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ir (version 0.4.1)

Functions to Handle and Preprocess Infrared Spectra

Description

Functions to import and handle infrared spectra (import from '.csv' and Thermo Galactic's '.spc', baseline correction, binning, clipping, interpolating, smoothing, averaging, adding, subtracting, dividing, multiplying, atmospheric correction, 'tidyverse' methods, plotting).

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Install

install.packages('ir')

Monthly Downloads

217

Version

0.4.1

License

GPL-3

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Repository

https://github.com/henningte/ir/

Homepage

https://henningte.github.io/ir/

Maintainer

Henning Teickner

Last Published

April 6th, 2025

Functions in ir (0.4.1)

ir_get_wavenumberindex

Gets the index of a defined wavenumber value for a spectrum

Add infrared spectra

Creates an object of class ir_flat

ir_drop_spectra

Drops the column spectra from an object is of class ir

ir_identify_empty_spectra

Identifies empty spectra in an ir object

Divide infrared spectra or divide infrared spectra by a numeric value

ir_export_prepare

Prepares ir objects for export to csv

ir_correct_atmosphere

Corrects artifacts in a spectrum based on reference spectra of the artifact compound

Interpolates intensity values of infrared spectra in an ir object for new wavenumber values

Converts an object to class ir

ir_interpolate_region

Interpolates selected regions in infrared spectra in an ir object

Normalizes infrared spectra in an ir object

Filtering joins for an ir object

ir_get_intensity

Extracts intensities from spectra in an ir object for specific spectral channels

Averages infrared spectra within groups

Subtract infrared spectra

ir_get_spectrum

Extracts selected spectra from an object of class ir

ir_to_transmittance

Converts absorbance spectra to transmittance spectra or vice versa

Bins infrared spectra

Performs baseline correction on infrared spectra

Get the minima/maxima/range/median of x axis values or intensity values of infrared spectra

ir_bc_rubberband

Performs baseline correction on infrared spectra using a rubberband algorithm

separate_rows.ir

Separate a collapsed column in an ir object into multiple rows

Performs baseline correction on infrared spectra using a Savitzky-Golay baseline

Unite multiple columns in an ir object into one by pasting strings together

pivot_longer.ir

Pivot an ir object from wide to long

Subset rows in ir objects using their positions

Imports infrared spectra from various files

Imports infrared spectra from Thermo Galactic's files

ir_bc_polynomial

Performs baseline correction on infrared spectra using a polynomial

Converts objects of class ir to objects of class ir_flat

Cleans objects of class ir_flat

Rename columns in ir objects

ir_sample_prospectr

Wrapper to sampling functions from the 'prospectr' package

Subsetting ir objects

Summarize each group in a ir object to fewer rows

Clips infrared spectra to new wavenumber ranges

Smooths infrared spectra in an ir object

Separate a character column in an ir object into multiple columns with a regular expression or numeric locations

Stacks a matrix or data frame with spectra into a list column

Scales spectra in an ir object

Subset columns in ir objects using column names and types

Creates an object of class ir

Multiply infrared spectra or multiply infrared spectra with a numeric value

ir_remove_missing

Removes empty data values in an object of class ir

ir_variance_region

Computes the variance of a spectrum in an ir object in a given region

Sample object of class ir

Mutating joins for an ir object

Plots an object of class ir

Mutate an ir object by adding new or replacing existing columns

Nest and un-nest an ir object

Pivot an ir object from wide to long

Group input ir objects by rows

Replicate ir objects

Arithmetic operations for ir objects

ir: Functions to Handle and Preprocess Infrared Spectra

Bind rows of ir objects

Subset distinct/unique rows in ir objects

Extract a character column in an ir object into multiple columns using regular expression groups

Arrange rows in ir objects by column values

Group rows in ir objects by one or more variables

Subset rows in ir objects using column values