.

```bash
twine upload dist/*
```

--------------------------------

### Create Release Commit

Source: https://github.com/nzhagen/jcamp/blob/master/CONTRIBUTING.md

Commit changes to version files before creating a release.

```bash
git commit -m "Release v0.1.2" jcamp.py setup.py
```

--------------------------------

### Push Commit and Tag

Source: https://github.com/nzhagen/jcamp/blob/master/CONTRIBUTING.md

Push the commit and its associated tag to the remote repository.

```bash
git push --follow-tags
```

--------------------------------

### Perform Web Query with JCAMP

Source: https://github.com/nzhagen/jcamp/blob/master/README.md

Fetch JCAMP data from a URL using the requests package and parse it with jcamp_read. The content is decoded from bytes to UTF-8 strings.

```python
response = requests.get(something)
content = response.content.splitlines()
content = [line.decode("utf-8") for line in content]
data_dict = jcamp_read(content)
```

--------------------------------

### Plot UV-Vis Spectrum

Source: https://github.com/nzhagen/jcamp/blob/master/doc/demo.ipynb

Reads a UV-Vis spectrum file and plots the data in red. Requires the jcamp and matplotlib libraries.

```python
filename = '../data/uvvis_spectra/toluene.jdx'
plt.figure()
jcamp_dict = jcamp_reader(filename)
plt.plot(jcamp_dict['x'], jcamp_dict['y'], 'r-')
plt.title(filename)
plt.xlabel(jcamp_dict['xunits'])
plt.ylabel(jcamp_dict['yunits'])
```

--------------------------------

### Write JCAMP-DX File

Source: https://github.com/nzhagen/jcamp/blob/master/README.md

Write data to a JCAMP-DX file using jcamp_writefile. The input dictionary must contain 'x' and 'y' keys for the primary data.

```python
jcamp_writefile(data_dict, filename)
```

--------------------------------

### Tag Release Commit

Source: https://github.com/nzhagen/jcamp/blob/master/CONTRIBUTING.md

Attach a tag to the release commit for version control.

```bash
git tag v0.1.2
```

--------------------------------

### Plot Mass Spectrum

Source: https://github.com/nzhagen/jcamp/blob/master/doc/demo.ipynb

Reads a mass spectrum file and plots the intensity of each mass-to-charge ratio using distinct vertical lines. Requires the jcamp and numpy libraries.

```python
filename = '../data/mass_spectra/ethanol_ms.jdx'
jcamp_dict = jcamp_reader(filename)
plt.figure()
for n in arange(alen(jcamp_dict['x'])):
    plt.plot((jcamp_dict['x'][n],jcamp_dict['x'][n]), (0.0, jcamp_dict['y'][n]), 'm-', linewidth=2.0)
plt.title(filename)
plt.xlabel(jcamp_dict['xunits'])
plt.ylabel(jcamp_dict['yunits'])
```

--------------------------------

### Plot Infrared Spectrum

Source: https://github.com/nzhagen/jcamp/blob/master/doc/demo.ipynb

Reads an infrared spectrum file and plots its absorbance/transmittance data. Requires the jcamp and matplotlib libraries.

```python
%matplotlib inline
import matplotlib.pyplot as plt
from numpy import alen, arange

from jcamp import jcamp_calc_xsec, jcamp_reader

filename = '../data/infrared_spectra/methane.jdx'
jcamp_dict = jcamp_reader(filename)
plt.plot(jcamp_dict['x'], jcamp_dict['y'])
plt.title(filename)
plt.xlabel(jcamp_dict['xunits'])
plt.ylabel(jcamp_dict['yunits'])
```

--------------------------------

### Plot Raman Spectrum

Source: https://github.com/nzhagen/jcamp/blob/master/doc/demo.ipynb

Reads a Raman spectrum file and plots the data in black. Requires the jcamp and matplotlib libraries.

```python
filename = '../data/raman_spectra/tannic_acid.jdx'
jcamp_dict = jcamp_reader(filename)
plt.figure()
plt.plot(jcamp_dict['x'], jcamp_dict['y'], 'k-')
plt.title(filename)
plt.xlabel(jcamp_dict['xunits'])
plt.ylabel(jcamp_dict['yunits'])
```

--------------------------------

### Calculate Cross-Section from JCAMP Data

Source: https://github.com/nzhagen/jcamp/blob/master/README.md

Convert JCAMP data to wavelength (microns) and cross-section (m^2) using jcamp_calc_xsec. This function modifies the input dictionary in-place.

```python
jcamp_calc_xsec(jcamp_dict, wavemin=8.0, wavemax=12.0, skip_nonquant=True)
```

--------------------------------

### Calculate and Plot Infrared Cross-Section

Source: https://github.com/nzhagen/jcamp/blob/master/doc/demo.ipynb

Calculates the cross-section for an infrared spectrum and plots it. This function is useful for quantitative analysis of infrared data. Requires the jcamp library.

```python
jcamp_calc_xsec(jcamp_dict, skip_nonquant=False, debug=True)
plt.figure()
plt.plot(jcamp_dict['wavelengths'], jcamp_dict['xsec'])
plt.title(filename)
plt.xlabel('um')
plt.ylabel('Cross-section (m^2)')
```

--------------------------------

### Read JCAMP File Data

Source: https://github.com/nzhagen/jcamp/blob/master/README.md

Use the jcamp_reader function to parse a JCAMP-DX file. It returns a dictionary containing header fields and data arrays 'x' and 'y'.

```python
data_dict = jcamp_reader(filename)
```

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