exportSpectra: exportSpectra
In rromoli/flagme: Analysis of Metabolomics GC/MS Data
exportSpectra R Documentation
exportSpectra
Description
Write the mass spectum into a .msp file to be used in NIST search.
Usage
exportSpectra(object, outList, spectra, normalize = TRUE)
Arguments
object
an object of class "peaksDataset"
outList
an object created using the gatherInfo() function
spectra
numeric. The number of the mass spectra to be printed. It
correspond to the number of the peak in the plot() and the number of the
peak in the gatherInfo() list.
normalize
logical. If the mass spectra has to be normalized to 100
Details
Write the mass spectum into a .msp file to be used in NIST search.
Value
a .msp file
Author(s)
riccardo.romoli@unifi.com
rromoli/flagme documentation built on Feb. 10, 2023, 12:59 a.m.
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| exportSpectra | R Documentation |
exportSpectra
Description
Write the mass spectum into a .msp file to be used in NIST search.
Usage
exportSpectra(object, outList, spectra, normalize = TRUE)
Arguments
object |
an object of class "peaksDataset" |
outList |
an object created using the gatherInfo() function |
spectra |
numeric. The number of the mass spectra to be printed. It correspond to the number of the peak in the plot() and the number of the peak in the gatherInfo() list. |
normalize |
logical. If the mass spectra has to be normalized to 100 |
Details
Write the mass spectum into a .msp file to be used in NIST search.
Value
a .msp file
Author(s)
riccardo.romoli@unifi.com
R Package Documentation
Browse R Packages
We want your feedback!
Note that we can't provide technical support on individual packages. You should contact the package authors for that.
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