peak-border-center-estimation - Estimate LC-HRMS chromatographic peak borders and centers
Estimate chromatographic peak borders and centers from LC-HRMS profile mode data using smoothing and gradient-descent algorithms.
Tags
Updated: 2026-09-18Capabilities
Typical Inputs
Typical Outputs
What this skill does
- Apply signal smoothing filter
- Execute gradient descent algorithm
- Locate chromatographic peak maxima
- Estimate peak center coordinates
- Estimate peak border boundaries
Inputs
- LC-HRMS chromatogram matrix data
- Smoothing filter parameters
- Gradient-descent search parameters
Outputs
- Detected chromatographic peak centers
- Peak border estimates
- Peak properties
Requirements
- Python
- PeakBot
- TensorFlow
- CUDA GPU