identificationScoreCalculator: Multiplicative Identification Score for the IDSL.UFA pipeline
In IDSL.UFA: United Formula Annotation (UFA) for HRMS Data Processing
View source: R/identificationScoreCalculator.R
identificationScoreCalculator R Documentation
Multiplicative Identification Score for the IDSL.UFA pipeline
Description
This function calculates the score values to rank candidate molecular formulas for a mass spectrometry-chromatography peak.
Usage
identificationScoreCalculator(scoreCoefficients, nIisotopologues, PCS, RCS, NEME,
R13C_PL, R13C_IP)
Arguments
scoreCoefficients
A vector of seven numbers equal or greater than 0
nIisotopologues
Number of isotopologues in the theoretical isotopic profiles.
PCS
PCS (per mille)
RCS
RCS (percentage)
NEME
NEME (mDa)
R13C_PL
R13C of the peak from IDSL.IPA peaklists
R13C_IP
R13C from theoretical isotopic profiles
IDSL.UFA documentation built on May 31, 2023, 6:21 p.m.
R Package Documentation
Browse R Packages
We want your feedback!
Note that we can't provide technical support on individual packages. You should contact the package authors for that.
View source: R/identificationScoreCalculator.R
| identificationScoreCalculator | R Documentation |
Multiplicative Identification Score for the IDSL.UFA pipeline
Description
This function calculates the score values to rank candidate molecular formulas for a mass spectrometry-chromatography peak.
Usage
identificationScoreCalculator(scoreCoefficients, nIisotopologues, PCS, RCS, NEME,
R13C_PL, R13C_IP)
Arguments
scoreCoefficients |
A vector of seven numbers equal or greater than 0 |
nIisotopologues |
Number of isotopologues in the theoretical isotopic profiles. |
PCS |
PCS (per mille) |
RCS |
RCS (percentage) |
NEME |
NEME (mDa) |
R13C_PL |
R13C of the peak from IDSL.IPA peaklists |
R13C_IP |
R13C from theoretical isotopic profiles |
R Package Documentation
Browse R Packages
We want your feedback!
Note that we can't provide technical support on individual packages. You should contact the package authors for that.
Embedding an R snippet on your website
Add the following code to your website.
For more information on customizing the embed code, read Embedding Snippets.