GitHub - sgarrettroe/data_analysis: Matlab tools for analyzing 2D and 3D-IR spectra

Branches Tags

Name		Name	Last commit message	Last commit date
Latest commit History 353 Commits
OO-tools		OO-tools
OO_spectrum		OO_spectrum
OO_workspace		OO_workspace
demos		demos
labarchivesIntegration		labarchivesIntegration
.gitignore		.gitignore
ADD_TO_STARTUP.m		ADD_TO_STARTUP.m
README		README
absorptive2d.m		absorptive2d.m
absorptive2dPP.m		absorptive2dPP.m
absorptive3d.m		absorptive3d.m
analyticalResponseFunctionsFun.m		analyticalResponseFunctionsFun.m
analyzeEnergyLevels.m		analyzeEnergyLevels.m
average2DIRdata.m		average2DIRdata.m
average3d.m		average3d.m
calc2DIRAnisotropy.m		calc2DIRAnisotropy.m
checkGlobalFitRange.m		checkGlobalFitRange.m
chooseLineshapeFunction.m		chooseLineshapeFunction.m
commutator.m		commutator.m
construct1d.m		construct1d.m
construct2d.m		construct2d.m
construct2dPP.m		construct2dPP.m
construct3d.m		construct3d.m
constructLocalModes.m		constructLocalModes.m
constructProductModes.m		constructProductModes.m
constructProductModesSparse.m		constructProductModesSparse.m
convert_T2_to_linewidth.m		convert_T2_to_linewidth.m
correctAmpDrift3d.m		correctAmpDrift3d.m
correctPhaseDrift3d.m		correctPhaseDrift3d.m
correlationFunctionsFun.m		correlationFunctionsFun.m
cumkron.m		cumkron.m
cumkronSparse.m		cumkronSparse.m
displayCoeffMatrix.m		displayCoeffMatrix.m
displayTransitions.m		displayTransitions.m
estimateDeltaH.m		estimateDeltaH.m
evaluateAnharmonicity.m		evaluateAnharmonicity.m
evaluateAnharmonicity2.m		evaluateAnharmonicity2.m
f_Gauss.m		f_Gauss.m
f_Lor.m		f_Lor.m
f_Voigt.m		f_Voigt.m
fftFreqAxis.m		fftFreqAxis.m
fftTimeAxis.m		fftTimeAxis.m
filterExcitons.m		filterExcitons.m
findNExcitonStates.m		findNExcitonStates.m
freq2d.m		freq2d.m
freq3d.m		freq3d.m
fromAbsorptiveToRandNR.m		fromAbsorptiveToRandNR.m
generateExperimentCode.m		generateExperimentCode.m
highPass.m		highPass.m
highPassBackend.m		highPassBackend.m
import2d.m		import2d.m
indexToUs.m		indexToUs.m
indexToVs.m		indexToVs.m
inhomogeneityIndex.m		inhomogeneityIndex.m
interferogram2phase2d.m		interferogram2phase2d.m
intrinsicPhasing.m		intrinsicPhasing.m
license.txt		license.txt
load1d.m		load1d.m
load2d.m		load2d.m
load3d.m		load3d.m
load3dtmp.m		load3dtmp.m
loadReference.m		loadReference.m
loadSpec.m		loadSpec.m
loadSpec_plot1d.m		loadSpec_plot1d.m
loadSpec_plot2d.m		loadSpec_plot2d.m
loadSpec_plot3d.m		loadSpec_plot3d.m
loadSpec_plot3dSlices.m		loadSpec_plot3dSlices.m
loadSpectrum.m		loadSpectrum.m
loadTestStability.m		loadTestStability.m
loadULTRA.m		loadULTRA.m
loadULTRAAnalysis.m		loadULTRAAnalysis.m
loadZeroTimeSpectra.m		loadZeroTimeSpectra.m
loadpumpprobe.m		loadpumpprobe.m
my2dPlot.m		my2dPlot.m
my2dPlotBw.m		my2dPlotBw.m
my3dPlot.m		my3dPlot.m
my3dProjections.m		my3dProjections.m
my3dSlices.m		my3dSlices.m
my3dSlices2.m		my3dSlices2.m
myC3Vis.m		myC3Vis.m
myCaxis2.m		myCaxis2.m
myMap.m		myMap.m
myMapBlueGreen.m		myMapBlueGreen.m
myMapRGB.m		myMapRGB.m
myMapRGB2.m		myMapRGB2.m
myRPlots.m		myRPlots.m
orientationalResponse.m		orientationalResponse.m
peakpos.m		peakpos.m
petersfft.m		petersfft.m
petersfft2.m		petersfft2.m
petersfft3.m		petersfft3.m
phasing2dPP.m		phasing2dPP.m
phasing3d.m		phasing3d.m
polarizationInvariant.m		polarizationInvariant.m
process2d.m		process2d.m
processBarrysResult.m		processBarrysResult.m
processQChemAnharmonicCalc.m		processQChemAnharmonicCalc.m
rb2dPlot.m		rb2dPlot.m
rbLoadMetadata.m		rbLoadMetadata.m
rbPlotTime.m		rbPlotTime.m

Repository files navigation

Matlab tools for data analysis of 2D and 3D-IR spectra

Files include loading data into data structures, applying FFTs, adding rephasing and 
non-rephasing spectra to get purely absorptive spectra, and plotting the results. See 
the help for more details.