Description Usage Arguments Value See Also Examples
View source: R/oxy-db_search.R
This function takes user m/z, ppm error, base database and the extended database to return hits of interest.
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mzs |
Vector of m/z values |
ionmodes |
Vector of pos/negative mode for each m/z value |
outfolder |
Which folder are your databases stored in? |
base.dbname |
Which base database do you want to retrieve info from? (without .db suffix) |
ppm |
Parts per million accepted error range |
ext.dbname |
Name of extended database (without .db suffix), Default: 'extended' |
append |
Use this when searching muiltiple base databases, so only one result table is created, Default: FALSE |
Data table with match results
SQLite
rbindlist
dbExecute
,dbGetQuery
,dbDisconnect
fn
1 2 3 4 5 6 7 8 9 | ## Not run: myFolder = tempdir()
## Not run: buildBaseDB(outfolder = myFolder, "lmdb", test = TRUE)
## Not run: file.remove(file.path(myFolder, "extended.db"))
## Not run: data(adducts)
## Not run: data(adduct_rules)
## Not run: buildExtDB(outfolder = myFolder, base.dbname = "lmdb",
silent=FALSE, adduct_table = adducts, adduct_rules = adduct_rules)
## End(Not run)
## Not run: searchMZ(c("104.3519421"), "positive", outfolder = myFolder, "lmdb", ppm = 3)
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