getextcalib-methods {mscalib}R Documentation

Obtain external calibration model from poly-mer samples

Description

Some sample spots on the sample support are dedicated to calibration only. Calibration samples, which yield equidistant peaks with known masses ( e.g. polymer mixtures), can be used to precisely estimate the mass-dependent difference function y_i. In our implementation we used an implementation of the smoothing spline function, provided by B.D. Ripley and Martin M{"a}chler (based on Fortran code of T. Hastie and R. Tibshirani) as part of the R-stats package (smooth.spline).

Arguments

object Massvectorlist-class or Massvector-class
calib link[]{Massvector-class} providing theoretical masses. (see method getPPGmasses)
error size of the search window.
ppm was the search window (error) specified in relative (parts per million) or in absolute arbitrary units e.g. Dalton
uniq Should crossing matching should be resolved? default : FALSE.

Methods

object = "Massvectorlist", calib = "missing"
...
object = "Massvectorlist", calib = "Massvector"
...
object = "Massvector", calib = "Massvector"
...

References

''A calibration method that simplifies and improves accurate determination of peptide molecular masses by MALDI-TOF MS'' Gobom et al. 2002 Anal Chem 74(15) 3915-3923

See Also

getPPGmasses


[Package mscalib version 1.0.1 Index]