Scannotation is an automated and user-friendly suspect screening tool for the rapid pre-annotation of LC-HRMS datasets.
This software is organized around three main modules: Library, Screening and QA/QC generator.
These modules combine several MS1 chemical predictors: m/z, retention times, isotopic patterns and neutral loss patterns, to score the proximity between features and suspects, thus efficiently prioritizing compounds of interest.
This tool evaluates the completeness and robustness of MS1 HRMS data preprocessing. It produces harmonized PARC QA/QC preprocessing outputs and automatically generates a report based on the HBM4EU analytical QA/QC framework and additional project-specific criteria (for further details, please refer to: https://www.sciencedirect.com/science/article/abs/pii/S0165993624001560?via%3Dihub).
Download the latest stable release from the GitHub Releases page: https://github.com/scannotation/Scannotation_software_v4/releases/latest
To get an overview of the complete Scannotation workflow, you can view the workflow presentation video:
- either on YouTube directly
- or if you want to browse the video using the table of contents (recommended):
➪ Please download the file "video_resources/Scannotation_v4-workflow_presentation.zip" and launch in your web browser the file "Scannotation_v4-workflow_presentation_player.html" present in the zip file.
To get started with Scannotation, you can view the complete workflow tutorial video:
- either on YouTube directly
- or if you want to browse the video using the table of contents (recommended):
➪ Please download the file "video_resources/Scannotation_v4-tutorial.zip" and launch in your web browser the file "Scannotation_v4-tutorial_player.html" present in the zip file.
You may also refer to this tutorial. It was created for previous Scannotation v3 release, but the main usage remains the same for the current version (which includes additional new features).
For more information about the QA/QC generator module, you can view the video tutorial:
- either on YouTube directly
- or if you want to browse the video using the table of contents (recommended):
➪ Please download the file "QA-QC_generator-tutorial.zip" and launch in your web browser the file "QA-QC_generator-tutorial_player.html" present in the zip file.
For more information, you can read the article about Scannotation published in "Environmental Science & Technology".
Scientific publications and conference presentations citing Scannotation are listed on on HAL.
A video introducing Scannotation is available here.
Scannotation was developed in Python 3.9 on Windows 11.
If you have any questions, please contact the developers at this address: scannotation@ehesp.fr or post your issue on this GitHub repository based on the file "Issue_template.md".