Scan measurement files for known compounds

The spectral library is used to scan mzXML measurment files for compounds using the DBAS algorithm. The parameters for DBAS and file locations (measurement files and spectral library) are stored in the `msrawfileRecord`s passed to the `records` argument.

Usage

scanBatchDbas(records, compsToProcess = NULL, showProgress = FALSE)

Arguments

records

`list` of `msrawfileRecord`s

compsToProcess

Character vector of compounds names to include in the scanning (default is all compounds in the spectral library)

showProgress

Logical, show progress bar? (for interacte use, default false)

Value

a `dbasResult` (`list` of 7 tables) including `peakList`, `reintegrationResults` etc.

Examples

if (FALSE) { # \dontrun{
dbComm <- getDbComm()
recs <- getTableAsRecords(
  dbComm, 
  "ntsp25.2_msrawfiles", 
  searchBlock = list(query = list(regexp = list(filename = "Des_19_.._pos.mzXML"))),
  newMsrawfilesRecord
)
recsBlanks <- getTableAsRecords(
  dbComm, 
  "ntsp25.2_msrawfiles", 
  searchBlock = list(query = list(regexp = list(path = ".*mud_pos/BW.*"))), 
  newMsrawfilesRecord
)
res <- scanBatchDbas(c(recs, recsBlanks), "Methyltriphenylphosphonium")
} # }