spec_smooth_avg

This function applies a moving average smoothing to numeric spectral data using a specified window size and polynomial degree, while preserving the wavelength column.

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

spec_smooth_avg function

<dl><dt>.data</dt>
<dd>A `data.frame` or `tibble` containing spectral data.</dd>
<dt>wn_col</dt>
<dd>A character string specifying the column name for the wavelength data. Default is `"Wn"`.</dd>
<dt>window</dt>
<dd>A numeric value specifying the window size for the moving average smoothing. Default is 15.</dd>
<dt>degree</dt>
<dd>A numeric value specifying the degree of the polynomial for smoothing. Default is 2.</dd></dl>

Arguments

Apply Smoothing to Spectral Data Using a Moving Average — spec_smooth_avg

<dl>

<dt>.data</dt>
<dd>A `data.frame` or `tibble` containing spectral data.</dd>


<dt>wn_col</dt>
<dd>A character string specifying the column name for the wavelength data. Default is `"Wn"`.</dd>


<dt>window</dt>
<dd>A numeric value specifying the window size for the moving average smoothing. Default is 15.</dd>


<dt>degree</dt>
<dd>A numeric value specifying the degree of the polynomial for smoothing. Default is 2.</dd>

</dl>

spec_smooth_avg: Apply Smoothing to Spectral Data Using a Moving Average

Description

Usage

Value

Arguments