private void SaveParameters(MFEInputParameters mfeInputParams) { IPSetAlignmentInfo pSetAlignmentInfo = mfeInputParams.AllParameters[MFEPSetKeys.ALIGNMENT_INFO] as IPSetAlignmentInfo; IPSetChargeStateAssignment chargeStateInfo = mfeInputParams.AllParameters[MFEPSetKeys.CHARGE_STATE_ASSIGNMENT] as IPSetChargeStateAssignment; IPSetMassHunterProcessing mfeProcessingInfo = mfeInputParams.AllParameters[MFEPSetKeys.MASS_HUNTER_PROCESSING] as IPSetMassHunterProcessing; PSetCpdGroupFilters filterInfo = mfeInputParams.AllParameters[MFEPSetKeys.MFE_CPD_GROUP_FILTERS] as PSetCpdGroupFilters; InputParametersUtil.SavePSet(qualAppLogic, pSetAlignmentInfo, QualDAMethod.ParamKeyAlignmentInformation); InputParametersUtil.SavePSet(qualAppLogic, chargeStateInfo, QualDAMethod.ParamKeyMSChargeStateAssignment); InputParametersUtil.SavePSet(qualAppLogic, mfeProcessingInfo, QualDAMethod.ParamKeyMFEProcessing); InputParametersUtil.SavePSet(qualAppLogic, filterInfo, QualDAMethod.ParamKeyCpdGroupFilters); }
/// <summary> /// Get the correlation algorithm's alignment parameters (for rMFE and filters) /// </summary> /// <returns></returns> protected CnEngine.UserParameters GetAlignmentParameters() { var rv = new CnEngine.UserParameters(); IPSetAlignmentInfo psetAlign = m_AppManager[QualDAMethod.ParamKeyAlignmentInformation] as IPSetAlignmentInfo; double[] rtTimeCorrelation = new[] { psetAlign.RTMinutes, psetAlign.RTPercent / 100 }; double[] msTolerance = new[] { psetAlign.MassWindowDa / 1000, psetAlign.MassWindowPpm / 1000000 }; rv.TimeToleranceFunctionForCorrelation = new FunctionLinear(rtTimeCorrelation); rv.MassToleranceFunction = new FunctionLinear(msTolerance); return(rv); }
public MFEInputParameters GetParameters() { MFEInputParameters mfeInputParams = new MFEInputParameters(); IPSetAlignmentInfo pSetAlignment = InputParametersUtil.GetAlignmentParameters(qualAppLogic); mfeInputParams.AllParameters.Add(MFEPSetKeys.ALIGNMENT_INFO, pSetAlignment); IPSetMassHunterProcessing extractionParams = InputParametersUtil.GetMFEProcessingParameters(qualAppLogic); mfeInputParams.AllParameters.Add(MFEPSetKeys.MASS_HUNTER_PROCESSING, extractionParams); IPSetChargeStateAssignment chargestateParams = InputParametersUtil.GetChargeStateParameters(qualAppLogic); mfeInputParams.AllParameters.Add(MFEPSetKeys.CHARGE_STATE_ASSIGNMENT, chargestateParams); PSetCpdGroupFilters filterInfo = InputParametersUtil.GetFilterParameters(qualAppLogic); mfeInputParams.AllParameters.Add(MFEPSetKeys.MFE_CPD_GROUP_FILTERS, filterInfo); return(mfeInputParams); }
public static IPSetAlignmentInfo GetAlignmentParameters(ProfinderLogic AppLogic) { IPSetAlignmentInfo alignmentInfo = AppLogic[QualDAMethod.ParamKeyAlignmentInformation] as IPSetAlignmentInfo; return(alignmentInfo); }