Quantify Element Concentration — ls

Applies a calibration model to unknown spectra.

Usage

ls_quantify(calibration, x, window_nm = NULL)

Arguments

calibration: A ls_calibration() object.
x: A ls_spectrum() or ls_dataset() object.
window_nm: Numeric. Peak integration window. Defaults to 1 if NULL.

Value

A tibble::tibble() with columns sample_id, element, concentration, unit, below_lod, below_loq.

Examples

ds <- ls_example_data("calibration")
conc <- ds$sample_info$concentration
cal <- ls_calibrate(ds, "Ca", 393.37, conc, verbose = FALSE)
ls_quantify(cal, ds)
#> # A tibble: 27 × 6
#>    sample_id    element concentration unit  below_lod below_loq
#>    <chr>        <chr>           <dbl> <chr> <lgl>     <lgl>    
#>  1 std_00000_r1 Ca             1227.  ppm   FALSE     FALSE    
#>  2 std_00000_r2 Ca               12.3 ppm   FALSE     TRUE     
#>  3 std_00000_r3 Ca              483.  ppm   FALSE     FALSE    
#>  4 std_00100_r1 Ca               12.3 ppm   FALSE     TRUE     
#>  5 std_00100_r2 Ca               12.3 ppm   FALSE     TRUE     
#>  6 std_00100_r3 Ca               12.3 ppm   FALSE     TRUE     
#>  7 std_00250_r1 Ca               12.3 ppm   FALSE     TRUE     
#>  8 std_00250_r2 Ca              826.  ppm   FALSE     FALSE    
#>  9 std_00250_r3 Ca               12.3 ppm   FALSE     TRUE     
#> 10 std_00500_r1 Ca             1467.  ppm   FALSE     FALSE    
#> # ℹ 17 more rows