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Infer axis type from location values

Source: R/axis-validation.R
infer_axis_type.Rd

Attempts to infer the type of measurement axis based on the range and characteristics of location values. This is a heuristic that helps guide appropriate preprocessing choices.

Usage

infer_axis_type(location)

Arguments

location

Numeric vector of location values.

Value

Character string indicating inferred axis type:

  • "wavelength_nm": Visible/NIR wavelengths (typically 300-2500 nm)

  • "wavenumber": Mid-IR wavenumbers (typically 400-4000 cm^-1)

  • "retention_time": Chromatography retention time (typically 0-60 min)

  • "mass_charge": Mass spectrometry m/z (typically 50-2000+)

  • "ppm": NMR chemical shift (typically -2 to 14 ppm)

  • "two_theta": XRD diffraction angle (typically 5-90 degrees)

  • "temperature": Thermal analysis (typically 20-1000 C)

  • "unknown": Could not determine axis type

Examples

# NIR wavelengths
infer_axis_type(seq(1000, 2500, by = 2))
#> [1] "wavelength_nm"

# Mid-IR wavenumbers
infer_axis_type(seq(4000, 400, by = -4))
#> [1] "wavenumber"

# Retention time (minutes)
infer_axis_type(seq(0, 30, by = 0.01))
#> [1] "retention_time"

# NMR chemical shift
infer_axis_type(seq(0, 12, by = 0.001))
#> [1] "ppm"