aligned_molecular_formula_annotator

This function detects frequent molecular formulas across multiple samples on the aligned peak table matrix.

A pipeline to annotate chromatography peaks from the 'IDSL.IPA' workflow <doi:10.1021/acs.jproteome.2c00120> with molecular formulas of a prioritized chemical space using an isotopic profile matching approach. The 'IDSL.UFA' workflow only requires mass spectrometry level 1 (MS1) data for formula annotation. The 'IDSL.UFA' methods was described in <doi:10.1021/acs.analchem.2c00563> .

Dinesh Barupal

IDSL.UFA

United Formula Annotation (UFA) for HRMS Data Processing

Sadjad Fakouri-Baygi

aligned_molecular_formula_annotator function

<dl> <dt>PARAM</dt>
<dd>a parameter driven from the UFA_xlsxAnalyzer module.</dd></dl>

Arguments

Aligned Molecular Formula Annotator — aligned_molecular_formula_annotator

<dl>

 <dt>PARAM</dt>
<dd>a parameter driven from the UFA_xlsxAnalyzer module.</dd>

</dl>

aligned_molecular_formula_annotator: Aligned Molecular Formula Annotator

Description

Usage

Arguments