ar.getone {Rarmec} | R Documentation |
Function to send, retrieve and parse one query to ARMeC. This is equivalent to fill each field of the ARMeC search page:
http://www.armec.org/MetaboliteLibrary/search_by_esi_data.html
In the context of the current package, this function is better
used from ar.getlist
where parsing actual variables with mixture of both modes is allowed.
ar.getone(bioSource = "Embryophyta", ionMode = "positive", accuracy = "nominal", measuredMass = NULL, predictedMass = NULL, anyMass = NULL, daughterIon = NULL)
bioSource |
Biological source |
ionMode |
positive or negative |
accuracy |
Nominal mass is only effective for the moment |
measuredMass |
Mass if measured adducts are queried |
predictedMass |
Mass if predicted adducts are queried |
anyMass |
List of masses to be queried |
daughterIon |
Daughter ion mass |
Return a matrix/vector containing information of the possible candidates:
ArmecId |
ARMeC identifier |
Name |
ARMeC name |
Adduct |
ARMeC ionisation product name |
MFormula |
Molecular formula |
MWeight |
Molecular weight |
KeggId |
KEGG identifier |
TairId |
TAIR identifier |
Pathway |
Metabolic pathway(s) |
David Enot dle@aber.ac.uk>
### Fetch compounds that have ionisation products of ### measured nominal mass=193 in the positive mode ar.getone(measuredMass=193,ionMode="positive") ### same but predicted this time ar.getone(predictedMass=193,ionMode="positive")