Preprocessing of Gas Chromatography-Mass Spectrometry (GC-MS) data


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Documentation for package ‘MSeasy’ version 5.2

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MSeasy-package Preprocessing of Gas Chromatography-Mass Spectrometry (GC-MS) data
Agilent_MSDataCreation Demonstration folder for MS.DataCreation
Agilent_quantF_MSclust Demonstration dataset for MS.clust
Agilent_quantT_MSclust Demonstration dataset for MS.clust
ASCII_MSclust Demonstration dataset for MS.clust
ASCII_MSDataCreation Demonstration folder for MS.DataCreation
ASCII_TransASCII Demonstration folder for trans.ASCII
Data_testclust Demonstration dataset for MS.test.clust
MS.clust Mass spectra clustering and creation of a fingerprinting or profiling matrix
MS.DataCreation Create an initial data matrix from GC-MS analyses by collecting and assembling the information from chromatograms and mass spectra
MS.DataCreationCDF Same as 'MS.DataCreation' but with the capability to read AIA/ANDI NetCDF, mzXML, mzData and mzML files. Create an initial data matrix from GC-MS analyses by collecting and assembling the information from chromatograms and mass spectra from AIA/ANDI NetCDF, mzXML, mzData and mzML files. Warning: the use of xcms package is necessary.
MS.test.clust Test for the best clustering method
MSeasy Preprocessing of Gas Chromatography-Mass Spectrometry (GC-MS) data
trans.ASCII Transform GC-MS data in ASCII format to suitable data matrix for MS.DataCreation