| identificationScoreCalculator {IDSL.UFA} | 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 |
[Package IDSL.UFA version 2.0 Index]