isotopicScore: Calculate isotopic score.

In sgibb/MALDIquantTools: Additional tools for MALDIquant

Description

This function calculates a score for a isotopic pseudocluster in monoisotopic peak detection. Inspired by Park et al 2008.

Usage

  ## S4 method for signature 'MassPeaks'
.isotopicScore(object, ...)

Arguments

object	MassPeaks object.
monoIdx	numeric, index of potential monoisotopic mass.
apexIdx	numeric, index of apex in pseudocluster.
stepSize	double, calculated difference between isotopic mass values.
referenceTable	data.frame, reference table of isotopic pattern (default: averagineTable)
closest	numeric, index of closest mass in referenceTable.
intensityTolerance	double, allowed difference between measured and calculated isotopic intensities.

Value

score matrix (row1: theoretical mono-1Da, row2: mono, row3: mono+1Da)

References

Park, K. and Yoon, J. Y. and Lee, S. and Paek, E. and Park, H. and Jung, H. J. and Lee, S. W. (2008), “Isotopic peak intensity ratio based algorithm for determination of isotopic clusters and monoisotopic masses of polypeptides from high-resolution mass spectrometric data.” Analytical Chemistry, 80: 7294-7303.

See Also

monoisotopic,MassPeaks-method .pseudoCluster

sgibb/MALDIquantTools documentation built on Oct. 18, 2019, 8:02 p.m.