getextcalib-methods {mscalib} | R Documentation |
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
).
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. |
''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