ScreenDB

ScreenDB archives parsed untargeted LC-HRMS data into SQL databases to enable scalable storage, dynamic querying, and retrospective analysis for applications such as forensic drug screening and large-scale biomonitoring.

Key Features:

• Structured Database Archiving: ScreenDB utilizes SQL databases to archive parsed untargeted LC-HRMS data, facilitating efficient storage and retrieval.
• Peak Deconvolution Integration: It incorporates peak deconvolution processes to refine archived features for accurate analysis.
• Comprehensive Data Repository: The repository contains approximately 40,000 data files comprising forensic cases and quality control samples collected over an eight-year period using consistent analytical methods.
• Dynamic Querying and Multi-layer Manipulation: SQL-based archiving enables dynamic querying and manipulation across multiple data layers.
• Scalability and Efficiency: The SQL archiving approach enhances scalability and efficiency in handling complex biological LC-HRMS datasets.

Scientific Applications:

• Forensic Drug Screening: Applied in forensic contexts to manage and analyze LC-HRMS drug screening data.
• Long-term Monitoring: Supports continuous performance monitoring of LC-HRMS systems to identify trends and anomalies over extended periods.
• Retrospective Data Analysis: Enables retrospective re-analysis of archived datasets to investigate new targets or re-evaluate previous findings.
• Identification of Alternative Analytical Targets: Aids identification of alternative targets for analytes that are poorly ionized, enhancing detectability in untargeted LC-HRMS.
• Large-scale Biomonitoring: Suitable for large-scale biomonitoring projects that rely on untargeted LC-HRMS datasets.

Methodology:

Structured archiving of parsed untargeted LC-HRMS data into SQL databases after peak deconvolution, converting raw untargeted data into a database format and enabling dynamic querying and manipulation across multiple data layers.