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,
corcutoff = NULL,
digits = 2,
accuracy = 4,
freqcutoff = NULL
)
Arguments
list |
a list with mzrt profile |
rtcutoff |
cutoff of the distances in retention time hierarchical clustering analysis, default 10 |
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 |
freqcutoff |
pmd frequency cutoff for structures or reactions, default NULL. This cutoff will be found by PMD network analysis when it is NULL. |
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 0.2.1 Index]