createMS2ID
processes the data contained in a
CompDb
object and saves the result as SQL and bigMemory
files in a directory. Later on, that directory can be load
as MS2ID object in order to be used repeatedly as reference
library with the annotate
function.
createMS2ID( name = "MS2ID", path = ".", cmpdb, noiseThresh = 0.01, calcSplash = TRUE, calcMmi = TRUE, overwrite = FALSE )
name | character(1) name of the directory where the files will be saved. |
---|---|
path | character(1) with the directory's path. |
cmpdb |
|
noiseThresh | A numeric defining the threshold used in the noise filtering of the MS/MS spectra. e.g. noiseThresh = 0.01 removes peaks with an intensity less than 1% of the base peak. |
calcSplash | boolean(1) indicating if SPLASH values (when missing) must be calculated using the |
calcMmi | boolean(1) indicating if compound monoisotopic mass values (when missing) must be calculated using the |
overwrite | boolean(1) indicating if the function can overwrite results. |
a character(1) naming the resulting directory (+ path)