pyEllipse 0.1.2__tar.gz

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+ MIT License
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+
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+ Copyright (c) 2025 Christian L. Goueguel
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+
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+ Permission is hereby granted, free of charge, to any person obtaining a copy
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+ of this software and associated documentation files (the "Software"), to deal
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+ in the Software without restriction, including without limitation the rights
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+ to use, copy, modify, merge, publish, distribute, sublicense, and/or sell
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+ copies of the Software, and to permit persons to whom the Software is
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+ furnished to do so, subject to the following conditions:
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+
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+ The above copyright notice and this permission notice shall be included in all
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+ copies or substantial portions of the Software.
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+
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+ THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR
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+ IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY,
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+ FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE
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+ AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER
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+ LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM,
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+ OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN THE
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+ SOFTWARE.
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+ Metadata-Version: 2.4
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+ Name: pyEllipse
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+ Version: 0.1.2
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+ Summary: Tools for creating and analyzing confidence ellipses, including Hotelling's T-squared ellipses for multivariate statistical analysis and data visualization.
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+ License: MIT
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+ License-File: LICENSE
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+ Keywords: statistics,confidence-ellipse,hotelling,multivariate,visualization
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+ Author: Christian L. Goueguel
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+ Author-email: christian.goueguel@gmail.com
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+ Requires-Python: >=3.9,<3.13
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+ Classifier: Development Status :: 5 - Production/Stable
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+ Classifier: Intended Audience :: Science/Research
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+ Classifier: License :: OSI Approved :: MIT License
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+ Classifier: Programming Language :: Python :: 3
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+ Classifier: Programming Language :: Python :: 3.9
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+ Classifier: Programming Language :: Python :: 3.10
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+ Classifier: Programming Language :: Python :: 3.11
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+ Classifier: Programming Language :: Python :: 3.12
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+ Classifier: Programming Language :: Python :: 3.8
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+ Classifier: Topic :: Scientific/Engineering :: Mathematics
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+ Classifier: Topic :: Scientific/Engineering :: Visualization
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+ Provides-Extra: all
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+ Provides-Extra: plotting
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+ Requires-Dist: matplotlib (>=3.7.0,<4.0.0)
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+ Requires-Dist: numpy (>=1.24.0,<2.0.0)
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+ Requires-Dist: pandas (>=2.0.0,<3.0.0)
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+ Requires-Dist: plotly (>=5.14.0,<6.0.0) ; extra == "plotting" or extra == "all"
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+ Requires-Dist: scikit-learn (>=1.3.0,<2.0.0)
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+ Requires-Dist: scipy (>=1.11.0,<2.0.0)
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+ Requires-Dist: seaborn (>=0.12.0,<0.13.0) ; extra == "plotting" or extra == "all"
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+ Project-URL: Bug Tracker, https://github.com/ChristianGoueguel/pyEllipse/issues
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+ Project-URL: Documentation, https://christiangoueguel.github.io/pyEllipse
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+ Project-URL: Homepage, https://github.com/ChristianGoueguel/pyEllipse
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+ Project-URL: Repository, https://github.com/ChristianGoueguel/pyEllipse
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+ Description-Content-Type: text/markdown
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+
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+ # pyEllipse
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+
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+ A Python package for computing Hotelling's T² statistics and generating confidence ellipse/ellipsoid coordinates for multivariate data analysis and visualization.
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+
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+ [![PyPI version](https://badge.fury.io/py/pyellipse.svg)](https://badge.fury.io/py/pyellipse)
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+ [![Python Versions](https://img.shields.io/pypi/pyversions/pyellipse.svg)](https://pypi.org/project/pyellipse/)
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+ [![License](https://img.shields.io/github/license/ChristianGoueguel/pyEllipse.svg)](https://github.com/ChristianGoueguel/pyEllipse/blob/main/LICENSE)
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+ ![PyPI - Downloads](https://img.shields.io/pypi/dd/pyEllipse)
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+ ![PyPI - Downloads](https://img.shields.io/pypi/dw/pyEllipse)
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+ ![PyPI - Downloads](https://img.shields.io/pypi/dm/pyEllipse)
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+ ![PyPI - Format](https://img.shields.io/pypi/format/pyEllipse)
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+ ![PyPI - Status](https://img.shields.io/pypi/status/pyEllipse)
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+ ![PyPI - Implementation](https://img.shields.io/pypi/implementation/pyEllipse)
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+
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+ ## Overview
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+
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+ `pyEllipse` provides three main functions for analyzing multivariate data:
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+
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+ 1. __`hotelling_parameters`__ - Calculate Hotelling's T² statistics and ellipse parameters
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+ 2. __`hotelling_coordinates`__ - Generate Hotelling's ellipse/ellipsoid coordinates from PCA/PLS scores
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+ 3. __`confidence_ellipse`__ - Compute confidence ellipse/ellipsoid coordinates from raw data with grouping support
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+
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+ ## Installation
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+
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+ ```bash
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+ pip install pyEllipse
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+ ```
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+
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+ ## Usage Examples
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+
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+ ### Example 1: Hotelling's T² statistic and confidence ellipse from PCA Scores
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+
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+ ```python
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+ import numpy as np
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+ import pandas as pd
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+ import matplotlib.pyplot as plt
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+ plt.style.use('bmh')
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+ from mpl_toolkits.mplot3d import Axes3D
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+ from sklearn.preprocessing import StandardScaler
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+ from sklearn.decomposition import PCA
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+ from pathlib import Path
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+ from pyEllipse import hotelling_parameters, hotelling_coordinates, confidence_ellipse
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+ ```
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+
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+ ```python
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+ def load_wine_data():
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+ """Load wine dataset and add cultivar labels"""
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+ wine_df = pd.read_csv('data/wine.csv')
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+
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+ # Add cultivar labels based on standard Wine dataset structure
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+ cultivar = []
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+ for i in range(len(wine_df)):
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+ if i < 59:
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+ cultivar.append('Cultivar 1')
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+ elif i < 130:
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+ cultivar.append('Cultivar 2')
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+ else:
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+ cultivar.append('Cultivar 3')
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+
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+ wine_df['Cultivar'] = cultivar
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+ return wine_df
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+ ```
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+
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+ ```python
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+ wine_df = load_wine_data()
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+ X = wine_df.drop('Cultivar', axis=1)
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+ y = wine_df['Cultivar']
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+
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+ # Perform PCA
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+ pca = PCA()
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+ SS = StandardScaler()
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+ X = SS.fit_transform(X)
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+ pca_scores = pca.fit_transform(X)
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+ explained_var = pca.explained_variance_ratio_
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+ ```
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+
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+ ```python
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+ plt.style.use('bmh')
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+ # Calculate T² statistics
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+ results = hotelling_parameters(pca_scores, k=2)
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+ t2 = results['Tsquared'].values
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+
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+ # Generate ellipse coordinates for plotting
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+ ellipse_95 = hotelling_coordinates(pca_scores, pcx=1, pcy=2, conf_limit=0.95)
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+ ellipse_99 = hotelling_coordinates(pca_scores, pcx=1, pcy=2, conf_limit=0.99)
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+
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+ # Plot the PCA scores with Hotelling's T² ellipse
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+ plt.figure(figsize=(8, 6))
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+ scatter = plt.scatter(
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+ pca_scores[:, 0], pca_scores[:, 1],
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+ c=t2, cmap='jet', alpha=0.85, s=70, label='Wine samples'
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+ )
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+ cbar = plt.colorbar(scatter)
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+ cbar.set_label('Hotelling T² Statistic', rotation=270, labelpad=20)
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+
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+ plt.plot(ellipse_95['x'], ellipse_95['y'], 'r-', linewidth=1, label='95% Confidence level')
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+ plt.plot(ellipse_99['x'], ellipse_99['y'], 'k-', linewidth=1, label='99% Confidence level')
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+ plt.xlim(-1000, 1000)
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+ plt.ylim(-50, 60)
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+ plt.xlabel(f'PC1 ({explained_var[0]*100:.2f}%)', fontsize=14, labelpad=10, fontweight='bold')
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+ plt.ylabel(f'PC2 ({explained_var[1]*100:.2f}%)', fontsize=14, labelpad=10, fontweight='bold')
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+ plt.title("Hotelling's T² Ellipse from PCA Scores", fontsize=16, pad=10, fontweight='bold')
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+ plt.legend(
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+ loc='upper left', fontsize=10, frameon=True, framealpha=0.9,
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+ edgecolor='black', shadow=True, facecolor='white', borderpad=1
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+ )
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+ plt.show()
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+ ```
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+
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+ ![Hotelling Ellipse](https://raw.githubusercontent.com/ChristianGoueguel/pyEllipse/main/images/example1_hotelling_ellipse.png)
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+
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+ ### Example 2: Grouped Confidence Ellipses
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+
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+ ```python
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+ wine_df['PC1'] = pca_scores[:, 0]
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+ wine_df['PC2'] = pca_scores[:, 1]
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+
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+ colors = ['red', 'blue', 'green']
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+ cultivars = wine_df['Cultivar'].unique()
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+ color_map = {cultivar: color for cultivar, color in zip(cultivars, colors)}
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+ point_colors = wine_df['Cultivar'].map(color_map)
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+
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+ # Plott PCA scores with confidence ellipses for each cultivar
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+ plt.figure(figsize=(8, 6))
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+
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+ for i, cultivar in enumerate(cultivars):
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+ mask = wine_df['Cultivar'] == cultivar
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+ plt.scatter(
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+ wine_df.loc[mask, 'PC1'], wine_df.loc[mask, 'PC2'], # type: ignore
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+ c=colors[i], alpha=0.6, s=70, label=cultivar
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+ )
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+
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+ ellipse_coords = confidence_ellipse(
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+ data=wine_df,
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+ x='PC1',
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+ y='PC2',
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+ group_by='Cultivar',
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+ conf_level=0.95,
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+ robust=True,
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+ distribution='hotelling'
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+ )
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+
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+ for i, cultivar in enumerate(cultivars):
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+ ellipse_data = ellipse_coords[ellipse_coords['Cultivar'] == cultivar]
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+ plt.plot(
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+ ellipse_data['x'], ellipse_data['y'],
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+ color=colors[i], linewidth=1, linestyle='-', label=f'{cultivar} (95% CI)'
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+ )
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+
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+ plt.xlim(-1000, 1000)
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+ plt.ylim(-50, 60)
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+ plt.xlabel(f'PC1 ({explained_var[0]*100:.2f}%)', fontsize=14, labelpad=10, fontweight='bold')
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+ plt.ylabel(f'PC2 ({explained_var[1]*100:.2f}%)', fontsize=14, labelpad=10, fontweight='bold')
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+ plt.title("PCA Scores with Cultivar Group Confidence Ellipses", fontsize=16, pad=10, fontweight='bold')
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+ plt.legend(
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+ loc='upper left', fontsize=10, frameon=True, framealpha=0.9,
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+ edgecolor='black', shadow=True, facecolor='white', borderpad=1
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+ )
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+ plt.show()
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+ ```
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+
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+ ![Hotelling Ellipse](https://raw.githubusercontent.com/ChristianGoueguel/pyEllipse/main/images/grouped_ellipses.png)
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+
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+ ### Example 3: Grouped 3D Confidence Ellipsoids
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+
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+ ```python
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+ wine_df['PC1'] = pca_scores[:, 0]
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+ wine_df['PC2'] = pca_scores[:, 1]
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+ wine_df['PC3'] = pca_scores[:, 2]
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+
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+ colors = ['red', 'blue', 'green']
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+ light_colors = ['lightcoral', 'lightblue', 'lightgreen']
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+ cultivars = wine_df['Cultivar'].unique()
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+
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+ ellipse_coords = confidence_ellipse(
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+ data=wine_df,
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+ x='PC1',
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+ y='PC2',
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+ z='PC3',
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+ group_by='Cultivar',
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+ conf_level=0.95,
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+ robust=True,
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+ distribution='hotelling'
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+ )
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+
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+ fig = plt.figure(figsize=(10, 6), facecolor='white')
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+ ax = fig.add_subplot(111, projection='3d', facecolor='white')
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+
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+ for i, cultivar in enumerate(cultivars):
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+ mask = wine_df['Cultivar'] == cultivar
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+ ax.scatter(
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+ wine_df.loc[mask, 'PC1'],
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+ wine_df.loc[mask, 'PC2'],
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+ wine_df.loc[mask, 'PC3'], # type: ignore
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+ c=colors[i],
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+ alpha=0.8,
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+ s=50,
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+ label=cultivar,
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+ edgecolors='black',
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+ linewidth=0.5
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+ )
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+
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+ ellipse_data = ellipse_coords[ellipse_coords['Cultivar'] == cultivar]
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+ n_points = int(np.sqrt(len(ellipse_data)))
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+
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+ x_2d = ellipse_data['x'].values.reshape(n_points, -1)
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+ y_2d = ellipse_data['y'].values.reshape(n_points, -1)
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+ z_2d = ellipse_data['z'].values.reshape(n_points, -1)
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+
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+ ax.plot_surface(
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+ x_2d,
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+ y_2d,
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+ z_2d,
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+ color=light_colors[i],
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+ alpha=0.4,
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+ linewidth=0,
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+ antialiased=True
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+ )
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+
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+ ax.set_xlabel(f'PC1 ({explained_var[0]*100:.2f}%)', fontsize=12, labelpad=5, fontweight='bold')
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+ ax.set_ylabel(f'PC2 ({explained_var[1]*100:.2f}%)', fontsize=12, labelpad=5, fontweight='bold')
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+ ax.set_zlabel(f'PC3 ({explained_var[2]*100:.2f}%)', fontsize=12, labelpad=1, fontweight='bold')
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+ ax.set_title('3D PCA Scores with 95% Confidence Ellipsoids', fontsize=16, fontweight='bold')
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+ ax.legend(
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+ loc='upper right', fontsize=10, frameon=True, framealpha=0.9,
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+ edgecolor='black', shadow=True, facecolor='white', borderpad=1
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+ )
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+ ax.grid(True, alpha=0.3, color='gray')
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+ ax.view_init(elev=20, azim=65)
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+ plt.tight_layout()
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+ plt.show()
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+ ```
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+
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+ ![Hotelling Ellipse](https://raw.githubusercontent.com/ChristianGoueguel/pyEllipse/main/images/3d_ellipsoids.png)
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+
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+ ## Key Differences Between Functions
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+
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+ | Feature | `hotelling_parameters` | `hotelling_coordinates` | `confidence_ellipse` |
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+ |---------|----------------|-----------------|---------------------|
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+ | __Input__ | Component scores | Component scores | Raw data |
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+ | __Purpose__ | T² statistics | Plot coordinates | Plot coordinates |
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+ | __Grouping__ | -- | -- | Yes |
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+ | __Robust__ | -- | -- | Yes |
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+ | __2D/3D__ | 2D only for ellipse params | Both | Both |
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+ | __Distribution__ | Hotelling only | Hotelling only | Normal or Hotelling |
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+ | __Use Case__ | Outlier detection, QC | Visualizing PCA | Exploratory data analysis |
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+
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+ ## When to Use Each Function
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+
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+ ### Use `hotelling_parameters` when:
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+
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+ - You need T² statistics for outlier detection
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+ - You want confidence cutoff values
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+ - You're performing quality control or process monitoring
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+ - You need ellipse parameters (semi-axes lengths)
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+
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+ ### Use `hotelling_coordinates` when:
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+
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+ - You have PCA/PLS component scores
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+ - You want to visualize confidence regions on score plots
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+ - You need precise control over which components to plot
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+ - You're creating publication-quality figures from multivariate models
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+
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+ ### Use `confidence_ellipse` when:
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+
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+ - You're working with raw data (not scores)
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+ - You need to compare multiple groups
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+ - You want robust estimation for outlier-resistant analysis
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+ - You need flexibility in distribution choice (normal vs Hotelling)
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+
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+ ## References
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+
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+ 1. Hotelling, H. (1931). The generalization of Student's ratio. *Annals of Mathematical Statistics*, 2(3), 360-378.
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+ 2. Brereton, R. G. (2016). Hotelling's T-squared distribution, its relationship to the F distribution and its use in multivariate space. *Journal of Chemometrics*, 30(1), 18-21.
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+ 3. Raymaekers, J., & Rousseeuw, P. J. (2019). Fast robust correlation for high dimensional data. *Technometrics*, 63(2), 184-198.
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+ 4. Jackson, J. E. (1991). *A User's Guide to Principal Components*. Wiley.
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+
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+ # pyEllipse
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+
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+ A Python package for computing Hotelling's T² statistics and generating confidence ellipse/ellipsoid coordinates for multivariate data analysis and visualization.
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+
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+ [![PyPI version](https://badge.fury.io/py/pyellipse.svg)](https://badge.fury.io/py/pyellipse)
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+ [![Python Versions](https://img.shields.io/pypi/pyversions/pyellipse.svg)](https://pypi.org/project/pyellipse/)
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+ [![License](https://img.shields.io/github/license/ChristianGoueguel/pyEllipse.svg)](https://github.com/ChristianGoueguel/pyEllipse/blob/main/LICENSE)
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+ ![PyPI - Downloads](https://img.shields.io/pypi/dd/pyEllipse)
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+ ![PyPI - Downloads](https://img.shields.io/pypi/dw/pyEllipse)
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+ ![PyPI - Downloads](https://img.shields.io/pypi/dm/pyEllipse)
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+ ![PyPI - Format](https://img.shields.io/pypi/format/pyEllipse)
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+ ![PyPI - Status](https://img.shields.io/pypi/status/pyEllipse)
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+ ![PyPI - Implementation](https://img.shields.io/pypi/implementation/pyEllipse)
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+
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+ ## Overview
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+
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+ `pyEllipse` provides three main functions for analyzing multivariate data:
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+
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+ 1. __`hotelling_parameters`__ - Calculate Hotelling's T² statistics and ellipse parameters
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+ 2. __`hotelling_coordinates`__ - Generate Hotelling's ellipse/ellipsoid coordinates from PCA/PLS scores
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+ 3. __`confidence_ellipse`__ - Compute confidence ellipse/ellipsoid coordinates from raw data with grouping support
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+
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+ ## Installation
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+
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+ ```bash
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+ pip install pyEllipse
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+ ```
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+
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+ ## Usage Examples
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+
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+ ### Example 1: Hotelling's T² statistic and confidence ellipse from PCA Scores
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+
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+ ```python
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+ import numpy as np
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+ import pandas as pd
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+ import matplotlib.pyplot as plt
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+ plt.style.use('bmh')
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+ from mpl_toolkits.mplot3d import Axes3D
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+ from sklearn.preprocessing import StandardScaler
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+ from sklearn.decomposition import PCA
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+ from pathlib import Path
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+ from pyEllipse import hotelling_parameters, hotelling_coordinates, confidence_ellipse
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+ ```
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+
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+ ```python
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+ def load_wine_data():
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+ """Load wine dataset and add cultivar labels"""
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+ wine_df = pd.read_csv('data/wine.csv')
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+
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+ # Add cultivar labels based on standard Wine dataset structure
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+ cultivar = []
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+ for i in range(len(wine_df)):
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+ if i < 59:
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+ cultivar.append('Cultivar 1')
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+ elif i < 130:
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+ cultivar.append('Cultivar 2')
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+ else:
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+ cultivar.append('Cultivar 3')
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+
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+ wine_df['Cultivar'] = cultivar
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+ return wine_df
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+ ```
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+
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+ ```python
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+ wine_df = load_wine_data()
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+ X = wine_df.drop('Cultivar', axis=1)
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+ y = wine_df['Cultivar']
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+
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+ # Perform PCA
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+ pca = PCA()
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+ SS = StandardScaler()
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+ X = SS.fit_transform(X)
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+ pca_scores = pca.fit_transform(X)
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+ explained_var = pca.explained_variance_ratio_
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+ ```
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+
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+ ```python
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+ plt.style.use('bmh')
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+ # Calculate T² statistics
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+ results = hotelling_parameters(pca_scores, k=2)
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+ t2 = results['Tsquared'].values
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+
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+ # Generate ellipse coordinates for plotting
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+ ellipse_95 = hotelling_coordinates(pca_scores, pcx=1, pcy=2, conf_limit=0.95)
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+ ellipse_99 = hotelling_coordinates(pca_scores, pcx=1, pcy=2, conf_limit=0.99)
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+
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+ # Plot the PCA scores with Hotelling's T² ellipse
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+ plt.figure(figsize=(8, 6))
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+ scatter = plt.scatter(
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+ pca_scores[:, 0], pca_scores[:, 1],
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+ c=t2, cmap='jet', alpha=0.85, s=70, label='Wine samples'
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+ )
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+ cbar = plt.colorbar(scatter)
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+ cbar.set_label('Hotelling T² Statistic', rotation=270, labelpad=20)
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+
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+ plt.plot(ellipse_95['x'], ellipse_95['y'], 'r-', linewidth=1, label='95% Confidence level')
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+ plt.plot(ellipse_99['x'], ellipse_99['y'], 'k-', linewidth=1, label='99% Confidence level')
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+ plt.xlim(-1000, 1000)
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+ plt.ylim(-50, 60)
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+ plt.xlabel(f'PC1 ({explained_var[0]*100:.2f}%)', fontsize=14, labelpad=10, fontweight='bold')
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+ plt.ylabel(f'PC2 ({explained_var[1]*100:.2f}%)', fontsize=14, labelpad=10, fontweight='bold')
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+ plt.title("Hotelling's T² Ellipse from PCA Scores", fontsize=16, pad=10, fontweight='bold')
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+ plt.legend(
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+ loc='upper left', fontsize=10, frameon=True, framealpha=0.9,
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+ edgecolor='black', shadow=True, facecolor='white', borderpad=1
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+ )
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+ plt.show()
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+ ```
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+
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+ ![Hotelling Ellipse](https://raw.githubusercontent.com/ChristianGoueguel/pyEllipse/main/images/example1_hotelling_ellipse.png)
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+
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+ ### Example 2: Grouped Confidence Ellipses
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+
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+ ```python
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+ wine_df['PC1'] = pca_scores[:, 0]
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+ wine_df['PC2'] = pca_scores[:, 1]
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+
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+ colors = ['red', 'blue', 'green']
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+ cultivars = wine_df['Cultivar'].unique()
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+ color_map = {cultivar: color for cultivar, color in zip(cultivars, colors)}
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+ point_colors = wine_df['Cultivar'].map(color_map)
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+
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+ # Plott PCA scores with confidence ellipses for each cultivar
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+ plt.figure(figsize=(8, 6))
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+
126
+ for i, cultivar in enumerate(cultivars):
127
+ mask = wine_df['Cultivar'] == cultivar
128
+ plt.scatter(
129
+ wine_df.loc[mask, 'PC1'], wine_df.loc[mask, 'PC2'], # type: ignore
130
+ c=colors[i], alpha=0.6, s=70, label=cultivar
131
+ )
132
+
133
+ ellipse_coords = confidence_ellipse(
134
+ data=wine_df,
135
+ x='PC1',
136
+ y='PC2',
137
+ group_by='Cultivar',
138
+ conf_level=0.95,
139
+ robust=True,
140
+ distribution='hotelling'
141
+ )
142
+
143
+ for i, cultivar in enumerate(cultivars):
144
+ ellipse_data = ellipse_coords[ellipse_coords['Cultivar'] == cultivar]
145
+ plt.plot(
146
+ ellipse_data['x'], ellipse_data['y'],
147
+ color=colors[i], linewidth=1, linestyle='-', label=f'{cultivar} (95% CI)'
148
+ )
149
+
150
+ plt.xlim(-1000, 1000)
151
+ plt.ylim(-50, 60)
152
+ plt.xlabel(f'PC1 ({explained_var[0]*100:.2f}%)', fontsize=14, labelpad=10, fontweight='bold')
153
+ plt.ylabel(f'PC2 ({explained_var[1]*100:.2f}%)', fontsize=14, labelpad=10, fontweight='bold')
154
+ plt.title("PCA Scores with Cultivar Group Confidence Ellipses", fontsize=16, pad=10, fontweight='bold')
155
+ plt.legend(
156
+ loc='upper left', fontsize=10, frameon=True, framealpha=0.9,
157
+ edgecolor='black', shadow=True, facecolor='white', borderpad=1
158
+ )
159
+ plt.show()
160
+ ```
161
+
162
+ ![Hotelling Ellipse](https://raw.githubusercontent.com/ChristianGoueguel/pyEllipse/main/images/grouped_ellipses.png)
163
+
164
+ ### Example 3: Grouped 3D Confidence Ellipsoids
165
+
166
+ ```python
167
+ wine_df['PC1'] = pca_scores[:, 0]
168
+ wine_df['PC2'] = pca_scores[:, 1]
169
+ wine_df['PC3'] = pca_scores[:, 2]
170
+
171
+ colors = ['red', 'blue', 'green']
172
+ light_colors = ['lightcoral', 'lightblue', 'lightgreen']
173
+ cultivars = wine_df['Cultivar'].unique()
174
+
175
+ ellipse_coords = confidence_ellipse(
176
+ data=wine_df,
177
+ x='PC1',
178
+ y='PC2',
179
+ z='PC3',
180
+ group_by='Cultivar',
181
+ conf_level=0.95,
182
+ robust=True,
183
+ distribution='hotelling'
184
+ )
185
+
186
+ fig = plt.figure(figsize=(10, 6), facecolor='white')
187
+ ax = fig.add_subplot(111, projection='3d', facecolor='white')
188
+
189
+ for i, cultivar in enumerate(cultivars):
190
+ mask = wine_df['Cultivar'] == cultivar
191
+ ax.scatter(
192
+ wine_df.loc[mask, 'PC1'],
193
+ wine_df.loc[mask, 'PC2'],
194
+ wine_df.loc[mask, 'PC3'], # type: ignore
195
+ c=colors[i],
196
+ alpha=0.8,
197
+ s=50,
198
+ label=cultivar,
199
+ edgecolors='black',
200
+ linewidth=0.5
201
+ )
202
+
203
+ ellipse_data = ellipse_coords[ellipse_coords['Cultivar'] == cultivar]
204
+ n_points = int(np.sqrt(len(ellipse_data)))
205
+
206
+ x_2d = ellipse_data['x'].values.reshape(n_points, -1)
207
+ y_2d = ellipse_data['y'].values.reshape(n_points, -1)
208
+ z_2d = ellipse_data['z'].values.reshape(n_points, -1)
209
+
210
+ ax.plot_surface(
211
+ x_2d,
212
+ y_2d,
213
+ z_2d,
214
+ color=light_colors[i],
215
+ alpha=0.4,
216
+ linewidth=0,
217
+ antialiased=True
218
+ )
219
+
220
+ ax.set_xlabel(f'PC1 ({explained_var[0]*100:.2f}%)', fontsize=12, labelpad=5, fontweight='bold')
221
+ ax.set_ylabel(f'PC2 ({explained_var[1]*100:.2f}%)', fontsize=12, labelpad=5, fontweight='bold')
222
+ ax.set_zlabel(f'PC3 ({explained_var[2]*100:.2f}%)', fontsize=12, labelpad=1, fontweight='bold')
223
+ ax.set_title('3D PCA Scores with 95% Confidence Ellipsoids', fontsize=16, fontweight='bold')
224
+ ax.legend(
225
+ loc='upper right', fontsize=10, frameon=True, framealpha=0.9,
226
+ edgecolor='black', shadow=True, facecolor='white', borderpad=1
227
+ )
228
+ ax.grid(True, alpha=0.3, color='gray')
229
+ ax.view_init(elev=20, azim=65)
230
+ plt.tight_layout()
231
+ plt.show()
232
+ ```
233
+
234
+ ![Hotelling Ellipse](https://raw.githubusercontent.com/ChristianGoueguel/pyEllipse/main/images/3d_ellipsoids.png)
235
+
236
+ ## Key Differences Between Functions
237
+
238
+ | Feature | `hotelling_parameters` | `hotelling_coordinates` | `confidence_ellipse` |
239
+ |---------|----------------|-----------------|---------------------|
240
+ | __Input__ | Component scores | Component scores | Raw data |
241
+ | __Purpose__ | T² statistics | Plot coordinates | Plot coordinates |
242
+ | __Grouping__ | -- | -- | Yes |
243
+ | __Robust__ | -- | -- | Yes |
244
+ | __2D/3D__ | 2D only for ellipse params | Both | Both |
245
+ | __Distribution__ | Hotelling only | Hotelling only | Normal or Hotelling |
246
+ | __Use Case__ | Outlier detection, QC | Visualizing PCA | Exploratory data analysis |
247
+
248
+ ## When to Use Each Function
249
+
250
+ ### Use `hotelling_parameters` when:
251
+
252
+ - You need T² statistics for outlier detection
253
+ - You want confidence cutoff values
254
+ - You're performing quality control or process monitoring
255
+ - You need ellipse parameters (semi-axes lengths)
256
+
257
+ ### Use `hotelling_coordinates` when:
258
+
259
+ - You have PCA/PLS component scores
260
+ - You want to visualize confidence regions on score plots
261
+ - You need precise control over which components to plot
262
+ - You're creating publication-quality figures from multivariate models
263
+
264
+ ### Use `confidence_ellipse` when:
265
+
266
+ - You're working with raw data (not scores)
267
+ - You need to compare multiple groups
268
+ - You want robust estimation for outlier-resistant analysis
269
+ - You need flexibility in distribution choice (normal vs Hotelling)
270
+
271
+ ## References
272
+
273
+ 1. Hotelling, H. (1931). The generalization of Student's ratio. *Annals of Mathematical Statistics*, 2(3), 360-378.
274
+ 2. Brereton, R. G. (2016). Hotelling's T-squared distribution, its relationship to the F distribution and its use in multivariate space. *Journal of Chemometrics*, 30(1), 18-21.
275
+ 3. Raymaekers, J., & Rousseeuw, P. J. (2019). Fast robust correlation for high dimensional data. *Technometrics*, 63(2), 184-198.
276
+ 4. Jackson, J. E. (1991). *A User's Guide to Principal Components*. Wiley.
@@ -0,0 +1,31 @@
1
+ """
2
+ **Statistical confidence ellipses and Hotelling's T-squared statistic**
3
+
4
+ The pyEllipse library provides robust computational tools for generating and analyzing
5
+ confidence ellipses and ellipsoids in multivariate datasets. Built on rigorous statistical
6
+ foundations, it supports both classical normal-based confidence regions and Hotelling's
7
+ T-squared ellipses, delivering robust uncertainty quantification for small samples, outlier
8
+ detection, process control, and high-dimensional data exploration.
9
+ """
10
+
11
+ # Import main functions with their proper names
12
+ from .hotelling_parameters import hotelling_parameters
13
+ from .hotelling_coordinates import hotelling_coordinates
14
+ from .confidence_ellipse import confidence_ellipse
15
+
16
+ __all__ = [
17
+ "hotelling_parameters",
18
+ "hotelling_coordinates",
19
+ "confidence_ellipse",
20
+ ]
21
+
22
+ # Library metadata
23
+ __title__ = "pyEllipse"
24
+ __description__ = "Statistical confidence ellipses and Hotelling's T-squared ellipses"
25
+ __url__ = "https://github.com/ChristianGoueguel/pyEllipse"
26
+ __license__ = "MIT"
27
+ __version__ = "0.1.1"
28
+ __author__ = "Christian L. Goueguel"
29
+ __maintainer__ = "Christian L. Goueguel"
30
+ __credits__ = ["Christian L. Goueguel"]
31
+ __email__ = "christian.goueguel@gmail.com"