convertMSP2MSP: Convert MSP data frame into object of 'MSP'-class
In PlantDefenseMetabolism/MetabolomicTools: Navigating mass spectral similarity in high-resolution MS/MS metabolomics data
Description
Usage
Arguments
Details
Value
Author(s)
Examples
Description
Convert msp data frame into object of MSP-class
Usage
1
convertMSP2MSP(msp)
Arguments
msp
data.frame, see Details for further information.
Details
msp is a data frame of a .MSP file, a typical data file for
MS/MS libraries. The data frame has two columns and contains in the first
column the entries "NAME:",
"PRECURSORMZ:" (or "EXACTMASS:"), "Num Peaks:" and information on fragments and
peak areas/intensities. It may additionally contain row entries:
convertMSP2MSP will try to find the row entries "RETENTIONTIME:",
"ADDUCTIONNAME:" (or "PRECURSORTYPE:"), "CLASS:" and "INFORMATION:" and
extract the respective information in the second column.
Value
convertMSP2MSP returns an object of class MSP.
Author(s)
Thomas Naake, thomasnaake@googlemail.com
Examples
1
2
data("convertMSP2MSP", package = "MetCirc")
convertMSP2MSP(msp = msp2msp)
PlantDefenseMetabolism/MetabolomicTools documentation built on May 8, 2019, 2:53 p.m.
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Description Usage Arguments Details Value Author(s) Examples
Description
Convert msp data frame into object of MSP-class
Usage
1 | convertMSP2MSP(msp)
|
Arguments
msp |
|
Details
msp is a data frame of a .MSP file, a typical data file for
MS/MS libraries. The data frame has two columns and contains in the first
column the entries "NAME:",
"PRECURSORMZ:" (or "EXACTMASS:"), "Num Peaks:" and information on fragments and
peak areas/intensities. It may additionally contain row entries:
convertMSP2MSP will try to find the row entries "RETENTIONTIME:",
"ADDUCTIONNAME:" (or "PRECURSORTYPE:"), "CLASS:" and "INFORMATION:" and
extract the respective information in the second column.
Value
convertMSP2MSP returns an object of class MSP.
Author(s)
Thomas Naake, thomasnaake@googlemail.com
Examples
1 2 | data("convertMSP2MSP", package = "MetCirc")
convertMSP2MSP(msp = msp2msp)
|
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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