[GENERAL]
AmountOfChains=2
ChainLibrary=fattyAcidChains.xlsx
CAtomsFromName=\D*(\d+):\d+
DoubleBondsFromName=\D*\d+:(\d+)
BasePeakCutoff=0.01%
RetentionTimePostprocessing=true
SpectrumCoverage=15%
ChainCutoff=80%
AddChainPositions=1

[HEAD]
!FRAGMENTS
Name=Precursor		Formula=$PRECURSOR		Charge=1	MSLevel=2	mandatory=false
Name=PChead_184_WRONG	Formula=C5H15NO4P		Charge=1	MSLevel=2	mandatory=other

!INTENSITIES
Equation=Precursor>0.3*$BASEPEAK		mandatory=true
Equation=Precursor*0.2>PChead_184_WRONG		mandatory=true


[CHAINS]
!FRAGMENTS
Name=Carboxy_OH		Formula=$CHAIN-OH	Charge=1	MSLevel=2	mandatory=false
Name=Na_Carboxy		Formula=$CHAIN+Na		Charge=1	MSLevel=2	mandatory=false
Name=NL_Carboxy		Formula=$PRECURSOR-$CHAIN	Charge=1	MSLevel=2	mandatory=false
Name=NL_Carboxy_Na	Formula=$PRECURSOR-$CHAIN+H-Na	Charge=1	MSLevel=2	mandatory=false

!INTENSITIES
Equation=NL_Carboxy_Na>0.02*NL_Carboxy						mandatory=true
Equation=NL_Carboxy>0.05*NL_Carboxy_Na						mandatory=true
Equation=NL_Carboxy<0.8*$BASEPEAK						mandatory=true
Equation=NL_Carboxy<0.6*Precursor						mandatory=true
Equation=Na_Carboxy<0.4*Precursor						mandatory=true
Equation=Carboxy_OH<0.1*Precursor						mandatory=true
Equation=(NL_Carboxy_Na+Na_Carboxy+NL_Carboxy*0.01+Carboxy_OH*0)>(Carboxy_OH+Precursor*0)	mandatory=true

[POSITION]
!INTENSITIES
Equation=NL_Carboxy_Na[1]*0.8>NL_Carboxy_Na[2]					mandatory=true
Equation=NL_Carboxy_Na[1]+Na_Carboxy[1]*0>Na_Carboxy[2]+NL_Carboxy_Na[2]*0  	mandatory=true
Equation=Na_Carboxy[3]*1.5+NL_Carboxy_Na[3]*0>NL_Carboxy_Na[3]+0*$BASEPEAK	mandatory=true
Equation=Na_Carboxy[3]*1.2>NL_Carboxy_Na[3]+0*NL_Carboxy[3]			mandatory=false
Equation=Na_Carboxy[3]>NL_Carboxy_Na[3]+0*NL_Carboxy[3]			mandatory=false
Equation=NL_Carboxy[1]*0.7>Na_Carboxy[1]+0*NL_Carboxy[1]			mandatory=true
