Description Usage Arguments Details Value References See Also Examples
Missing EEM data can be interpolated. Usually it is the result of removing scatter or other parts where noise is presumed. Different interpolation algorithms can be used (see details).
1 2 |
data |
object of class eemlist with spectra containing missing values |
cores |
specify number of cores for parallel computation |
type |
numeric 0 to 4 or TRUE which resembles type 1 |
verbose |
logical, whether more information on calculation should be provided |
nonneg |
logical, whether negative values should be replaced by 0 |
... |
arguments passed on to other functions (pchip, na.approx, mba.points) |
The types of interpolation are (0) setting all NAs to 0, (1) spline interpolation with mba.points
, (2) excitation and emission wavelength-wise interpolation with pchip
and subsequent mean, (3) excitation wavelength-wise interpolation with pchip
and (4) linear interpolation in 2 dimensions with na.approx
and again subsequent mean calculation. Calculating the mean is a way of ensuring NAs are also interpolated where missing boundary values would make that impossible. Using type = 3, extrapolation can be suppressed by adding the argument extend = FALSE.
object of class eemlist with interpoleted spectra.
Elcoroaristizabal, S., Bro, R., GarcĂa, J., Alonso, L. 2015. PARAFAC models of fluorescence data with scattering: A comparative study. Chemometrics and Intelligent Laboratory Systems, 142, 124-130 https://doi.org/10.1016/j.chemolab.2015.01.017
1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 | data(eem_list)
eem_list <- eem_list[1:6]
class(eem_list) <- "eemlist"
remove_scatter <- c(TRUE, TRUE, TRUE, TRUE)
remove_scatter_width = c(15,10,16,12)
eem_list <- eem_rem_scat(eem_list,remove_scatter,remove_scatter_width)
eem_list <- eem_interp(eem_list)
ggeem(eem_list)
eem_list2 <- eem_setNA(eem_list,ex=200:280,interpolate=FALSE)
ggeem(eem_list2)
eem_list3 <- eem_interp(eem_list2,type=1,extend = TRUE)
ggeem(eem_list3)
eem_list3 <- eem_interp(eem_list2,type=1,extend = FALSE)
ggeem(eem_list3)
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