UFA_formula_source

This function produces IPDB from a molecular formula source (a .csv/.txt/.xlsx file).

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

UFA_formula_source function

<dl> <dt>PARAM_FormSource</dt>
<dd>PARAM_FormSource is an internal variable of the IDSL.UFA package.</dd></dl>

Arguments

IPDB from a Molecular Formulas Source — UFA_formula_source

<dl>

 <dt>PARAM_FormSource</dt>
<dd>PARAM_FormSource is an internal variable of the IDSL.UFA package.</dd>

</dl>

UFA_formula_source: IPDB from a Molecular Formulas Source

Description

Usage

Value

Arguments