sfi

sfi analyzes data from Single File Injections (SFIs) mode liquid chromatography-mass spectrometry (LC-MS) experiments, performing peak picking and peak reassignment for pooled reference samples and repeated individual sample injections.

Key Features:

• Peak Picking: Detects peaks from SFIs mode LC-MS data.
• Peak Reassignment: Reassigns peaks using pooled reference sample injections as reference peaks for subsequent individual sample analyses.

Scientific Applications:

• SFIs Mode LC-MS Analysis: Supports analysis workflows where pooled samples are initially injected as reference peaks followed by repeated individual sample injections at fixed time intervals using isocratic elution.

Methodology:

The package uses pooled sample injections to establish reference peaks, then performs repeated injections of individual samples at fixed time intervals with isocratic elution, followed by peak picking and peak reassignment functions.