set_spec_wn

Defines a default wavenumber column name to be used by other functions in the package when `wn_col` is not explicitly provided.

Enables the analysis of spectroscopy data such as infrared ('IR'), Raman, and nuclear magnetic resonance ('NMR') using the tidy data framework from the 'tidyverse'. The 'tidyspec' package provides functions for data transformation, normalization, baseline correction, smoothing, derivatives, and both interactive and static visualization. It promotes structured, reproducible workflows for spectral data exploration and preprocessing. Implemented methods include Savitzky and Golay (1964) "Smoothing and Differentiation of Data by Simplified Least Squares Procedures" <doi:10.1021/ac60214a047>, Sternberg (1983) "Biomedical Image Processing" <https://ieeexplore.ieee.org/stamp/stamp.jsp?tp=&arnumber=1654163>, Zimmermann and Kohler (1996) "Baseline correction using the rolling ball algorithm" <doi:10.1016/0168-583X(95)00908-6>, Beattie and Esmonde-White (2021) "Exploration of Principal Component Analysis: Deriving Principal Component Analysis Visually Using Spectra" <doi:10.1177/0003702820987847>, Wickham et al. (2019) "Welcome to the tidyverse" <doi:10.21105/joss.01686>, and Kuhn, Wickham and Hvitfeldt (2024) "recipes: Preprocessing and Feature Engineering Steps for Modeling" <https://CRAN.R-project.org/package=recipes>.

Marcel Ferreira

tidyspec

Spectroscopy Analysis Using the Tidy Data Philosophy

Willian Zambuzzi

Julia Moraes

Emerson Araujo Alves dos Santos

set_spec_wn function

<dl><dt>col_name</dt>
<dd>A string specifying the name of the wavenumber column.</dd></dl>

Arguments

Set the Default Wavenumber Column — set_spec_wn

<dl>

<dt>col_name</dt>
<dd>A string specifying the name of the wavenumber column.</dd>

</dl>

set_spec_wn: Set the Default Wavenumber Column

Description

Usage

Value

Arguments

See Also

Examples