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ir (version 0.2.1)

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, plotting).

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Version

Install

install.packages('ir')

Monthly Downloads

232

Version

0.2.1

License

GPL-3

Maintainer

Henning Teickner

Last Published

May 2nd, 2022

Functions in ir (0.2.1)

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

Arrange rows in ir objects by column values

Subset distinct/unique rows in ir objects

Subset rows in ir objects using column values

Arithmetic operations for ir objects

Group rows in ir objects by one or more variables

Filtering joins for an ir object

Bind rows of ir objects

ir: Functions to Handle and Preprocess Infrared Spectra

Add infrared spectra

Divide infrared spectra or divide infrared spectra by a numeric value

Generic to convert objects to class ir

Averages infrared spectra within groups

ir_bc_polynomial

Performs baseline correction on infrared spectra using a polynomial

Converts objects of class ir to objects of class ir_flat

Performs baseline correction on infrared spectra

Cleans objects of class ir_flat

Creates an object of class ir

Creates an object of class ir_flat

Sample object of class ir

Multiply infrared spectra or multiply infrared spectra with a numeric value

ir_drop_spectra

Drops the column spectra from an object is of class ir

ir_interpolate_region

Interpolates selected regions in infrared spectra in an ir object

Smooths infrared spectra in an ir object

Clips infrared spectra to new wavenumber ranges

ir_get_wavenumberindex

Gets the index of a defined wavenumber value for a spectrum

Bins infrared spectra

Replicate ir objects

Rename columns in ir objects

Imports infrared spectra from various files

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

Plots an object of class ir

Subset rows in ir objects using their positions

ir_to_transmittance

Converts absorbance spectra to transmittance spectra or vice versa

Nest and un-nest an ir object

ir_variance_region

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

Subsetting ir objects

Pivot an ir object from wide to long

pivot_longer.ir

Pivot an ir object from wide to long

Summarize each group in a ir object to fewer rows

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

Group input ir objects by rows

ir_bc_rubberband

Performs baseline correction on infrared spectra using a rubberband algorithm

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

ir_get_intensity

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

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

Imports infrared spectra from Thermo Galactic's files

Normalizes infrared spectra in an ir object

Subset columns in ir objects using column names and types

Mutating joins for an ir object

ir_remove_missing

Removes empty data values in an object of class ir

Mutate an ir object by adding new or replacing existing columns

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

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

ir_get_spectrum

Extracts selected spectra from an object of class ir

separate_rows.ir

Separate a collapsed column in an ir object into multiple rows

Subtract infrared spectra