UFA_score_coefficients_corrector

This function updates ranking orders of the individual MolecularFormulaAnnotationTable when score coefficients changed.

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_score_coefficients_corrector function

<dl> <dt>input_annotated_molf_address</dt>
<dd>Address to load the individual MolecularFormulaAnnotationTables.</dd> <dt>output_annotated_molf_address</dt>
<dd>Address to save the individual MolecularFormulaAnnotationTables.</dd> <dt>scoreCoefficients</dt>
<dd>A vector of five numbers representing coefficients of the identification score function.</dd> <dt>number_processing_threads</dt>
<dd>Number of processing threads for multi-threaded computations.</dd></dl>

Arguments

Score Coefficients Corrector for MolecularFormulaAnnotationTable — UFA_score_coefficients_corrector

<dl>

 <dt>input_annotated_molf_address</dt>
<dd>Address to load the individual MolecularFormulaAnnotationTables.</dd>

 <dt>output_annotated_molf_address</dt>
<dd>Address to save the individual MolecularFormulaAnnotationTables.</dd>

 <dt>scoreCoefficients</dt>
<dd>A vector of five numbers representing coefficients of the identification score function.</dd>

 <dt>number_processing_threads</dt>
<dd>Number of processing threads for multi-threaded computations.</dd>

</dl>

UFA_score_coefficients_corrector: Score Coefficients Corrector for MolecularFormulaAnnotationTable

Description

Usage

Arguments