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, ...)
# Default S3 method
conform_spec(x, ...)
# S3 method for class '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"assigns source values by midpoint and returns one row for every requested wavenumber: occupied bins are averaged, while requested positions with no source value are linearly interpolated. This can maintain smaller peaks, match either a coarser or finer target axis, and avoid full-size grouping copies. The 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