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

Documentation for package ‘MSeasy’ version 5.3.3

MSeasy-package	Unsupervised and untargeted processing of Gas Chromatography-Mass Spectrometry (GC-MS) data
Agilent_MSDataCreation	Demonstration folder for MS.DataCreation with option DataType=Agilent
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 with option DataType=ASCII
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	an initial data from GC-MS analyses by collecting and assembling the information from chromatograms and mass spectra
MS.test.clust	Test for the best clustering method
MSeasy	Unsupervised and untargeted processing of Gas Chromatography-Mass Spectrometry (GC-MS) data
MSeasyToARISTO	Convert output files from the function MS.clust into compatible format for ARISTO websearch <URL: http://www.ionspectra.org/aristo/batchmode/>
MSeasyToMSP	Convert output files from MS.clust into MSP format for NIST mass spectral library search
SearchNIST	Identification of putative molecules using the NIST mass spectral library search tool
trans.ASCII	Transform GC-MS data in ASCII format to suitable data for MS.DataCreation