Integrate single chromatographic peak in single file
Usage
integrateSinglePeak(file_path, rt, mz, ppm, rtdev, smoothing)
Arguments
- file_path
character(1) path to .mzML or .mzXML file
- rt
numeric(1) search retention time for target in minutes
- mz
numeric(1) search m/z of target compound
- ppm
numeric(1) allowed ppm deviance
- rtdev
numeric(1) RT window in seconds
- smoothing
logical(1) TRUE or FALSE
Value
results of peak integration