From 847268e746e0db790aca2ad90cb4a6845b0bf06a Mon Sep 17 00:00:00 2001 From: =?UTF-8?q?Max=20H=C3=A4u=C3=9Fler?= Date: Mon, 16 Sep 2024 10:54:22 +0200 Subject: [PATCH] Update README.md --- README.md | 3 ++- 1 file changed, 2 insertions(+), 1 deletion(-) diff --git a/README.md b/README.md index 666b20d..722339d 100644 --- a/README.md +++ b/README.md @@ -1,9 +1,10 @@ # Chromatopy [![Documentation](https://img.shields.io/badge/Documentation-Online-blue.svg)](https://fairchemistry.github.io/chromatopy/) -[![Tests](https://github.com/FAIRChemistry/chromatopy/actions/workflows/tests.yaml/badge.svg)](https://github.com/FAIRChemistry/chromatopy/actions/workflows/run_tests.yaml) +[![Tests](https://github.com/FAIRChemistry/chromatopy/actions/workflows/run_tests.yaml/badge.svg)](https://github.com/FAIRChemistry/chromatopy/actions/workflows/run_tests.yaml) [![PyPI version](https://badge.fury.io/py/chromatopy.svg)](https://badge.fury.io/py/chromatopy) + ## ℹ️ Overview `chromatopy` is a Python package which aims to streamline the data processing and analysis of chromatographic reaction data. It allows to process raw or pre-processed chromatographic data, enrich it with metadata such as reaction time, temperature, pH, and initial concentrations of reaction components. Finally, the peaks of interest can be aggregated, concentrations calculated, and the time-course data for each analyte transformed to EnzymeML data.