Metadata-Version: 2.3
Name: sicritfix
Version: 0.0.1
Summary: Python package to detect and correct oscillatory artifacts in mass spectrometry mzML data.
License: GPL-3.0-only
Keywords: mass spectrometry,mzML,signal correction,fft,phase,oscillations
Author: Maite Gómez del Rio Vinuesa
Author-email: maite.gomezriovinuesa@gmail.com
Maintainer: Maite Gómez del Rio Vinuesa
Maintainer-email: maite.gomezriovinuesa@gmail.com
Requires-Python: >=3.11
Classifier: Development Status :: 3 - Alpha
Classifier: Intended Audience :: Science/Research
Classifier: License :: OSI Approved :: GNU General Public License v3 (GPLv3)
Classifier: Operating System :: OS Independent
Classifier: Programming Language :: Python :: 3
Classifier: Programming Language :: Python :: 3.11
Classifier: Programming Language :: Python :: 3.12
Classifier: Programming Language :: Python :: 3.13
Classifier: Programming Language :: Python :: 3.10
Classifier: Programming Language :: Python :: 3.8
Classifier: Programming Language :: Python :: 3.9
Requires-Dist: numpy (>=1.22,<2.0)
Requires-Dist: pyopenms
Requires-Dist: scipy (>=1.8,<2.0)
Project-URL: Documentation, https://github.com/MaiteGomezRio/Oscillations_Corrector_Algorithm_SICRIT#readme
Project-URL: Homepage, https://github.com/MaiteGomezRio/Oscillations_Corrector_Algorithm_SICRIT
Project-URL: Repository, https://github.com/MaiteGomezRio/Oscillations_Corrector_Algorithm_SICRIT
Description-Content-Type: text/markdown

# Oscillations_Corrector_Algorithm_SICRIT
SUPPRESSING SIGNAL ARTIFACTS IN CE-SICRIT-MS VIA OSCILLATION PROCESSING


This repository contains an algorithm designed to **correct oscillations that appear in mass spectrometry (MS) spectra** after applying the **SICRIT ionization source**.

The tool is implemented in Python and can be executed from the **command-line interface (CLI)** after installation.

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## 🚀 Key Features

- Automatic correction of oscillations in post-SICRIT MS data.
- Ready to be used as a command-line tool.
- Modular and extensible codebase.
- Easy to integrate into analytical data processing pipelines.

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## 📦 Installation

### Optional: Using Conda environment

```bash
git clone https://github.com/YOUR_USERNAME/YOUR_REPO.git
cd SICRIT_Oscillations_corrector_algorithm
conda env create -f conda_env.yml
conda activate oscilations_env

### Execution- CLI usage
sicritfix --input path/to/input_file.mzML --output path/to/output_folder/
###For full CLI options: sicritfix --help

