README.md

In barupal/MetSkye:

MetSkye (under development)

R functions for Generating metabolomics data matrices from GC/LC MS data files.

This R-pacakge is going to have functions for -

• Targeted Peak Height Extraction
• Retention Time Correction using Internal Standard Mixture
• Analytical signal drift correction for large batches
• Untargeted peak detection
• Master peak database from a set of mzML files
• MS/MS spectra matching using NIST MS Search tool for Hybrid and Normal spectra search
• Duplicate peak removal
• Batch convert vendor files to mzXML format.
• Export NIST MSP for each mzXML file
• Quantify lipids by single point calibration based on class specific and closest Internal Standard.
• Export Spectra to an ElasticSearch database
• OpenCPU and Angular JS based data viewer

Citation : MetSkye : R-package for targeted and untargeted metabolomics

barupal/MetSkye documentation built on May 19, 2019, 1:46 a.m.