| find_eic {gcxgclab} | R Documentation |
Finds EICs
Description
find_eic calculates the mass defect for each ion, then finds
the specific EICs of interest.
Usage
find_eic(data, MOI, tolerance = 5e-04)
Arguments
data |
a list object. Data extracted from a cdf file, ideally the output from extract_data(). |
MOI |
a float object. The mass (m/z) value of interest. |
tolerance |
a double object. The tolerance allowed for the MOI. Default is 0.0005. |
Details
Extracted Ion Chromatogram (EIC) is a plot of intensity at a chosen m/z value, or range of values, as a function of retention time. This function finds intensity values at the given mass-to-charge (m/z) values, MOI, and in a range around MOI given a tolerance. Calculates the mass defect for each ion, then finds the specific EICs of interest. Returns a data frame of time values, mass values, intensity values, and mass defects.
Value
eic, a data.frame object. A data frame of time values, retention time 1, retention time 2, mass values, intensity values, and mass defects.
Examples
file1 <- system.file("extdata","sample1.cdf",package="gcxgclab")
frame <- extract_data(file1,mod_t=.5)
eic <- find_eic(frame, MOI=92.1397,tolerance=0.005)
plot_eic(eic,dim=1,title='EIC for MOI 92.1397')
plot_eic(eic,dim=2,title='EIC for MOI 92.1397')