getsda {pmd} | R Documentation |
Perform structure/reaction directed analysis for peaks list.
Description
Perform structure/reaction directed analysis for peaks list.
Usage
getsda(list, rtcutoff = 10, freqcutoff = 10, top = 50,
corcutoff = NULL, digits = 2, accuracy = 4)
Arguments
list |
a list with mzrt profile |
rtcutoff |
cutoff of the distances in retention time hierarchical clustering analysis, default 10 |
freqcutoff |
cutoff of frequency of PMDs between RT cluster for peaks, default 10 |
top |
top n pmd freqency cutoff when the freqcutoff is too small for large data set, default 50 |
corcutoff |
cutoff of the correlation coefficient, default NULL |
digits |
mass or mass to charge ratio accuracy for pmd, default 2 |
accuracy |
measured mass or mass to charge ratio in digits, default 4 |
Value
list with tentative isotope, adducts, and neutral loss peaks' index, retention time clusters.
See Also
Examples
data(spmeinvivo)
pmd <- getpaired(spmeinvivo)
std <- getstd(pmd)
sda <- getsda(std)
[Package pmd version 0.1.5 Index]