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editor_options: | ||
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--- | ||
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# SplineOmics | ||
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`SplineOmics`: | ||
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<figure> | ||
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<img src="man/figures/SplineOmics_graphical_abstract.png" alt="Graphical Abstract of SplineOmics Workflow"/> | ||
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<figcaption aria-hidden="true"> | ||
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Graphical Abstract of SplineOmics Workflow | ||
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</figcaption> | ||
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<img src="man/figures/SplineOmics_graphical_abstract.png" | ||
alt="Graphical Abstract of SplineOmics Workflow" /> | ||
<figcaption aria-hidden="true">Graphical Abstract of SplineOmics | ||
Workflow</figcaption> | ||
</figure> | ||
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## Table of Contents | ||
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- [📘 Introduction](#-introduction) | ||
- [🔧 Installation](#-installation) | ||
- [🐳 Docker Container](#-docker-container) | ||
- [🛠️️ Usage](#-usage) | ||
- [Tutorial](#-tutorial) | ||
- [Functions in Depth](#-functions-in-depth) | ||
- [RNA-seq and Glycan Data](#-rna-seq-and-glycan-data) | ||
- [📦 Dependencies](#-dependencies) | ||
- [📚 Further Reading](#-further-reading) | ||
- [❓ Getting Help](#-getting-help) | ||
- [🤝 Contributing](#-contributing) | ||
- [💬 Feedback](#-feedback) | ||
- [📜 License](#-license) | ||
- [🎓 Citation](#-citation) | ||
- [🌟 Contributors](#-contributors) | ||
- [🙏 Acknowledgements](#-ackknowledgements) | ||
- [📘 Introduction](#-introduction) | ||
- [🔧 Installation](#-installation) | ||
- [🐳 Docker Container](#-docker-container) | ||
- [▶️ Usage](#-usage) | ||
- [Tutorial](#-tutorial) | ||
- [Functions in Depth](#-functions-in-depth) | ||
- [RNA-seq and Glycan Data](#-rna-seq-and-glycan-data) | ||
- [📦 Dependencies](#-dependencies) | ||
- [📚 Further Reading](#-further-reading) | ||
- [❓ Getting Help](#-getting-help) | ||
- [🤝 Contributing](#-contributing) | ||
- [💬 Feedback](#-feedback) | ||
- [📜 License](#-license) | ||
- [🎓 Citation](#-citation) | ||
- [🌟 Contributors](#-contributors) | ||
- [🙏 Acknowledgements](#-acknowledgements) | ||
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## 📘 Introduction | ||
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@@ -87,40 +77,39 @@ abundances, etc.). | |
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With `SplineOmics`, you can: | ||
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- **Automatically perform exploratory data analysis:** | ||
- **Automatically perform exploratory data analysis:** | ||
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The `explore_data()` function generates an HTML report, containing | ||
various plots, such as density, PCA, and correlation heatmap plots | ||
([example | ||
report](https://csbg.github.io/SplineOmics_html_reports/explore_data_PTX.html)). | ||
The `explore_data()` function generates an HTML report, containing | ||
various plots, such as density, PCA, and correlation heatmap plots | ||
([example | ||
report](https://csbg.github.io/SplineOmics_html_reports/explore_data_PTX.html)). | ||
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- **Explore various limma splines hyperparameters:** | ||
- **Explore various limma splines hyperparameters:** | ||
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Test combinations of hyperparameters, such as different datasets, | ||
`limma` design formulas, degrees of freedom, p-value thresholds, | ||
etc., using the `screen_limma_hyperparams()` function ([example | ||
report](https://csbg.github.io/SplineOmics_html_reports/Data_1_Design_1_vs_Data_1_Design_2_PTX.html) | ||
(along with the | ||
[encoding](https://csbg.github.io/SplineOmics_html_reports/hyperparams_screen_meta_table.html))). | ||
Test combinations of hyperparameters, such as different datasets, | ||
`limma` design formulas, degrees of freedom, p-value thresholds, etc., | ||
using the `screen_limma_hyperparams()` function ([example | ||
report](https://csbg.github.io/SplineOmics_html_reports/Data_1_Design_1_vs_Data_1_Design_2_PTX.html) | ||
(along with the | ||
[encoding](https://csbg.github.io/SplineOmics_html_reports/hyperparams_screen_meta_table.html))). | ||
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- **Perform limma spline analysis:** | ||
- **Perform limma spline analysis:** | ||
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Use the `run_limma_splines()` function to perform the `limma` | ||
analysis with splines once the optimal hyperparameters are | ||
identified ([example | ||
report](https://csbg.github.io/SplineOmics_html_reports/create_limma_report_PTX.html)). | ||
Use the `run_limma_splines()` function to perform the `limma` analysis | ||
with splines once the optimal hyperparameters are identified ([example | ||
report](https://csbg.github.io/SplineOmics_html_reports/create_limma_report_PTX.html)). | ||
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- **Cluster significant features:** | ||
- **Cluster significant features:** | ||
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Cluster the significant features (hits) identified in the spline | ||
analysis with the `cluster_hits()` function ([example | ||
report](https://csbg.github.io/SplineOmics_html_reports/report_clustered_hits_PTX.html)). | ||
Cluster the significant features (hits) identified in the spline | ||
analysis with the `cluster_hits()` function ([example | ||
report](https://csbg.github.io/SplineOmics_html_reports/report_clustered_hits_PTX.html)). | ||
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- **Run GSEA with clustered hits:** | ||
- **Run GSEA with clustered hits:** | ||
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Perform gene set enrichment analysis (GSEA) using the clustered hits | ||
with the `create_gsea_report()` function ([example | ||
report](https://csbg.github.io/SplineOmics_html_reports/create_gsea_report_PTX.html)). | ||
Perform gene set enrichment analysis (GSEA) using the clustered hits | ||
with the `create_gsea_report()` function ([example | ||
report](https://csbg.github.io/SplineOmics_html_reports/create_gsea_report_PTX.html)). | ||
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## 🔧 Installation | ||
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#### Prerequisites | ||
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- Ensure **R** is installed on your system. If not, download and | ||
install it from [CRAN](https://cran.r-project.org/). | ||
- **RStudio** is recommended for a more user-friendly experience | ||
with R. Download and install RStudio from | ||
[posit.co](https://posit.co/download/rstudio-desktop/). | ||
- Ensure **R** is installed on your system. If not, download and install | ||
it from [CRAN](https://cran.r-project.org/). | ||
- **RStudio** is recommended for a more user-friendly experience with R. | ||
Download and install RStudio from | ||
[posit.co](https://posit.co/download/rstudio-desktop/). | ||
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#### Installation Steps | ||
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Copy and paste the following code block into your R console or run it as | ||
a script. | ||
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> **Note for Windows Users:**\ | ||
> **Note for Windows Users:** | ||
> Please read the text below this code block before running it! | ||
``` r | ||
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this | ||
[vignette](https://csbg.github.io/SplineOmics/articles/Docker_permission_denied.html). | ||
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## 🛠️️ Usage | ||
## ▶ Usage | ||
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### Tutorial | ||
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packages installed, ensure they are up to date to avoid any | ||
compatibility issues. | ||
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- **ComplexHeatmap**: For creating complex heatmaps with advanced | ||
features. | ||
- **base64enc**: For encoding/decoding base64. | ||
- **dendextend**: For extending `dendrogram` objects in R, allowing | ||
for easier manipulation of dendrograms. | ||
- **dplyr**: For data manipulation. | ||
- **ggplot2**: For creating elegant data visualizations using the | ||
grammar of graphics. | ||
- **ggrepel**: For better label placement in ggplot2. | ||
- **here**: For constructing paths to your project’s files. | ||
- **limma**: For linear models for microarray data. | ||
- **openxlsx**: For reading, writing, and editing xlsx files. | ||
- **patchwork**: For combining multiple ggplot objects into a single | ||
plot. | ||
- **pheatmap**: For creating pretty heatmaps. | ||
- **progress**: For adding progress bars to your loops and apply | ||
functions. | ||
- **purrr**: For functional programming tools. | ||
- **rlang**: For tools to work with core language features of R and | ||
R’s base types. | ||
- **scales**: For scale functions for visualization. | ||
- **tibble**: For creating tidy data frames that are easy to work | ||
with. | ||
- **tidyr**: For tidying your data. | ||
- **zip**: For combining files into a zip file. | ||
- **ComplexHeatmap**: For creating complex heatmaps with advanced | ||
features. | ||
- **base64enc**: For encoding/decoding base64. | ||
- **dendextend**: For extending `dendrogram` objects in R, allowing for | ||
easier manipulation of dendrograms. | ||
- **dplyr**: For data manipulation. | ||
- **ggplot2**: For creating elegant data visualizations using the | ||
grammar of graphics. | ||
- **ggrepel**: For better label placement in ggplot2. | ||
- **here**: For constructing paths to your project’s files. | ||
- **limma**: For linear models for microarray data. | ||
- **openxlsx**: For reading, writing, and editing xlsx files. | ||
- **patchwork**: For combining multiple ggplot objects into a single | ||
plot. | ||
- **pheatmap**: For creating pretty heatmaps. | ||
- **progress**: For adding progress bars to your loops and apply | ||
functions. | ||
- **purrr**: For functional programming tools. | ||
- **rlang**: For tools to work with core language features of R and R’s | ||
base types. | ||
- **scales**: For scale functions for visualization. | ||
- **tibble**: For creating tidy data frames that are easy to work with. | ||
- **tidyr**: For tidying your data. | ||
- **zip**: For combining files into a zip file. | ||
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### Optional dependencies | ||
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These dependencies are only necessary for some functions: | ||
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- **edgeR**: For preprocessing RNA-seq data in the run_limma_splines() | ||
fun. | ||
- **clusterProfiler**: For the run_gsea() function (gene set | ||
enrichment). | ||
- **rstudioapi**: For the open_tutorial() and open_template() | ||
functions. | ||
- **edgeR**: For preprocessing RNA-seq data in the run_limma_splines() | ||
fun. | ||
- **clusterProfiler**: For the run_gsea() function (gene set | ||
enrichment). | ||
- **rstudioapi**: For the open_tutorial() and open_template() functions. | ||
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### R Version | ||
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- Recommended: R 4.3.3 or higher | ||
- Recommended: R 4.3.3 or higher | ||
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## 📚 Further Reading | ||
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For those interested in gaining a deeper understanding of the | ||
methodologies used in the `SplineOmics` package, here are some | ||
recommended publications: | ||
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- **Splines**: To learn more about splines, you can refer to this | ||
[review](https://doi.org/10.1186/s12874-019-0666-3). | ||
- **Splines**: To learn more about splines, you can refer to this | ||
[review](https://doi.org/10.1186/s12874-019-0666-3). | ||
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- **limma**: To read about the `limma` R package, you can refer to | ||
this [publication](https://doi.org/10.1093/nar/gkv007). | ||
- **limma**: To read about the `limma` R package, you can refer to this | ||
[publication](https://doi.org/10.1093/nar/gkv007). | ||
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- **Hierarchical clustering**: To get information about hierarchical | ||
clustering, you can refer to this [web | ||
article](https://towardsdatascience.com/understanding-the-concept-of-hierarchical-clustering-technique-c6e8243758ec). | ||
- **Hierarchical clustering**: To get information about hierarchical | ||
clustering, you can refer to this [web | ||
article](https://towardsdatascience.com/understanding-the-concept-of-hierarchical-clustering-technique-c6e8243758ec). | ||
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## ❓ Getting Help | ||
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We appreciate your feedback! Besides raising issues, you can provide | ||
feedback in the following ways: | ||
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- **Direct Email**: Send your feedback directly to [Thomas | ||
Rauter](mailto:[email protected]). | ||
- **Direct Email**: Send your feedback directly to [Thomas | ||
Rauter](mailto:[email protected]). | ||
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- **Anonymous Feedback**: Use [this Google | ||
Form](https://forms.gle/jocMXSxLf3GrGBdT9) to provide anonymous | ||
feedback by answering questions. | ||
- **Anonymous Feedback**: Use [this Google | ||
Form](https://forms.gle/jocMXSxLf3GrGBdT9) to provide anonymous | ||
feedback by answering questions. | ||
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Your feedback helps us improve the project and address any issues you | ||
may encounter. | ||
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## 🌟 Contributors | ||
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- [Thomas-Rauter](https://github.com/Thomas-Rauter) - 🚀 Wrote the | ||
package, developed the approach together with VSchaepertoens under | ||
guidance from nfortelny and skafdasschaf. | ||
- [nfortelny](https://github.com/nfortelny) - 🧠 Principal | ||
Investigator, provided guidance and support for the overall | ||
approach. | ||
- [skafdasschaf](https://github.com/skafdasschaf) - 🔧 Helped | ||
reviewing code, delivered improvement suggestions and scientific | ||
guidance to develop the approach. | ||
- [VSchaepertoens](https://github.com/VSchaepertoens) - ✨ Developed | ||
one internal plotting function, as well as some code for the | ||
exploratory data analysis plots, and the overall approach together | ||
with Thomas-Rauter. | ||
- [Thomas-Rauter](https://github.com/Thomas-Rauter) - 🚀 Wrote the | ||
package, developed the approach together with VSchaepertoens under | ||
guidance from nfortelny and skafdasschaf. | ||
- [nfortelny](https://github.com/nfortelny) - 🧠 Principal Investigator, | ||
provided guidance and support for the overall approach. | ||
- [skafdasschaf](https://github.com/skafdasschaf) - 🔧 Helped reviewing | ||
code, delivered improvement suggestions and scientific guidance to | ||
develop the approach. | ||
- [VSchaepertoens](https://github.com/VSchaepertoens) - ✨ Developed one | ||
internal plotting function, as well as some code for the exploratory | ||
data analysis plots, and the overall approach together with | ||
Thomas-Rauter. | ||
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## 🙏 Acknowledgements | ||
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|