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 |