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2 changes: 1 addition & 1 deletion .github/workflows/build-windows-executable-app.yaml
Original file line number Diff line number Diff line change
Expand Up @@ -336,7 +336,7 @@ jobs:

Reach out to us:
- Join our Discord server for support and community discussions: https://discord.com/invite/4TAGhqJ7s5
- Contribute or stay updated with the latest OpenMS web app developments on GitHub: https://github.com/OpenMS/streamlit-template
- Contribute or stay updated with the latest OpenDDA developments on GitHub: https://github.com/OpenMS/quantms-web
- Visit our website for more information: https://openms.de/

Thank you for using ${{ env.APP_NAME }}!
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2 changes: 1 addition & 1 deletion .github/workflows/test-win-exe-w-embed-py.yaml
Original file line number Diff line number Diff line change
Expand Up @@ -84,7 +84,7 @@ jobs:

Reach out to us:
- Join our Discord server for support and community discussions: https://discord.com/invite/4TAGhqJ7s5
- Contribute or stay updated with the latest OpenMS web app developments on GitHub: https://github.com/OpenMS/streamlit-template
- Contribute or stay updated with the latest OpenDDA developments on GitHub: https://github.com/OpenMS/quantms-web
- Visit our website for more information: https://openms.de/

Thank you for using ${{ env.APP_NAME }}!
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2 changes: 1 addition & 1 deletion Dockerfile
Original file line number Diff line number Diff line change
Expand Up @@ -14,7 +14,7 @@ ARG PORT=8501
# Streamlit app GitHub user name (to download artifact from).
ARG GITHUB_USER=OpenMS
# Streamlit app GitHub repository name (to download artifact from).
ARG GITHUB_REPO=streamlit-template
ARG GITHUB_REPO=quantms-web

USER root

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2 changes: 1 addition & 1 deletion Dockerfile.arm
Original file line number Diff line number Diff line change
Expand Up @@ -14,7 +14,7 @@ ARG PORT=8501
# Streamlit app GitHub user name (to download artifact from).
ARG GITHUB_USER=OpenMS
# Streamlit app GitHub repository name (to download artifact from).
ARG GITHUB_REPO=streamlit-template
ARG GITHUB_REPO=quantms-web

USER root

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2 changes: 1 addition & 1 deletion Dockerfile_simple
Original file line number Diff line number Diff line change
Expand Up @@ -14,7 +14,7 @@ ARG PORT=8501
# Streamlit app GitHub user name (to download artifact from).
ARG GITHUB_USER=OpenMS
# Streamlit app GitHub repository name (to download artifact from).
ARG GITHUB_REPO=streamlit-template
ARG GITHUB_REPO=quantms-web


# Step 1: set up a sane build system
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2 changes: 1 addition & 1 deletion Dockerfile_simple.arm
Original file line number Diff line number Diff line change
Expand Up @@ -14,7 +14,7 @@ ARG PORT=8501
# Streamlit app GitHub user name (to download artifact from).
ARG GITHUB_USER=OpenMS
# Streamlit app GitHub repository name (to download artifact from).
ARG GITHUB_REPO=streamlit-template
ARG GITHUB_REPO=quantms-web


# Step 1: set up a sane build system
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70 changes: 47 additions & 23 deletions content/quickstart.py
Original file line number Diff line number Diff line change
@@ -1,8 +1,8 @@
"""
DDA Label-Free Quantification Quickstart Page.
OpenDDA Quickstart Page.

This page provides an overview of the DDA-LFQ workflow and guidance
for getting started with the analysis pipeline.
This page provides an overview of the DDA quantification workflows (label-free
and TMT) and guidance for getting started with the analysis pipeline.
"""

from pathlib import Path
Expand All @@ -27,7 +27,7 @@ def render_windows_download_box(app_bytes: bytes) -> None:
st.markdown(
"""
<h4 style="color: #6c757d; margin-bottom: 1rem; font-size: 1.3rem; font-weight: 600; text-align: center;">
Want to run free and open DDA analysis offline?
Want to run free and open DDA analysis (LFQ and TMT) offline?
</h4>
""",
unsafe_allow_html=True,
Expand Down Expand Up @@ -93,40 +93,64 @@ def render_windows_download_box(app_bytes: bytes) -> None:

page_setup(page="main")

st.markdown("# DDA Label-Free Quantification")
st.markdown("# OpenDDA: DDA Quantitative Proteomics")

windows_app_bytes = load_windows_app_bytes()
if windows_app_bytes is not None:
render_windows_download_box(windows_app_bytes)

st.markdown(
"""
This application provides a complete **Data-Dependent Acquisition (DDA) Label-Free Quantification**
workflow for proteomics data analysis. The pipeline enables identification and quantification of
proteins from mass spectrometry data.
This application provides complete **Data-Dependent Acquisition (DDA)** quantification
workflows for proteomics data analysis. The pipeline identifies and quantifies proteins
from mass spectrometry data and supports two quantification strategies:

- **Label-free quantification (LFQ)**: compares precursor intensities across separately measured samples.
- **Tandem Mass Tag (TMT) quantification**: compares reporter-ion intensities of multiplexed samples measured in one run.

Choose the **Analysis Mode** (LFQ or TMT) on the Configure page.
"""
)

st.info(
"This workflow mirrors the **dda-lfq branch of the quantms Nextflow workflow** "
"for DDA-based label-free quantification."
"These workflows mirror the **DDA-LFQ and DDA-ISO (TMT) branches of the quantms Nextflow workflow**."
)

st.markdown("## Workflow Overview")

st.markdown(
"""
The analysis pipeline consists of five main stages:

| Stage | Tool | Description |
|-------|------|-------------|
| **1. Identification** | Comet | Peptide-spectrum matching using a protein database |
| **2. Rescoring** | Percolator | Statistical validation using machine learning |
| **3. Filtering** | IDFilter | FDR-controlled filtering of identifications |
| **4. Quantification** | ProteomicsLFQ | Label-free quantification across samples |
| **5. Statistical Analysis** | Built-in | Volcano plots, PCA, and heatmaps |
lfq_col, tmt_col = st.columns(2)

with lfq_col:
st.markdown(
"""
### Label-free (LFQ)

| Stage | Tool |
|-------|------|
| **1. Identification** | Comet |
| **2. Rescoring** | Percolator |
| **3. Filtering** | IDFilter |
| **4. Quantification** | ProteomicsLFQ |
| **5. Statistical Analysis** | Built-in |
"""
)
)

with tmt_col:
st.markdown(
"""
### TMT

| Stage | Tool |
|-------|------|
| **1. Reporter extraction** | IsobaricAnalyzer |
| **2. Identification** | Comet |
| **3. Rescoring** | Percolator |
| **4. Filtering** | IDFilter |
| **5. Protein inference** | ProteinInference |
| **6. Quantification** | ProteinQuantifier |
| **7. Statistical Analysis** | Built-in |
"""
)

st.markdown("## Getting Started")

Expand All @@ -143,7 +167,7 @@ def render_windows_download_box(app_bytes: bytes) -> None:
st.markdown(
"""
### 2. Configure Parameters
Set up search parameters, sample groups, and analysis settings.
Choose LFQ or TMT, then set up search parameters, sample groups (or TMT channels), and analysis settings.
"""
)
st.page_link("content/workflow_configure.py", label="Go to Configure", icon="⚙️")
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4 changes: 2 additions & 2 deletions settings.json
Original file line number Diff line number Diff line change
@@ -1,8 +1,8 @@
{
"app-name": "quantms-web (DDA-LFQ)",
"app-name": "OpenDDA",
"github-user": "OpenMS",
"version": "1.1",
"repository-name": "streamlit-template",
"repository-name": "quantms-web",
"legal_links": {
"impressum": "https://openms.de/impressum",
"privacy": "https://openms.de/privacy",
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