UFA_enumerated_chemical_space_xlsxAnalyzer

This function evaluates the molecular formula generation constraints in the spreadsheet to create the isotopic profile database.

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_enumerated_chemical_space_xlsxAnalyzer function

<dl> <dt>spreadsheet</dt>
<dd>UFA spreadsheet</dd></dl>

Arguments

IPDBs from UFA Enumerated Chemical Space (ECS) xlsx Analyzer — UFA_enumerated_chemical_space_xlsxAnalyzer

<dl>

 <dt>spreadsheet</dt>
<dd>UFA spreadsheet</dd>

</dl>

UFA_enumerated_chemical_space_xlsxAnalyzer: IPDBs from UFA Enumerated Chemical Space (ECS) xlsx Analyzer

Description

Usage

Arguments