SQL-based Mass Spectrometry Data Backend

Project Status: Active – The project has reached a stable, usable state and is being actively developed. R-CMD-check-bioc codecov license years in bioc Ranking by downloads build release build devel

This repository provides a backend for Spectra objects that supports storage of mass spectrometry (MS) data in an SQL database. The package provides the functionality to create such databases from original (raw) MS data files (in mzML, mzXML or netCDF format) and allows to extract the data in an efficient way.

For more information see the package homepage.

Creating a database

By providing the connection to an SQL database, the createMsBackendSqlDatabase imports raw MS data from provided file names and stores it into the dedicated database tables created during import. While MsBackendSql supports any type of SQL database, it is currently optimized for MySQL/MariaDB databases.

Using a MsBackendSql database

MS data in a MsBackendSql database can be accessed through the Spectra package by using the MsBackendSql MS backend. Assuming the variable dbcon represents a (RDBI) database connection to a MsBackendSql, the data can be represented/used with a Spectra object by:

sps <- Spectra(dbcon, source = MsBackendSql())

rformassspectrometry/MsqlBackend documentation built on March 24, 2023, 6:09 p.m.