spec_filter

This function filters the spectral dataset based on a specified wavenumber (`wn`) range.
It requires the wavenumber column to be previously set using [set_spec_wn()].
If `wn_min` and/or `wn_max` are provided, the data will be filtered accordingly.
If neither is provided, the original dataset is returned unchanged.

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_filter function

<dl><dt>.data</dt>
<dd>A data frame containing spectral data.</dd>
<dt>wn_min</dt>
<dd>Optional numeric value. Minimum wavenumber value to keep.</dd>
<dt>wn_max</dt>
<dd>Optional numeric value. Maximum wavenumber value to keep.</dd></dl>

Arguments

Filter spectral data by wavenumber range — spec_filter

<dl>

<dt>.data</dt>
<dd>A data frame containing spectral data.</dd>


<dt>wn_min</dt>
<dd>Optional numeric value. Minimum wavenumber value to keep.</dd>


<dt>wn_max</dt>
<dd>Optional numeric value. Maximum wavenumber value to keep.</dd>

</dl>

spec_filter: Filter spectral data by wavenumber range

Description

Usage

Value

Arguments

Examples