Create a LIBS Dataset

Constructs a libs_dataset: a collection of ls_spectrum() objects sharing a common wavelength axis, plus a sample-info table.

Usage

ls_dataset(spectra, sample_info = NULL)

Arguments

spectra

List of libs_spectrum objects. All must share the same wavelength axis (channels and values within 0.1 nm tolerance).

sample_info

Optional data.frame or tibble with one row per spectrum. Must contain column sample_id matching metadata$sample_id in each spectrum. Additional columns (e.g. material, group, concentration, x_pos, y_pos) are optional. If NULL, built from spectrum metadata.

Value

A libs_dataset S3 object.

Examples

specs <- lapply(1:3, function(i) {
  ls_simulate_spectrum(elements = c(Ca = 1000 * i, Na = 500), seed = i)
})
specs <- Map(function(s, id) {
  s$metadata$sample_id <- paste0("s", id)
  s
}, specs, seq_along(specs))
ds <- ls_dataset(specs)
print(ds)
#> <libs_dataset>
#> • Spectra: 3
#> • Channels: 2048
#> • Range: 200-900 nm
#> • Groups: 1 (material)