http://thermo.magellan.com/owl/DataTypes/Validated All 5 1 0.2 3 Medium 1 0 Untargeted <unknown> False 2 Peaks (z <=2 ) / 3 Peaks (z >= 3) http://thermo.magellan.com/owl/DataTypes/CentroidData http://thermo.magellan.com/owl/DataTypes/ProfileData Use MS1 Precursor True PD False True Automatic All True Averagine True 0 0 0 0 0 1 0 0 350 Da 5000 Da Any Is Not MS1 Any Any 0 1000 Is Full Any 1.5 Automatic ITMS MS2 CID + 60000 30000 2.5 Da 5.5 Da 1.5 1.5 Averagine True http://thermo.magellan.com/owl/DataTypes/ScoredWithPEP http://thermo.magellan.com/owl/DataTypes/ScoredWithQValue http://thermo.magellan.com/owl/DataTypes/Validated http://thermo.magellan.com/owl/DataTypes/WithDecoys Concatenated q-Value D0E5CE92-ABF5-43F1-8D0F-C17FC9194D99 True 0.05 0 0.01 0.05 0 http://thermo.magellan.com/owl/DataTypes/ScoredWithPEP http://thermo.magellan.com/owl/DataTypes/ScoredWithQValue http://thermo.magellan.com/owl/DataTypes/Validated http://thermo.magellan.com/owl/DataTypes/WithDecoys Concatenated q-Value D0E5CE92-ABF5-43F1-8D0F-C17FC9194D99 True 0.05 0 0.01 0.05 0 http://thermo.magellan.com/owl/DataTypes/ScoredWithPEP http://thermo.magellan.com/owl/DataTypes/ScoredWithQValue http://thermo.magellan.com/owl/DataTypes/Validated http://thermo.magellan.com/owl/DataTypes/WithDecoys Concatenated q-Value D0E5CE92-ABF5-43F1-8D0F-C17FC9194D99 True 0.05 0 0.01 0.05 0 http://thermo.magellan.com/owl/DataTypes/ScoredWithPEP http://thermo.magellan.com/owl/DataTypes/ScoredWithQValue http://thermo.magellan.com/owl/DataTypes/Validated http://thermo.magellan.com/owl/DataTypes/WithDecoys Concatenated q-Value D0E5CE92-ABF5-43F1-8D0F-C17FC9194D99 True 0.05 0 0.01 0.05 0 http://thermo.magellan.com/owl/DataTypes/ScoredWithPEP http://thermo.magellan.com/owl/DataTypes/ScoredWithQValue http://thermo.magellan.com/owl/DataTypes/Validated http://thermo.magellan.com/owl/DataTypes/WithDecoys Concatenated q-Value D0E5CE92-ABF5-43F1-8D0F-C17FC9194D99 True 0.05 0 0.01 0.05 0 http://thermo.magellan.com/owl/DataTypes/INFERYSRescorable http://thermo.magellan.com/owl/DataTypes/ScoredWithNativeScore http://thermo.magellan.com/owl/DataTypes/WithDecoys http://thermo.magellan.com/owl/DataTypes/WithDecoys Thyroglobulin human.fasta <Enzyme Version="1" Name="Chymotrypsin" CleavageSites="FLWY" CleavageInhibitors="-" Offset="1" CleavageSpecificity="SpecificAtBothEnds" /> 3 6 150 10 Automatic True 3000 0 10 ppm 0.02 Da False False 1.5 0.7 2 0.9 2.5 1.2 3 1.5 True True True True 0 1 0 0 1 0 False 1.2 0.7 1.9 0.8 2.3 1 2.6 1.2 2.3 1.5 3 4 <Modification Version="2" AminoAcids="H, Y" Name="Iodo" Abbreviation="Iodo" ID="157" UnimodAccession="129" DeltaMass="125.89665" DeltaAverageMass="125.89650" IsSubstitution="False" LeavingGroup="" Substitution="H(-1) I" PositionType="Any" /> <Modification Version="2" AminoAcids="H, Y" Name="Diiodo" Abbreviation="Diiodo" ID="158" UnimodAccession="130" DeltaMass="251.79330" DeltaAverageMass="251.79310" IsSubstitution="False" LeavingGroup="" Substitution="H(-2) I(2)" PositionType="Any" /> <Modification Version="2" AminoAcids="Y" Name="Triiodothyronine" Abbreviation="Triiodothyronine" ID="350" UnimodAccession="397" DeltaMass="469.71616" DeltaAverageMass="469.78500" IsSubstitution="False" LeavingGroup="" Substitution="H C(6) O I(3)" PositionType="Any" /> <Modification Version="2" AminoAcids="M, W, Y" Name="Oxidation" Abbreviation="Oxidation" ID="46" UnimodAccession="35" DeltaMass="15.99492" DeltaAverageMass="15.99940" IsSubstitution="False" LeavingGroup="" Substitution="O" PositionType="Any" /> <Modification Version="2" AminoAcids="C" Name="Carbamidomethyl" Abbreviation="Carbamidomethyl" ID="8" UnimodAccession="4" DeltaMass="57.02146" DeltaAverageMass="57.05130" IsSubstitution="False" LeavingGroup="" Substitution="H(3) C(2) N O" PositionType="Any" /> <Modification Version="2" AminoAcids="N" Name="Asn->Asp" Abbreviation="Asn->Asp" ID="546" UnimodAccession="621" DeltaMass="0.98402" DeltaAverageMass="0.98480" IsSubstitution="False" LeavingGroup="" Substitution="H(-1) N(-1) O" PositionType="Any" /> 2EDB1DFD-FA0F-49B5-B8F4-EEF90C922903 True False 39EFA907-9435-46E1-9AF8-1203D547387A http://thermo.magellan.com/owl/DataTypes/INFERYSRescorable http://thermo.magellan.com/owl/DataTypes/ScoredWithNativeScore http://thermo.magellan.com/owl/DataTypes/WithDecoys http://thermo.magellan.com/owl/DataTypes/WithDecoys Thyroglobulin human.fasta <Enzyme Version="1" Name="Chymotrypsin" CleavageSites="FLWY" CleavageInhibitors="-" Offset="1" CleavageSpecificity="SpecificAtBothEnds" /> 3 6 150 10 Automatic True 3000 0 10 ppm 0.02 Da False False 1.5 0.7 2 0.9 2.5 1.2 3 1.5 True True True True 0 1 0 0 1 0 False 1.2 0.7 1.9 0.8 2.3 1 2.6 1.2 2.3 1.5 3 4 <Modification Version="2" AminoAcids="Y" Name="Thyroxine" Abbreviation="Thyroxine" ID="351" UnimodAccession="398" DeltaMass="595.61281" DeltaAverageMass="595.68150" IsSubstitution="False" LeavingGroup="" Substitution="C(6) O I(4)" PositionType="Any" /> <Modification Version="2" AminoAcids="S, Y" Name="Sulfo" Abbreviation="Sulfo" ID="55" UnimodAccession="40" DeltaMass="79.95682" DeltaAverageMass="80.06320" IsSubstitution="False" LeavingGroup="" Substitution="O(3) S" PositionType="Any" /> <Modification Version="2" AminoAcids="M, W, Y" Name="Oxidation" Abbreviation="Oxidation" ID="46" UnimodAccession="35" DeltaMass="15.99492" DeltaAverageMass="15.99940" IsSubstitution="False" LeavingGroup="" Substitution="O" PositionType="Any" /> <Modification Version="2" AminoAcids="C, M, Y" Name="Carbamidomethyl" Abbreviation="Carbamidomethyl" ID="8" UnimodAccession="4" DeltaMass="57.02146" DeltaAverageMass="57.05130" IsSubstitution="False" LeavingGroup="" Substitution="H(3) C(2) N O" PositionType="Any" /> <Modification Version="2" AminoAcids="N" Name="Asn->Asp" Abbreviation="Asn->Asp" ID="546" UnimodAccession="621" DeltaMass="0.98402" DeltaAverageMass="0.98480" IsSubstitution="False" LeavingGroup="" Substitution="H(-1) N(-1) O" PositionType="Any" /> 2EDB1DFD-FA0F-49B5-B8F4-EEF90C922903 True False 39EFA907-9435-46E1-9AF8-1203D547387A http://thermo.magellan.com/owl/DataTypes/INFERYSRescorable http://thermo.magellan.com/owl/DataTypes/ScoredWithNativeScore http://thermo.magellan.com/owl/DataTypes/WithDecoys http://thermo.magellan.com/owl/DataTypes/WithDecoys Thyroglobulin human.fasta <Enzyme Version="1" Name="Chymotrypsin" CleavageSites="FLWY" CleavageInhibitors="-" Offset="1" CleavageSpecificity="SpecificAtBothEnds" /> 2 6 150 10 Automatic True 3000 0 10 ppm 0.02 Da False False 1.5 0.7 2 0.9 2.5 1.2 3 1.5 True True True True 0 1 0 0 1 0 False 1.2 0.7 1.9 0.8 2.3 1 2.6 1.2 2.3 1.5 3 4 <Modification Version="2" AminoAcids="M, W, Y" Name="Oxidation" Abbreviation="Oxidation" ID="46" UnimodAccession="35" DeltaMass="15.99492" DeltaAverageMass="15.99940" IsSubstitution="False" LeavingGroup="" Substitution="O" PositionType="Any" /> <Modification Version="2" AminoAcids="K" Name="Succinyl" Abbreviation="Succinyl" ID="94" UnimodAccession="64" DeltaMass="100.01604" DeltaAverageMass="100.07280" IsSubstitution="False" LeavingGroup="" Substitution="H(4) C(4) O(3)" PositionType="Any" /> <Modification Version="2" AminoAcids="Y" Name="Tyr->Ala" Abbreviation="Tyr->Ala" ID="1037" UnimodAccession="1237" DeltaMass="-92.02622" DeltaAverageMass="-92.09540" IsSubstitution="False" LeavingGroup="" Substitution="H(-4) C(-6) O(-1)" PositionType="Any" /> <Modification Version="2" AminoAcids="Y" Name="Tyr->Dha" Abbreviation="Tyr->Dha" ID="352" UnimodAccession="400" DeltaMass="-94.04187" DeltaAverageMass="-94.11120" IsSubstitution="False" LeavingGroup="" Substitution="H(-6) C(-6) O(-1)" PositionType="Any" /> <Modification Version="2" AminoAcids="C, M, Y" Name="Carbamidomethyl" Abbreviation="Carbamidomethyl" ID="8" UnimodAccession="4" DeltaMass="57.02146" DeltaAverageMass="57.05130" IsSubstitution="False" LeavingGroup="" Substitution="H(3) C(2) N O" PositionType="Any" /> <Modification Version="2" AminoAcids="N" Name="Asn->Asp" Abbreviation="Asn->Asp" ID="546" UnimodAccession="621" DeltaMass="0.98402" DeltaAverageMass="0.98480" IsSubstitution="False" LeavingGroup="" Substitution="H(-1) N(-1) O" PositionType="Any" /> 2EDB1DFD-FA0F-49B5-B8F4-EEF90C922903 True False 39EFA907-9435-46E1-9AF8-1203D547387A http://thermo.magellan.com/owl/DataTypes/INFERYSRescorable http://thermo.magellan.com/owl/DataTypes/ScoredWithNativeScore http://thermo.magellan.com/owl/DataTypes/WithDecoys http://thermo.magellan.com/owl/DataTypes/WithDecoys Thyroglobulin human.fasta <Enzyme Version="1" Name="Chymotrypsin" CleavageSites="FLWY" CleavageInhibitors="-" Offset="1" CleavageSpecificity="SpecificAtBothEnds" /> 2 6 150 10 Automatic True 3000 0 10 ppm 0.02 Da False False 1.5 0.7 2 0.9 2.5 1.2 3 1.5 True True True True 0 1 0 0 1 0 False 1.2 0.7 1.9 0.8 2.3 1 2.6 1.2 2.3 1.5 3 4 <Modification Version="2" AminoAcids="F, M, W" Name="Oxidation" Abbreviation="Oxidation" ID="46" UnimodAccession="35" DeltaMass="15.99492" DeltaAverageMass="15.99940" IsSubstitution="False" LeavingGroup="" Substitution="O" PositionType="Any" /> <Modification Version="2" AminoAcids="C, M" Name="Carbamidomethyl" Abbreviation="Carbamidomethyl" ID="8" UnimodAccession="4" DeltaMass="57.02146" DeltaAverageMass="57.05130" IsSubstitution="False" LeavingGroup="" Substitution="H(3) C(2) N O" PositionType="Any" /> <Modification Version="2" AminoAcids="N" Name="Asn->Asp" Abbreviation="Asn->Asp" ID="546" UnimodAccession="621" DeltaMass="0.98402" DeltaAverageMass="0.98480" IsSubstitution="False" LeavingGroup="" Substitution="H(-1) N(-1) O" PositionType="Any" /> 2EDB1DFD-FA0F-49B5-B8F4-EEF90C922903 True False 39EFA907-9435-46E1-9AF8-1203D547387A http://thermo.magellan.com/owl/DataTypes/INFERYSRescorable http://thermo.magellan.com/owl/DataTypes/ScoredWithNativeScore http://thermo.magellan.com/owl/DataTypes/WithDecoys http://thermo.magellan.com/owl/DataTypes/WithDecoys Thyroglobulin human.fasta <Enzyme Version="1" Name="Chymotrypsin" CleavageSites="FLWY" CleavageInhibitors="-" Offset="1" CleavageSpecificity="SpecificAtBothEnds" /> 2 6 150 10 Automatic True 3000 0 10 ppm 0.02 Da False False 1.5 0.7 2 0.9 2.5 1.2 3 1.5 True True True True 0 1 0 0 1 0 False 1.2 0.7 1.9 0.8 2.3 1 2.6 1.2 2.3 1.5 3 4 <Modification Version="2" AminoAcids="C, K, S, T, Y" Name="Phospho" Abbreviation="Phospho" ID="25" UnimodAccession="21" DeltaMass="79.96633" DeltaAverageMass="79.97990" IsSubstitution="False" LeavingGroup="" Substitution="H O(3) P" PositionType="Any" /> <Modification Version="2" AminoAcids="K" Name="Acetyl" Abbreviation="Acetyl" ID="1" UnimodAccession="1" DeltaMass="42.01057" DeltaAverageMass="42.03670" IsSubstitution="False" LeavingGroup="" Substitution="H(2) C(2) O" PositionType="Any" /> <Modification Version="2" AminoAcids="F, M, W" Name="Oxidation" Abbreviation="Oxidation" ID="46" UnimodAccession="35" DeltaMass="15.99492" DeltaAverageMass="15.99940" IsSubstitution="False" LeavingGroup="" Substitution="O" PositionType="Any" /> <Modification Version="2" AminoAcids="C" Name="Carbamidomethyl" Abbreviation="Carbamidomethyl" ID="8" UnimodAccession="4" DeltaMass="57.02146" DeltaAverageMass="57.05130" IsSubstitution="False" LeavingGroup="" Substitution="H(3) C(2) N O" PositionType="Any" /> <Modification Version="2" AminoAcids="N" Name="Asn->Asp" Abbreviation="Asn->Asp" ID="546" UnimodAccession="621" DeltaMass="0.98402" DeltaAverageMass="0.98480" IsSubstitution="False" LeavingGroup="" Substitution="H(-1) N(-1) O" PositionType="Any" /> 2EDB1DFD-FA0F-49B5-B8F4-EEF90C922903 True False 39EFA907-9435-46E1-9AF8-1203D547387A