Package: PlotFTIR 1.3.1.9000

Philip Bulsink

PlotFTIR: Plot FTIR Spectra

The goal of 'PlotFTIR' is to easily and quickly kick-start the production of journal-quality Fourier Transform Infra-Red (FTIR) spectral plots in R using 'ggplot2'. The produced plots can be published directly or further modified by 'ggplot2' functions. L'objectif de 'PlotFTIR' est de démarrer facilement et rapidement la production des tracés spectraux de spectroscopie infrarouge à transformée de Fourier (IRTF) de qualité journal dans R à l'aide de 'ggplot2'. Les tracés produits peuvent être publiés directement ou modifiés davantage par les fonctions 'ggplot2'.

Authors:Philip Bulsink [aut, cre], Ulrich Makanda [trl], His Majesty the King in Right of Canada, as represented by the Minister of Natural Resources [cph]

PlotFTIR_1.3.1.9000.tar.gz
PlotFTIR_1.3.1.9000.zip(r-4.7-any)PlotFTIR_1.3.1.9000.zip(r-4.6-any)PlotFTIR_1.3.1.9000.zip(r-4.5-any)
PlotFTIR_1.3.1.9000.tgz(r-4.6-any)PlotFTIR_1.3.1.9000.tgz(r-4.5-any)
PlotFTIR_1.3.1.9000.tar.gz(r-4.7-any)PlotFTIR_1.3.1.9000.tar.gz(r-4.6-any)
PlotFTIR_1.3.1.9000.tgz(r-4.6-emscripten)
manual.pdf |manual.html✨
DESCRIPTION |NEWS
card.svg |card.png
PlotFTIR/json (API)

# Install 'PlotFTIR' in R:
install.packages('PlotFTIR', repos = c('https://nrcan.r-universe.dev', 'https://cloud.r-project.org'))

Bug tracker:https://github.com/nrcan/plotftir/issues

Pkgdown/docs site:https://nrcan.github.io

Datasets:

On CRAN:

Conda:

chemometricsdatavisftirraman-spectroscopy

5.45 score 4 stars 6 scripts 440 downloads 39 exports 2 dependencies

Last updated from:d56ef9ae0e. Checks:9 OK. Indexed: yes.

TargetResultTimeFilesSyslog
linux-develOK257
source / vignettesOK255
linux-releaseOK276
macos-releaseOK189
macos-oldrelOK175
windows-develOK283
windows-releaseOK244
windows-oldrelOK275
wasm-releaseOK126

Exports:.process_languageabsorbance_to_transmittanceadd_bandadd_scalar_valueadd_wavenumber_markeraverage_spectrabaseline_correctcheck_ftir_datachemospec_to_plotftircompress_low_energyfind_ftir_peaksfind_peak_maximafit_peak_dffit_peaksget_plot_sample_idshighlight_sampleir_to_plotftirmove_plot_legendnormalize_ramannormalize_spectraplot_componentsplot_fit_ftir_peaksplot_fit_residualsplot_ftirplot_ftir_stackedplot_ramanplot_raman_stackedplotftir_to_chemospecplotftir_to_irread_ftirread_ftir_directoryread_ramanrecalculate_baselinerename_plot_sample_idssave_plotsmooth_spectrasubtract_scalar_valuetransmittance_to_absorbancezoom_in_on_range

Dependencies:clirlang

Peak Fitting of FTIR Spectra
Identifying Functional Groups in Biodiesel Spectra | The Biodiesel Dataset | Visualizing the Raw Spectrum | Detecting Peaks Automatically | How Peak Detection Works | Fitting Peaks: Choosing a Model | Voigt Profile (Recommended Starting Point) | Gaussian Profile | Lorentzian Profile | Doniach-Sunjić-Gauss Profile | Comparing Fit Models | Visualizing Fit Components | Evaluating Fit Quality with Residuals | Applying Peak Fitting Across Multiple Samples | Practical Considerations | Choosing a Peak Shape | Tips for Reliable Fitting | References | Identification des Groupes Fonctionnels dans les Spectres de Biodiesel | L'ensemble de données Biodiesel | Visualisation du Spectre Brut | Détection Automatique des Pics | Comment Fonctionne la Détection des Pics | Ajustement des Pics : Choix d'un Modèle | Profil de Voigt (Recommandé comme Point de Départ) | Profil Gaussien | Profil de Lorentz | Profil Doniach-Sunjić-Gauss | Comparaison des Modèles d'Ajustement | Visualisation des Composants de l'Ajustement | Évaluation de la Qualité de l'Ajustement par les Résidus | Application de l'Ajustement de Pics à Plusieurs Échantillons | Considérations Pratiques | Choisir une Forme de Pic | Conseils pour un Ajustement Fiable | Références
Rendered frompeak_fitting.Rmdusingknitr::rmarkdown

Last update: 2026-09-18
Started: 2026-09-18

Plotting FTIR Spectra
Introduction to PlotFTIR | Installing PlotFTIR | Reading Data | Plotting | Title & Subtitle | Rename the Plotted Samples | Compress Low Energy Region | Limit Wavenumber Range | Add Markers | Putting It All Together | Mathematical modifications | Conversion Between Transmittance and Absorbance | Adding or Subtracting Numerical Values | Averaging Multiple Spectra | Shift Baselines | Saving Spectral Plots | Tracé de spectres IRTF | Introduction à PlotFTIR | Installation de PlotFTIR | Lecture des données | Titre & Sous-titre | Renommer les échantillons tracés | Compression de la région à faible énergie | Limiter les nombres d'ondes indiqués | Ajouter des indicateurs | Mise en place de l'ensemble | Modifications mathématiques | Conversion entre la transmittance et l'absorbance | Ajout ou soustraction de valeurs numériques | Calcul de la moyenne de plusieurs spectres | Décaler les lignes de base | Sauvegarde des tracés spectraux
Rendered fromplotting_ftir_spectra.Rmdusingknitr::rmarkdown

Last update: 2026-09-18
Started: 2024-09-17

Readme and manuals

Help Manual

Help pageTopics
Add Bandadd_band
Add or Subtract Scalar Valueadd_scalar_value add_subtract_scalar subtract_scalar_value
Add a Marker at a Wavenumberadd_wavenumber_marker
Average FTIR Spectraaverage_spectra
Correct Spectrum Baselinebaseline_correct
FTIR Bio-diesel databiodiesel
Check FTIR Datacheck_ftir_data
`ChemoSec` to `PlotFTIR` conversionschemospec_to_plotftir
Compress Low-Energy Regioncompress_low_energy
Convert Between Absorbance and Transmittanceabsorbance_to_transmittance conversion transmittance_to_absorbance
Find FTIR Peaksfind_ftir_peaks
Find Peak Maxima in Raman Spectrafind_peak_maxima
Fitted Peaks Data.Framefit_peak_df
Fit Peaksfit_peaks
Get Plot Sample IDsget_plot_sample_ids
Highlight Sample Spectrahighlight_sample
Convert `ir` to `PlotFTIR` data formatir_to_plotftir
Move Plot Legendmove_plot_legend
Normalize Raman Intensity Spectranormalize_raman
Normalize FTIR spectranormalize_spectra
Plot Componentsplot_components
Plot Fitted Peaksplot_fit_ftir_peaks
Plot Residualsplot_fit_residuals
Plot FTIR Spectra Overlaidplot_ftir
Plot FTIR in stacked formatplot_ftir_stacked
Plot Raman Spectra Overlaidplot_raman
Plot Raman in stacked formatplot_raman_stacked
Convert `PlotFTIR` data to `ChemoSpec` formatplotftir_to_chemospec
Convert `PlotFTIR` data to `ir`plotftir_to_ir
Print PlotFTIR Dataprint.PlotFTIR_data
Read FTIR fileread_ftir
Read FTIR fileread_ftir_directory
Read Raman fileread_raman
Recalculate Baselinerecalculate_baseline
Rename Sample IDs in Plotrename_plot_sample_ids
FTIR example datasample_spectra
Save FTIR Plotsave_plot
Smooth Spectra Using Savitzky-Golay Filtersmooth_spectra
Zoom in on a spectral rangezoom_in_on_range