SIMAT-package |
This package is for processing GC-SIM-MS data |
getEIC |
Get the EIC of a peak |
getPeak |
Get all peaks corresponding to targets in several runs |
getPeakScore |
Calculate the similarity score for all peaks |
getRI |
Generate a calibration function |
getRIStandard |
Get the RI standard information |
getScore |
Calculate similarity score for a peak |
getTarget |
Get target information |
getTargetTable |
Get target table information |
Library |
Extracted compound information from an MSL library. |
optFrag |
Fragment selection through optimization |
plotEIC |
Plotting EIC of one peak |
plotTIC |
Plotting TIC of one run |
putTargetTable |
Put target table information |
readCDF |
Read raw mass spectrometry data in netCDF files |
readMSL |
Read mass spectral library (MSL) files |
RItable |
Extracted RI standard information from a 'csv' file. |
Run |
Extracted peaks from one SIM run. |
SIMAT |
This package is for processing GC-SIM-MS data |
target.table |
Extracted target information from a 'csv' file. |
Targets |
Targets information in a list. |
writeMSL |
Write targets information into a file with mass spectral library (MSL) format. |