isotopicScore: Calculate isotopic score.

Description Usage Arguments Value References See Also

Description

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

Usage

1
2
  ## 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 May 26, 2017, 6:55 a.m.