Importing Data

files2Spectra2DObject()

Import Data into a Spectra2D Object

import2Dspectra()

Import 2D Spectroscopic Data

Data Summaries

sumGroups

Summarize the Group Membership of a Spectra or Spectra2D Object

sumSpectra

Summarize a Spectra or Spectra2D Object

Pre-Processing Data

Modifying/editing data

removeFreq

Remove Frequencies from a Spectra or Spectra2D Object

removeGroup

Remove Groups from a Spectra or Spectra2D Object

removeSample

Remove Samples from a Spectra or Spectra2D Object

removePeaks2D()

Remove Peaks in a Spectra2D Object

normSpectra2D()

Normalize a Spectra2D Object

centscaleSpectra2D()

Center and Scale a Spectra2D Object Along the Samples Dimension

Plots

plotSpectra2D()

Plot a Spectra2D Object

plotSlice()

Plot a Slice of a Spectra2D Object

plotScores

Plot Scores from PCA, MIA or PARAFAC Analysis of a Spectra or Spectra2D Object

plotScree

Scree Plots from PCA or MIA Analysis of a Spectra or Spectra2D Object

plotLoadings2D()

Plot Loadings from a PARAFAC, MIA or POP Analysis of a Spectra2D Object

showScale()

Display a pdf Version of the Contour Scale

LofC()

Create a List of Colors

LofL()

Create a List of Contour Levels

colorSymbol

Color and Symbols in ChemoSpec and ChemoSpec2D

Exploratory Data Analysis

miaSpectra2D()

Multivariate Image Analysis (Tucker 1) of a Spectra2D Object

pfacSpectra2D()

PARAFAC Analysis of a Spectra2D Object

popSpectra2D()

Plain Old PCA (POP) of Spectra2D Objects

Data Sets

Spectra2D

Spectra2D Objects

MUD

Made Up 2D NMR-Like Data Sets

Utilities & Reference

chkSpectra

Verify the Integrity of a Spectra or Spectra2D Object

hats_alignSpectra2D()

Align the Spectra in a Spectra2D Object using the HATS algorithm.

check4Gaps

Check for Discontinuities (Gaps) in a Vector & Optionally Make a Plot

showScale()

Display a pdf Version of the Contour Scale

calcLvls()

Calculate Levels for Contour and Image Type Plots

inspectLvls()

Inspect Levels for Contour Plots of Spectra2D Objects

shiftSpectra2D()

Shift the Spectra in a Spectra2D Object

sampleDist

Compute the Distances Between Samples in a Spectra or Spectra2D Object

computeVolume()

Compute the Volume of a Specified Shift Range in a 2D Spectrum

updateGroups

Update Group Names in a Spectra or Spectra2D Object

ChemoSpec2D-package

Exploratory Chemometrics for 2D Spectroscopy