Metadata-Version: 2.5
Name: chromhandler
Version: 0.10.10
Summary: Tool for processing chromatography data
Project-URL: Homepage, https://github.com/haeussma/chromhandler
Author-email: haeussma <83341109+haeussma@users.noreply.github.com>
License: MIT
License-File: LICENSE
Requires-Python: <3.14,>=3.11
Requires-Dist: calipytion<2.0.0,>=1.0.2
Requires-Dist: loguru<1,>=0.7
Requires-Dist: matplotlib>=3.9
Requires-Dist: numpy<=2.1.0
Requires-Dist: pandas>=2
Requires-Dist: pydantic<3,>=2
Requires-Dist: pyenzyme<3.0.0,>=2.2.1
Requires-Dist: requests>=2.31
Requires-Dist: rich<15,>=13.7
Description-Content-Type: text/markdown

# ChromHandler - handling time-resolved chromatographic data

![PyPI - Version](https://img.shields.io/pypi/v/chromhandler)
[![Documentation](https://img.shields.io/badge/Documentation-Online-blue.svg)](https://fairchemistry.github.io/Chromhandler/)

## ℹ️ Overview

`chromhandler` is Python software that streamlines data acquisition and processing for chromatographic time-course reaction data.

It is built to reduce manual spreadsheet work and to support reproducible processing workflows from exported chromatograms to structured, analysis-ready datasets. The package focuses on handling chromatographic measurements, organizing metadata, aggregating peaks of interest, and preparing consistent outputs for downstream analysis.

## 🚀 Upcoming release

A new version planned for **04/2026** will introduce:

- **📊 Joint analysis of chromatographic time-course data**  
  Improved support for processing related chromatograms as coherent experimental series.

- **🧩 Streamlined creation of analysis-ready datasets**  
  Faster transition from exported chromatograms to structured datasets ready for downstream evaluation.

- **🎲 Probabilistic peak processing**  
  Support for uncertainty-aware peak handling and more robust area estimation.

## ⭐ Key features

- **🌱 Low-friction chromatogram processing**  
  Process exported chromatographic data without relying on spreadsheet-based workflows.

- **🧪 Metadata enrichment**  
  Attach reaction metadata such as time, temperature, pH, or sample information to chromatographic measurements.

- **📈 Calibration support**  
  Create and apply calibration curves for consistent concentration estimation across experiments.

- **⏱️ Time-course data handling**  
  Organize chromatographic reaction series in a structured and reproducible way.

- **📂 FAIR-oriented outputs**  
  Prepare datasets for transparent reuse and downstream integration.

## 🛠️ Installation

Install from PyPI:

```bash
pip install chromhandler
