Get PPM Range covered by Spectra — get_ppm

Helper function of align(). Should not be called directly by the user.

Returns the ppm range across all peaks of the provided deconvoluted spectra.

Direct usage of this function has been deprecated with metabodecon version 1.4.3 and will be removed with metabodecon version 2.0.0.

Usage

get_ppm_range(spectrum_data, full_range = FALSE)

Arguments

spectrum_data: A list of deconvoluted spectra as returned by generate_lorentz_curves().
full_range: If TRUE, the full range of the spectra is returned. If FALSE, only the range from the lowest to the highest peak center is returned.

Value

A vector containing the lowest and highest ppm value over all peaks of the provided deconvoluted spectra.

Author

2021-2024 Wolfram Gronwald: initial version.
2024-2025 Tobias Schmidt: refactored initial version.

Examples

spectrum_data <- generate_lorentz_curves(
    data_path = sim[1:2],
    nfit = 3,
    sfr = c(3.55, 3.35),
    wshw = 0,
    ask = FALSE,
    verbose = FALSE
)
ppm_rng <- get_ppm_range(spectrum_data)
print(ppm_rng)
#> [1] 3.36275 3.51725