uQCme 0.3.0a0

Microbial Quality Control Dashboard

uQCme - Microbial Quality Control Tool

A comprehensive quality control (QC) tool for microbial sequencing data that provides both command-line processing and interactive web-based visualization capabilities.

Overview

uQCme consists of two main components:

1. CLI Tool (uqcme): A command-line interface that processes microbial sequencing QC data against configurable quality control rules. It determines QC outcomes (PASS/FAIL/WARNING) based on species-specific criteria.
2. Web Dashboard (uqcme-dashboard): An interactive Streamlit application for visualizing and exploring the QC results generated by the CLI tool.

Features

Core Functionality

• Species-specific QC rules: Support for numerous microbial species with tailored quality control criteria defined in QC_rules.tsv.
• Configurable QC tests: Define custom QC outcomes with priority-based rule conditions.
• Flexible rule engine: Regex-based validation with threshold checks for various QC metrics.
• Robust Validation: Data validation using Pandera schemas and Pydantic configuration management.
• Interactive dashboard: Web-based visualization with filtering, sorting, and detailed sample exploration.
• Comprehensive logging: Detailed logging system with both file and console output.

Supported Species

The tool handles specific QC rules for the following species (as defined in the default QC_rules.tsv):

• Acinetobacter baumannii
• Campylobacter coli
• Campylobacter jejuni
• Enterobacter spp.
• Enterococcus faecium
• Escherichia coli
• Haemophilus influenzae
• Helicobacter pylori
• Klebsiella pneumoniae
• Mycoplasma genitalium
• Neisseria gonorrhoeae
• Pseudomonas aeruginosa
• Salmonella enterica
• Shigella flexneri
• Shigella sonnei
• Staphylococcus aureus
• Streptococcus pneumoniae

Note: "all" rules apply to any species not explicitly listed or as general baseline checks.

QC Metrics

• Assembly statistics (N50, contigs, genome size)
• CheckM completeness and contamination
• Species identification validation
• Coverage depth analysis
• Quality score assessments

Installation

uQCme is a Python package. You can install it directly from the source:

git clone https://github.com/ssi-dk/uQCme.git
cd uQCme
pip install .

Usage

1. CLI Tool (uqcme)

The CLI tool reads your sequencing run data and applies the QC rules defined in your configuration.

Basic Usage (using defaults):

uqcme

This will use the bundled default configuration and look for input files in the current directory as specified in the default config.

Override Data Source: You can process a specific data file or API endpoint without creating a full config file:

# Process a local file
uqcme --file path/to/my_run_data.tsv

# Process data from an API
uqcme --api-call "https://api.example.com/runs/123"

Custom Configuration: For full control over rules, tests, and mappings, provide a custom configuration file:

uqcme --config my_config.yaml

What it does:

1. Loads run data (from file, API, or defaults).
2. Loads QC rules (QC_rules.tsv) and QC tests (QC_tests.tsv).
   • Note: If local rule files are missing, it falls back to bundled defaults.
3. Evaluates each sample against the rules for its species.
4. Determines the final QC outcome (e.g., PASS, FAIL).
5. Outputs a new TSV file containing the original data plus the QC results (e.g., uQCme_run_data.tsv).

2. Web Dashboard (uqcme-dashboard)

The dashboard visualizes the results generated by the CLI tool.

Command:

uqcme-dashboard --config config.yaml

What it does:

1. Launches a local web server (Streamlit).
2. Loads the processed data (from file or API) as specified in config.yaml.
3. Provides an interactive interface to:
   • View summary statistics.
   • Filter samples by QC outcome, species, or specific metrics.
   • Inspect individual sample details and failed rules.
   • Visualize metric distributions.

Configuration

The tool is driven by a config.yaml file. This file defines:

• Input paths: Locations of your data, mapping file, and QC rules/tests.
• Output paths: Where to save the results and logs.
• App settings: Dashboard configuration (server port, UI preferences).

Key Input Files:

• run_data.tsv: Your raw sequencing metrics.
• mapping.yaml: Maps your data columns to the tool's internal field names.
• QC_rules.tsv: Defines the specific thresholds and checks for each species.
• QC_tests.tsv: Defines how rule failures translate into overall QC outcomes.

See the input/example/ directory for template files.

Output Files

1. QC Results (uQCme_run_data.tsv)

Enhanced run data with QC outcomes:

• Original sample data
• Failed rules per sample
• Assigned QC outcome with priority
• Color coding for visualization

2. Rule Warnings (uQCme_rule_warnings.tsv)

Detailed log of rule evaluation issues:

• Skipped rules and reasons
• Data validation warnings
• Processing statistics

Dashboard Features

Data Overview

• Interactive data table with filtering and sorting
• Priority-based color coding of QC outcomes
• Summary statistics and sample counts

Sample Details

• Detailed view of individual sample QC results
• Failed rules and thresholds
• Interactive metric exploration

Visualization

• Plotly-based interactive charts
• Customizable metric comparisons
• Species-specific analysis views

Filtering and Search

• Dynamic filtering by QC outcome, species, and metrics
• Search functionality across all data columns
• Export capabilities for filtered datasets

Advanced Usage

Custom QC Rules

Create custom QC rules by editing QC_rules.tsv:

rule_id	species	qc_tool	qc_metric	validation_type	threshold	column_name
CUSTOM1	Escherichia coli	Assembly	N50	threshold	>=50000	n50
CUSTOM2	all	CheckM	Completeness	threshold	>=90	completeness

Species-Specific Tests

Define new QC tests in QC_tests.tsv:

outcome_id	outcome_name	description	priority	rule_conditions	action_required
FAIL_CUSTOM	Fail - Custom QC	Custom quality control failed	3	failed_rules_contain:CUSTOM1,CUSTOM2	reject

Development

This project uses pixi for dependency management and development workflow.

To set up the development environment:

pixi install

To run tests:

pixi run pytest

Project Structure

uQCme/
├── src/
│   └── uQCme/
│       ├── __init__.py
│       ├── app.py          # Streamlit web dashboard
│       ├── cli.py          # CLI processing tool
│       ├── plot.py         # Plotting utilities
│       └── utils.py        # Shared utilities
├── config.yaml             # Configuration file
├── input/
│   └── example/            # Example input files
├── output/                 # Generated results
├── log/                    # Application logs
└── tests/                  # Unit tests

Running Tests

python -m pytest tests/

Contributing

1. Fork the repository
2. Create a feature branch
3. Make your changes
4. Add tests for new functionality
5. Submit a pull request

Troubleshooting

Common Issues

1. Missing input files: Ensure all required input files exist and paths in config.yaml are correct
2. Rule validation errors: Check that QC rules reference valid column names in your data
3. Dashboard not loading: Verify Streamlit installation and port availability

Logging

Check the log file (./log/log.tsv) for detailed processing information:

tail -f ./log/log.tsv

Citation

If you use uQCme in your research, please cite:

uQCme: A Comprehensive Quality Control Tool for Microbial Sequencing Data
SSI-DK, 2025

License

This project is licensed under the MIT License - see the LICENSE file for details.

Support

For questions, issues, or feature requests:

• Create an issue on GitHub
• Contact: Kim Ng ([e-mail])

Changelog

See CHANGELOG.md for version history and updates.