Spectra can be conformed to a standard suite of wavenumbers to be compared with a reference library or to be merged to other spectra.
Usage
conform_spec(x, ...)
# S3 method for default
conform_spec(x, ...)
# S3 method for OpenSpecy
conform_spec(x, range = NULL, res = 5, allow_na = F, type = "interp", ...)Arguments
- x
a list object of class
OpenSpecy.- range
a vector of new wavenumber values, can be just supplied as a min and max value.
- res
spectral resolution adjusted to or
NULLif the raw range should be used.- allow_na
logical; should NA values in places beyond the wavenumbers of the dataset be allowed?
- type
the type of wavenumber adjustment to make.
"interp"results in linear interpolation while"roll"conducts a nearest rolling join of the wavenumbers."mean_up"only works when Spectra are being aggregated, we take the mean of the intensities within the wavenumber specified. This can maintain smaller peaks and make spectra more similar to it's less resolved relatives. mean_up option is still experimental.- ...
further arguments passed to
approx()
Value
adj_intens() returns a data frame containing two columns
named "wavenumber" and "intensity"
See also
restrict_range() and flatten_range() for
adjusting wavenumber ranges;
subtr_baseline() for spectral background correction
Examples
data("raman_hdpe")
conform_spec(raman_hdpe, c(1000, 2000))
#> wavenumber intensity
#> <num> <num>
#> 1: 1000 61.69439
#> 2: 1005 69.33837
#> 3: 1010 66.49849
#> 4: 1015 65.00000
#> 5: 1020 70.80060
#> ---
#> 197: 1980 100.32542
#> 198: 1985 114.12203
#> 199: 1990 122.80339
#> 200: 1995 106.29492
#> 201: 2000 115.16610
#>
#> $metadata
#> x y user_name spectrum_type spectrum_identity organization
#> <int> <int> <char> <char> <char> <char>
#> 1: 1 1 Win Cowger Raman HDPE Horiba Scientific
#> license session_id
#> <char> <char>
#> 1: CC BY-NC 5728ddde4f649fd71f6f487fc5ad8d80/dc85257201307a131e71d9ec24aaccbf
#> file_id
#> <char>
#> 1: cb06ce2846b119d932fb6696479a445b