kekule
Version:
Open source JavaScript toolkit for chemoinformatics
212 lines (208 loc) • 7.77 kB
JavaScript
/*
* requires /io/jcamp/kekule.io.jcamp.base.js
*/
(function(){
;
// Add label maps of JCAMP-DX
Kekule.IO.Jcamp.Labels.addMaps([
['JCAMPCS', 'JcampCsVersion'],
['JCAMPDX', 'JcampDxVersion'],
['TITLE', 'Title'],
['DATATYPE', 'DataType'],
['DATACLASS', 'DataClass'],
['XUNITS', 'XUnits'],
['YUNITS', 'YUnits'],
['XFACTOR', 'XFactor'],
['YFACTOR', 'YFactor'],
['FIRSTX', 'FirstX'],
['LASTX', 'LastX'],
['FIRSTY', 'FirstY'],
['MAXX', 'MaxX'],
['MINX', 'MinX'],
['MAXY', 'MaxY'],
['MINY', 'MinY'],
['DELTAX', 'DeltaX'],
['NPOINTS', 'NPoints'],
['XYDATA', 'XYData'],
['XYPOINTS', 'XYPoints'],
['PEAKASSIGNMENTS', 'PeakAssignments'],
['PEAKTABLE', 'PeakTable'],
['CLASS', 'Class'],
['ORIGIN', 'Origin'],
['OWNER', 'Owner'],
['DATE', 'Date'],
['TIME', 'Time'],
['LONGDATE', 'LongDate'],
['SOURCEREFERENCE', 'SourceReference'],
['CROSSREFERENCE', 'CrossReference'],
['SAMPLEDESCRIPTION', 'SampleDescription'],
['CASNAME', 'CASName'],
['NAMES', 'Names'],
['MOLFORM', 'MolForm'],
['IUPACNAME', 'IUPACName'],
['CASREGISTRYNO', 'CASRegistryNo'],
['WISWESSER', 'Wiswesser'],
['BEILSTEINLAWSONNO', 'BeilsteinLawsonNo'],
['BP', 'BP'],
['MP', 'MP'],
['PRESSURE', 'Pressure'],
['TEMPERATURE', 'Temperature'],
['STATE', 'State'],
['REFRACTIVEINDEX', 'RefractiveIndex'],
['DENSITY', 'Density'],
['MW', 'MW'],
['CONCENTRATIONS', 'Concentrations'],
['SOLVENTNAME', 'SolventName'],
['SPECTROMETERDATASYSTEM', 'SpectrometerDataSystem'],
['INSTRUMENTALPARAMETERS', 'InstrumentalParameters'],
['INSTRUMENTPARAMETERS', 'InstrumentParameters'],
['SAMPLINGPROCEDURE', 'SamplingProcedure'],
['RESOLUTION', 'Resolution'],
['PATHLENGTH', 'PathLength'],
['DATAPROCESSING', 'DataProcessing'],
['XLABEL', 'XLabel'],
['YLABEL', 'YLabel'],
['AUDITTRAIL', 'AuditTrail'],
['COMMENTS', 'Comments'],
['END', 'END'],
['BLOCKS', 'BLOCKS'],
['BLOCKID', 'BLOCKID'],
['NTUPLES', 'NTUPLES'],
['ENDNTUPLES', 'ENDNTUPLES'],
['PAGE', 'PAGE'],
['DATATABLE', 'DataTable'],
['VARDIM', 'VARDIM'],
['VARFORM', 'VARFORM'],
['VARNAME', 'VARNAME'],
['VARTYPE', 'VARTYPE'],
['FACTOR', 'Factor'],
['FIRST', 'First'],
['LAST', 'Last'],
['MAX', 'Max'],
['MIN', 'Min'],
['SYMBOL', 'Symbol'],
['UNITS', 'Units'],
['.METHOD', 'EMR.Method'], //EMR
['.DETECTIONMODE', 'EMR.DetectionMode'], //EMR
['.DETECTIONMETHOD', 'EMR.DetectionMethod'], //EMR
['.MICROWAVEFREQUENCY1', 'EMR.MicrowaveFrequency1'], //EMR
['.MICROWAVEPOWER1', 'EMR.MicrowavePower1'], //EMR
['.MICROWAVEPHASE1', 'EMR.MicrowavePhase1'], //EMR
['.MICROWAVEFREQUENCY2', 'EMR.MicrowaveFrequency2'], //EMR
['.MICROWAVEPOWER2', 'EMR.MicrowavePower2'], //EMR
['.MICROWAVEPHASE2', 'EMR.MicrowavePhase2'], //EMR
['.MODULATIONUNIT', 'EMR.ModulationUnit'], //EMR
['.MODULATIONAMPLITUDE', 'EMR.ModulationAmplitude'], //EMR
['.MODULATIONFREQUENCY', 'EMR.ModulationFrequency'], //EMR
['.RECEIVERGAIN', 'EMR.ReceiverGain'], //EMR
['.RECEIVERHARMONIC', 'EMR.ReceiverHarmonic'], //EMR
['.DETECTIONPHASE', 'EMR.DetectionPhase'], //EMR
['.SCANTIME', 'EMR.ScanTime'], //EMR
['.NUMBEROFSCANS', 'EMR.NumberofScans'], //EMR
['.GONIOMETERANGLE', 'EMR.GoniometerAngle'], //EMR
['.STATICFIELD', 'EMR.StaticField'], //EMR
['.SCANNEDRFPOWER', 'EMR.ScannedRFPower'], //EMR
['.PUMPEDRFFREQUENCY1', 'EMR.PumpedRFFrequency1'], //EMR
['.PUMPEDRFPOWER1', 'EMR.PumpedRFPower1'], //EMR
['.PUMPEDRFFREQUENCY2', 'EMR.PumpedRFFrequency2'], //EMR
['.PUMPEDRFPOWER2', 'EMR.PumpedRFPower2'], //EMR
['.GRADIENTTHETA', 'EMR.GradientTheta'], //EMR
['.GRADIENTPHI', 'EMR.GradientPhi'], //EMR
['.GRADIENTSTRENGTHINTHETAPHIDIRECTION', 'EMR.GradientStrengthinThetaPhiDirection'], //EMR
['.GRADIENTSTRENGTHX', 'EMR.GradientStrengthX'], //EMR
['.GRADIENTSTRENGTHY', 'EMR.GradientStrengthY'], //EMR
['.GRADIENTSTRENGTHZ', 'EMR.GradientStrengthZ'], //EMR
['.SIMULATIONSOURCE', 'EMR.SimulationSource'], //EMR
['.SIMULATIONPARAMETERS', 'EMR.SimulationParameters'], //EMR
['.RESONATOR', 'EMR.Resonator'], //EMR
['.TIMECONSTANT', 'EMR.TimeConstant'], //EMR
['.CALIBRATIONSTANDARD', 'EMR.CalibrationStandard'], //EMR
['.XOFFSET', 'EMR.X_Offset'], //EMR
['.AVERAGES', 'IMS.Averages'], //IMS
['.CARRIERGAS', 'IMS.CarrierGas'], //IMS
['.CARRIERGASFLOW', 'IMS.CarrierGasFlow'], //IMS
['.CARRIERGASMOISTURE', 'IMS.CarrierGasMoisture'], //IMS
['.DRIFTCHAMBER', 'IMS.DriftChamber'], //IMS
['.DRIFTGAS', 'IMS.DriftGas'], //IMS
['.DRIFTGASFLOW', 'IMS.DriftGasFlow'], //IMS
['.ELECTRICFIELD', 'IMS.ElectricField'], //IMS
['.IONIZATIONCHAMBER', 'IMS.IonizationChamber'], //IMS
['.IONIZATIONENERGY', 'IMS.IonizationEnergy'], //IMS
['.IONIZATIONMODE', 'IMS.IonizationMode'], //IMS
['.IONIZATIONSOURCE', 'IMS.IonizationSource'], //IMS
['.IONPOLARITY', 'IMS.IonPolarity'], //IMS
['.PRESSURE', 'IMS.Pressure'], //IMS
['.TEMPERATURE', 'IMS.Temperature'], //IMS
['.REDUCEDMOBILITY', 'IMS.ReducedMobility'], //IMS
['.REPETITIONRATE', 'IMS.RepititionRate'], //IMS
['.SHUTTERGRIDPOTENTIAL', 'IMS.ShutterGridPotential'], //IMS
['.SHUTTEROPENINGTIME', 'IMS.ShutterOpeningTime'], //IMS
['.ACCELERATINGVOLTAGE', 'MS.AcceleratingVoltage'], //MS
['.BASEPEAK', 'MS.Basepeak'], //MS
['.BASEPEAKINTENSITY', 'MS.BasepeakIntensity'], //MS
['.MONOISOTOPICMASS', 'MS.MonoisotopicMass'], //MS
['.NOMINALMASS', 'MS.NominalMass'], //MS
['.RETENTIONTIME', 'MS.RetentionTime'], //MS
['.RIC', 'MS.RIC'], //MS
['.SCANNUMBER', 'MS.ScanNumber'], //MS
['.SCANRATE', 'MS.ScanRate'], //MS
['.SOURCETEMPERATURE', 'MS.SourceTemperature'], //MS
['.SPECTROMETERTYPE', 'MS.SpectrometerType'], //MS
['.TOTALIONCURRENT', 'MS.TotalIonCurrent'], //MS
['.DETECTOR', 'MS.Detector'], //MS
['.INLET', 'MS.Inlet'], //MS
['.INLETTEMPERATURE', 'MS.InletTemperature'], //MS
['.IONIZATIONENERGY', 'MS.IonizationEnergy'], //MS
['.IONIZATIONMODE', 'MS.IonizationMode'], //MS
['.ACQUISITIONMODE', 'NMR.AcquisitionMode'], //NMR
['.ACQUISITIONRANGE', 'NMR.AcquisitionRange'], //MS
['.ACQUISITIONTIME', 'NMR.AcquisitionTime'], //NMR
['.AVERAGES', 'NMR.Averages'], //NMR
['.COUPLINGCONSTANTS', 'NMR.CouplingConstants'], //NMR
['.DECOUPLER', 'NMR.Decoupler'], //NMR
['.DELAY', 'NMR.Delay'], //NMR
['.DIGITISERRES', 'NMR.DigitiserRes'], //NMR
['.FIELD', 'NMR.Field'], //NMR
['.FILTERWIDTH', 'NMR.FilterWidth'], //NMR
['.MASFREQUENCY', 'NMR.MASFrequency'], //NMR
['.MAXINTENSITY', 'NMR.MaxIntensity'], //NMR
['.MININTENSITY', 'NMR.MinIntensity'], //NMR
['.OBSERVE90', 'NMR.Observe90'], //NMR
['.OBSERVEFREQUENCY', 'NMR.ObserveFrequency'], //NMR
['.OBSERVENUCLEUS', 'NMR.ObserveNucleus'], //NMR
['.PHASE0', 'NMR.Phase0'], //NMR
['.PHASE1', 'NMR.Phase1'], //NMR
['.PULSESEQUENCE', 'NMR.PulseSequence'], //NMR
['.RELAXATIONTIMES', 'NMR.RelaxationTimes'], //NMR
['.SHIFTREFERENCE', 'NMR.ShiftReference'], //NMR
['.SOLVENTREFERENCE', 'NMR.SolventReference'], //NMR
['.SPINNINGRATE', 'NMR.SpinningRate'], //NMR
['.ZEROFILL', 'NMR.ZeroFill'], //NMR
['AFACTOR', 'AFactor'],
['ALIAS', 'Alias'],
['AUNITS', 'AUnits'],
['FIRSTA', 'FirstA'],
['MAXA', 'MaxA'],
['MINA', 'MinA'],
['DELTAR', 'DeltaR'],
['FIRSTR', 'FirstR'],
['LASTR', 'LastR'],
['RADATA', 'RAData'],
['RFACTOR', 'RFactor'],
['RUNITS', 'RUnits'],
['ZPD', 'ZPD'],
['ATOMLIST', 'AtomList'],
['BONDLIST', 'BondList'],
['CHARGE', 'Charge'],
['MAXRASTER', 'MaxRaster'],
['MAXXYZ', 'MaxXYZ'],
['RADICAL', 'Radical'],
['STEREOCENTER', 'Stereocenter'],
['STEREOMOLECULE', 'Stereomolecule'],
['STEREOPAIR', 'Stereopair'],
['XYRASTER', 'XYRaster'],
['XYZ', 'XYZ'],
['XYZFACTOR', 'XYZFactor'],
['XYZSOURCE', 'XYZSource']
]);
})();