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sorenwacker committed Jul 30, 2024
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92 changes: 84 additions & 8 deletions gui/index.html
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</li>

<li class="md-nav__item">
<a href="#pca" class="md-nav__link">
<a href="#principal-component-analysis-pca" class="md-nav__link">
<span class="md-ellipsis">
PCA
Principal Component Analysis (PCA)
</span>
</a>

<nav class="md-nav" aria-label="Principal Component Analysis (PCA)">
<ul class="md-nav__list">

<li class="md-nav__item">
<a href="#example-pca-colored-by-sample-label-ie-biological-organism-using-z-scores" class="md-nav__link">
<span class="md-ellipsis">
Example: PCA colored by sample label (i.e. biological organism) using z-scores
</span>
</a>

</li>

</ul>
</nav>

</li>

<li class="md-nav__item">
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</span>
</a>

<nav class="md-nav" aria-label="Plotting">
<ul class="md-nav__list">

<li class="md-nav__item">
<a href="#example-compare-z-scaled-peak_area_top3-for-between-lc-columns-for-all-metabolites" class="md-nav__link">
<span class="md-ellipsis">
Example: Compare z-scaled peak_area_top3 for between LC columns for all metabolites.
</span>
</a>

</li>

</ul>
</nav>

</li>

</ul>
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</li>

<li class="md-nav__item">
<a href="#pca" class="md-nav__link">
<a href="#principal-component-analysis-pca" class="md-nav__link">
<span class="md-ellipsis">
Principal Component Analysis (PCA)
</span>
</a>

<nav class="md-nav" aria-label="Principal Component Analysis (PCA)">
<ul class="md-nav__list">

<li class="md-nav__item">
<a href="#example-pca-colored-by-sample-label-ie-biological-organism-using-z-scores" class="md-nav__link">
<span class="md-ellipsis">
PCA
Example: PCA colored by sample label (i.e. biological organism) using z-scores
</span>
</a>

</li>

</ul>
</nav>

</li>

<li class="md-nav__item">
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</span>
</a>

<nav class="md-nav" aria-label="Plotting">
<ul class="md-nav__list">

<li class="md-nav__item">
<a href="#example-compare-z-scaled-peak_area_top3-for-between-lc-columns-for-all-metabolites" class="md-nav__link">
<span class="md-ellipsis">
Example: Compare z-scaled peak_area_top3 for between LC columns for all metabolites.
</span>
</a>

</li>

</ul>
</nav>

</li>

</ul>
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type has been defined in the type column of the metadata table. </p>
<p>The checkbox can be used to create a dense view. If the box is unchecked the output will be visually grouped into an individual section for each metabolite.</p>
<p>The plots are interactive. You can switch off labels, zoom in on particular areas of interest, or hover the mouse cursor over a datapoint to get more information about underlying sample and/or target.</p>
<h2 id="pca">PCA</h2>
<h2 id="principal-component-analysis-pca">Principal Component Analysis (PCA)</h2>
<ul>
<li>Perform Principal Component Analysis (PCA)</li>
<li>Plot projections to first N principal components</li>
<li>Contributions of original variables to each component.</li>
</ul>
<p>Principal Component Analysis (PCA) is a statistical technique used to reduce the dimensionality of a dataset while preserving as much variability (information) as possible. It transforms the original data into a new coordinate system where the greatest variances by any projection of the data come to lie on the first coordinates called principal components.</p>
<p><strong>Principal Components</strong></p>
<ul>
<li><strong>Definition</strong>: Principal components are the new set of axes in the transformed feature space. They are linear combinations of the original features.</li>
<li><strong>Purpose</strong>: These components are ordered by the amount of variance they explain from the data. The first principal component explains the most variance, the second the second most, and so on.</li>
</ul>
<p><strong>Cumulative Explained Variance</strong></p>
<ul>
<li><strong>Definition</strong>: The cumulative explained variance is the sum of the explained variances of the principal components up to a given component. It indicates the proportion of the total variance in the dataset that is accounted for by the principal components.</li>
<li><strong>Purpose</strong>: This helps in deciding how many principal components to keep by showing how much of the total variance is captured as you include more components.</li>
</ul>
<p><strong>PCA Loadings</strong></p>
<ul>
<li><strong>Definition</strong>: PCA loadings represent the coefficients of the linear combination of the original variables that define each principal component. They indicate the contribution of each original feature to the principal components.</li>
<li><strong>Purpose</strong>: Loadings help in understanding the importance of each feature in the principal components and how they contribute to the variance explained by each component.</li>
</ul>
<h3 id="example-pca-colored-by-sample-label-ie-biological-organism-using-z-scores">Example: PCA colored by sample label (i.e. biological organism) using z-scores</h3>
<p><img alt="PCA" src="../image/pca.png" title="Principal Components Analysis" /></p>
<h2 id="hierarchical-clustering">Hierarchical clustering</h2>
<p>Hierarchical clustering is a technique for cluster analysis that seeks to build a hierarchy of clusters. It can be divided into two main types: <strong>agglomerative</strong> and <strong>divisive</strong>. MINT uses agglomerative hierarchical clustering, also known as bottom-up clustering, starts with each data point as a separate cluster and iteratively merges the closest clusters until all points are in a single cluster or a stopping criterion is met.</p>
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<li>Scatter plots</li>
<li>and more...</li>
</ul>
<p><img alt="Plot setting" src="../image/plotting_settings.png" title="Plot settings" /></p>
<p><img alt="Bar plot" src="../image/plotting_results_bar.png" title="Bar plot" /></p>
<p><img alt="Boxen plot" src="../image/plotting_results_boxen.png" title="Boxen plot" /></p>
<h3 id="example-compare-z-scaled-peak_area_top3-for-between-lc-columns-for-all-metabolites">Example: Compare z-scaled peak_area_top3 for between LC columns for all metabolites.</h3>
<p><img alt="" src="../image/plotting-example-1.png" /></p>



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2 changes: 1 addition & 1 deletion search/search_index.json

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