MTBLS404: Subset of 'Sacurine' data set from MetaboLights data...
In computational-metabolomics/structData: Metabolomics data sets to demonstrate functionality of the qcrms package
Description
Value
Source
References
Examples
Description
The subset of MTBLS404 study Thermo Raw data was donwloaded on May 14, 2020.
RAW data files were converted into mzML file format using msconvert tool from
Proteowizard suite v3.0.20134-da94b986e. Profile mode data were centroided using
Vendor peak picking algorithn. Subset filter of the msconvert tool was
used to subset spectra in the interval of 300 to 500 seconds.
Value
36 mzML files in extdata/MTBLS404/mzML folder of the package.
Source
https://www.ebi.ac.uk/metabolights/MTBLS404
References
Roux A, Xu Y, Heilier JF, Olivier MF, Ezan E, Tabet JC, Junot C. 2012.
Annotation of the Human Adult Urinary Metabolome and Metabolite Identification
Using Ultra High Performance Liquid Chromatography Coupled to a Linear
Quadrupole Ion Trap-Orbitrap Mass Spectrometer.
Anal Chem. Aug 7;84(15):6429-37. doi: 10.1021/ac300829f.
Examples
1
2
mzml_files <- dir(system.file("extdata/MTBLS404/mzML", package="structData"),
full.names=TRUE)
computational-metabolomics/structData documentation built on June 11, 2020, 12:16 a.m.
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Description Value Source References Examples
Description
The subset of MTBLS404 study Thermo Raw data was donwloaded on May 14, 2020.
RAW data files were converted into mzML file format using msconvert tool from
Proteowizard suite v3.0.20134-da94b986e. Profile mode data were centroided using
Vendor peak picking algorithn. Subset filter of the msconvert tool was
used to subset spectra in the interval of 300 to 500 seconds.
Value
36 mzML files in extdata/MTBLS404/mzML folder of the package.
Source
https://www.ebi.ac.uk/metabolights/MTBLS404
References
Roux A, Xu Y, Heilier JF, Olivier MF, Ezan E, Tabet JC, Junot C. 2012. Annotation of the Human Adult Urinary Metabolome and Metabolite Identification Using Ultra High Performance Liquid Chromatography Coupled to a Linear Quadrupole Ion Trap-Orbitrap Mass Spectrometer. Anal Chem. Aug 7;84(15):6429-37. doi: 10.1021/ac300829f.
Examples
1 2 | mzml_files <- dir(system.file("extdata/MTBLS404/mzML", package="structData"),
full.names=TRUE)
|
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Note that we can't provide technical support on individual packages. You should contact the package authors for that.
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