Wed May 08 16:01:22.930 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis Wed May 08 16:01:22.930 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P4_A05\1\pdata\1 Wed May 08 16:01:22.961 CEST 2019: Solvent of PROTON: H2O Wed May 08 16:01:22.961 CEST 2019: TD: 32768 SI: 65536 SW: 12.016 Wed May 08 16:01:22.976 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876 Wed May 08 16:01:23.008 CEST 2019: No HSQC data available Wed May 08 16:01:23.039 CEST 2019: No C13 data available Wed May 08 16:01:23.086 CEST 2019: No HMBC data available Wed May 08 16:01:23.086 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s. Wed May 08 16:01:23.133 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.04 s. Wed May 08 16:01:23.743 CEST 2019: Structure is used: true Wed May 08 16:01:23.774 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P4_A05/1/A05.mol Wed May 08 16:01:23.774 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.63 s. Wed May 08 16:01:23.790 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s. Wed May 08 16:01:23.805 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s. Wed May 08 16:01:23.805 CEST 2019: Spectrum is not 13C decoupled. Wed May 08 16:01:23.820 CEST 2019: Spectrum does not contain ERETIC signal. Wed May 08 16:01:23.820 CEST 2019: Spectrum is suppressed. Wed May 08 16:01:23.820 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.02 s. Wed May 08 16:01:23.836 CEST 2019: Suppression frequencies at: 4.650 Wed May 08 16:01:23.836 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s. Wed May 08 16:01:23.852 CEST 2019: Expected impurity: TSP Wed May 08 16:01:23.867 CEST 2019: Expected impurity: DMSO_D5 Wed May 08 16:01:23.867 CEST 2019: Expected impurity: CustomImpurity [isActive=true, identifier=Imp1, protonShiftLimitAPpm=2.4, protonShiftLimitBPpm=2.5, protonMultiplicity=other, protonCouplingHz=[], protonNumber=0, carbonShiftLimitAPpm=-100.0, carbonShiftLimitBPpm=-100.0, carbonNumber=0] Wed May 08 16:01:23.883 CEST 2019: Expected impurity: CustomImpurity [isActive=true, identifier=Imp2, protonShiftLimitAPpm=2.7, protonShiftLimitBPpm=2.76, protonMultiplicity=other, protonCouplingHz=[], protonNumber=0, carbonShiftLimitAPpm=-100.0, carbonShiftLimitBPpm=-100.0, carbonNumber=0] Wed May 08 16:01:23.883 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.04 s. Wed May 08 16:01:23.898 CEST 2019: RMSD noise: 715.403 (10.098/9.598) Wed May 08 16:01:23.898 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s. Wed May 08 16:01:23.914 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s. Wed May 08 16:01:23.930 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s. Wed May 08 16:01:23.961 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.03 s. Wed May 08 16:01:24.245 CEST 2019: Number of Peaks: (98, 20) Wed May 08 16:01:24.293 CEST 2019: Elapsed time for evaluation (PP Suite): 0.32 s. Wed May 08 16:01:24.293 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s. Wed May 08 16:01:24.309 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s. Wed May 08 16:01:24.309 CEST 2019: Signal-to-Noise ratio: 2226.74 (0.758 ppm) Wed May 08 16:01:24.324 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s. Wed May 08 16:01:24.324 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s. Wed May 08 16:01:24.340 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.55 s. Wed May 08 16:01:24.418 CEST 2019: Number of Multiplets: 176 Wed May 08 16:01:24.434 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.08 s. Wed May 08 16:01:24.590 CEST 2019: Number of Peak Cluster: 33 Wed May 08 16:01:24.590 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.16 s. Wed May 08 16:01:24.668 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.06 s. Wed May 08 16:01:25.139 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.45 s. Wed May 08 16:01:25.155 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.01 s. Wed May 08 16:01:25.171 CEST 2019: Elapsed time for evaluation (PE Suite): 0.01 s. Wed May 08 16:01:25.186 CEST 2019: Number of consistent PNS: 6 Wed May 08 16:01:25.202 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.02 s. Wed May 08 16:01:25.202 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.00 s. Wed May 08 16:01:25.633 CEST 2019: No AssignmentSolution for pns 4.452261018004115E-8 java.util.NoSuchElementException: null at java.util.TreeMap.key(TreeMap.java:1327) ~[?:1.8.0_192] at java.util.TreeMap.firstKey(TreeMap.java:290) ~[?:1.8.0_192] at java.util.TreeSet.first(TreeSet.java:394) ~[?:1.8.0_192] at de.bruker.nmr.an.sq1h.assign.AssignmentSeeker.setCountersToBestSolution(AssignmentSeeker.java:220) [sq1h-3.6.1.jar:?] at de.bruker.nmr.an.sq1h.assign.AssignmentSeekerClockWork.cleverlyCombineListsIteratively(AssignmentSeekerClockWork.java:340) [sq1h-3.6.1.jar:?] at de.bruker.nmr.an.sq1h.assign.AssignmentSeekerClockWork.seekAssignments(AssignmentSeekerClockWork.java:65) [sq1h-3.6.1.jar:?] at de.bruker.nmr.an.sq1h.assign.AssignmentSeekerSimulatedAnnealing.simulatedAnnealingAlgorithm(AssignmentSeekerSimulatedAnnealing.java:135) [sq1h-3.6.1.jar:?] at de.bruker.nmr.an.sq1h.assign.AssignmentSeekerSimulatedAnnealing.seekAssignments(AssignmentSeekerSimulatedAnnealing.java:92) [sq1h-3.6.1.jar:?] at de.bruker.nmr.an.sq1h.assign.AssignatorStructure.generateAssignmentSolutionsForPns(AssignatorStructure.java:355) [sq1h-3.6.1.jar:?] at de.bruker.nmr.an.sq1h.assign.AssignatorStructure.generateAssignmentSolutionsForPns(AssignatorStructure.java:281) [sq1h-3.6.1.jar:?] at de.bruker.nmr.an.sq1h.assign.AssignatorStructure.generateAssignmentSolutionsByIterationThroughPnsList(AssignatorStructure.java:234) [sq1h-3.6.1.jar:?] at de.bruker.nmr.an.sq1h.assign.AssignatorStructure.generateAssignments(AssignatorStructure.java:103) [sq1h-3.6.1.jar:?] at de.bruker.nmr.an.sq1h.assign.AssignmentSuite.executeState(AssignmentSuite.java:90) [sq1h-3.6.1.jar:?] at de.bruker.nmr.an.sq1h.machine.StateBase.execute(StateBase.java:72) [sq1h-3.6.1.jar:?] at de.bruker.nmr.an.sq1h.machine.StateMachineBase.execute(StateMachineBase.java:196) [sq1h-3.6.1.jar:?] at de.bruker.nmr.an.sq1h.machine.StateMachineBase.start(StateMachineBase.java:88) [sq1h-3.6.1.jar:?] at de.bruker.nmr.an.sq1h.Spectrum_Quantification_1H.analysisRoutine(Spectrum_Quantification_1H.java:403) [sq1h-3.6.1.jar:?] at de.bruker.nmr.an.sq1h.Spectrum_Quantification_1H.launchAnalysis(Spectrum_Quantification_1H.java:317) [sq1h-3.6.1.jar:?] at de.bruker.nmr.an.sq1h.Spectrum_Quantification_1H.commandInterpreter(Spectrum_Quantification_1H.java:169) [sq1h-3.6.1.jar:?] at sun.reflect.NativeMethodAccessorImpl.invoke0(Native Method) ~[?:1.8.0_192] at sun.reflect.NativeMethodAccessorImpl.invoke(NativeMethodAccessorImpl.java:62) ~[?:1.8.0_192] at sun.reflect.DelegatingMethodAccessorImpl.invoke(DelegatingMethodAccessorImpl.java:43) ~[?:1.8.0_192] at java.lang.reflect.Method.invoke(Method.java:498) ~[?:1.8.0_192] at de.bruker.nmr.mfw.base.CmdThreadImpl.executeMethod(CmdThreadImpl.java:652) [top_base-3.6.1.jar:?] at de.bruker.nmr.mfw.base.CmdThreadImpl.doJmethod(CmdThreadImpl.java:561) [top_base-3.6.1.jar:?] at de.bruker.nmr.mfw.base.CmdThreadImpl.exec(CmdThreadImpl.java:518) [top_base-3.6.1.jar:?] at de.bruker.nmr.mfw.base.CmdThreadImpl.run(CmdThreadImpl.java:494) [top_base-3.6.1.jar:?] java.util.TreeMap.key(TreeMap.java:1327) java.util.TreeMap.firstKey(TreeMap.java:290) java.util.TreeSet.first(TreeSet.java:394) de.bruker.nmr.an.sq1h.assign.AssignmentSeeker.setCountersToBestSolution(AssignmentSeeker.java:220) de.bruker.nmr.an.sq1h.assign.AssignmentSeekerClockWork.cleverlyCombineListsIteratively(AssignmentSeekerClockWork.java:340) de.bruker.nmr.an.sq1h.assign.AssignmentSeekerClockWork.seekAssignments(AssignmentSeekerClockWork.java:65) de.bruker.nmr.an.sq1h.assign.AssignmentSeekerSimulatedAnnealing.simulatedAnnealingAlgorithm(AssignmentSeekerSimulatedAnnealing.java:135) de.bruker.nmr.an.sq1h.assign.AssignmentSeekerSimulatedAnnealing.seekAssignments(AssignmentSeekerSimulatedAnnealing.java:92) de.bruker.nmr.an.sq1h.assign.AssignatorStructure.generateAssignmentSolutionsForPns(AssignatorStructure.java:355) de.bruker.nmr.an.sq1h.assign.AssignatorStructure.generateAssignmentSolutionsForPns(AssignatorStructure.java:281) de.bruker.nmr.an.sq1h.assign.AssignatorStructure.generateAssignmentSolutionsByIterationThroughPnsList(AssignatorStructure.java:234) de.bruker.nmr.an.sq1h.assign.AssignatorStructure.generateAssignments(AssignatorStructure.java:103) de.bruker.nmr.an.sq1h.assign.AssignmentSuite.executeState(AssignmentSuite.java:90) de.bruker.nmr.an.sq1h.machine.StateBase.execute(StateBase.java:72) de.bruker.nmr.an.sq1h.machine.StateMachineBase.execute(StateMachineBase.java:196) de.bruker.nmr.an.sq1h.machine.StateMachineBase.start(StateMachineBase.java:88) de.bruker.nmr.an.sq1h.Spectrum_Quantification_1H.analysisRoutine(Spectrum_Quantification_1H.java:403) de.bruker.nmr.an.sq1h.Spectrum_Quantification_1H.launchAnalysis(Spectrum_Quantification_1H.java:317) de.bruker.nmr.an.sq1h.Spectrum_Quantification_1H.commandInterpreter(Spectrum_Quantification_1H.java:169) sun.reflect.NativeMethodAccessorImpl.invoke0(Native Method) sun.reflect.NativeMethodAccessorImpl.invoke(NativeMethodAccessorImpl.java:62) sun.reflect.DelegatingMethodAccessorImpl.invoke(DelegatingMethodAccessorImpl.java:43) java.lang.reflect.Method.invoke(Method.java:498) de.bruker.nmr.mfw.base.CmdThreadImpl.executeMethod(CmdThreadImpl.java:652) de.bruker.nmr.mfw.base.CmdThreadImpl.doJmethod(CmdThreadImpl.java:561) de.bruker.nmr.mfw.base.CmdThreadImpl.exec(CmdThreadImpl.java:518) de.bruker.nmr.mfw.base.CmdThreadImpl.run(CmdThreadImpl.java:494) Wed May 08 16:01:26.983 CEST 2019: No AssignmentSolution for pns 4.871429431055844E-8 java.util.NoSuchElementException: null at java.util.TreeMap.key(TreeMap.java:1327) ~[?:1.8.0_192] at java.util.TreeMap.firstKey(TreeMap.java:290) ~[?:1.8.0_192] at java.util.TreeSet.first(TreeSet.java:394) ~[?:1.8.0_192] at de.bruker.nmr.an.sq1h.assign.AssignmentSeeker.setCountersToBestSolution(AssignmentSeeker.java:220) [sq1h-3.6.1.jar:?] at de.bruker.nmr.an.sq1h.assign.AssignmentSeekerClockWork.cleverlyCombineListsIteratively(AssignmentSeekerClockWork.java:340) [sq1h-3.6.1.jar:?] at de.bruker.nmr.an.sq1h.assign.AssignmentSeekerClockWork.seekAssignments(AssignmentSeekerClockWork.java:65) [sq1h-3.6.1.jar:?] at de.bruker.nmr.an.sq1h.assign.AssignmentSeekerSimulatedAnnealing.simulatedAnnealingAlgorithm(AssignmentSeekerSimulatedAnnealing.java:135) [sq1h-3.6.1.jar:?] at de.bruker.nmr.an.sq1h.assign.AssignmentSeekerSimulatedAnnealing.seekAssignments(AssignmentSeekerSimulatedAnnealing.java:92) [sq1h-3.6.1.jar:?] at de.bruker.nmr.an.sq1h.assign.AssignatorStructure.generateAssignmentSolutionsForPns(AssignatorStructure.java:355) [sq1h-3.6.1.jar:?] at de.bruker.nmr.an.sq1h.assign.AssignatorStructure.generateAssignmentSolutionsForPns(AssignatorStructure.java:281) [sq1h-3.6.1.jar:?] at de.bruker.nmr.an.sq1h.assign.AssignatorStructure.generateAssignmentSolutionsByIterationThroughPnsList(AssignatorStructure.java:234) [sq1h-3.6.1.jar:?] at de.bruker.nmr.an.sq1h.assign.AssignatorStructure.generateAssignments(AssignatorStructure.java:103) [sq1h-3.6.1.jar:?] at de.bruker.nmr.an.sq1h.assign.AssignmentSuite.executeState(AssignmentSuite.java:90) [sq1h-3.6.1.jar:?] at de.bruker.nmr.an.sq1h.machine.StateBase.execute(StateBase.java:72) [sq1h-3.6.1.jar:?] at de.bruker.nmr.an.sq1h.machine.StateMachineBase.execute(StateMachineBase.java:196) [sq1h-3.6.1.jar:?] at de.bruker.nmr.an.sq1h.machine.StateMachineBase.start(StateMachineBase.java:88) [sq1h-3.6.1.jar:?] at de.bruker.nmr.an.sq1h.Spectrum_Quantification_1H.analysisRoutine(Spectrum_Quantification_1H.java:403) [sq1h-3.6.1.jar:?] at de.bruker.nmr.an.sq1h.Spectrum_Quantification_1H.launchAnalysis(Spectrum_Quantification_1H.java:317) [sq1h-3.6.1.jar:?] at de.bruker.nmr.an.sq1h.Spectrum_Quantification_1H.commandInterpreter(Spectrum_Quantification_1H.java:169) [sq1h-3.6.1.jar:?] at sun.reflect.NativeMethodAccessorImpl.invoke0(Native Method) ~[?:1.8.0_192] at sun.reflect.NativeMethodAccessorImpl.invoke(NativeMethodAccessorImpl.java:62) ~[?:1.8.0_192] at sun.reflect.DelegatingMethodAccessorImpl.invoke(DelegatingMethodAccessorImpl.java:43) ~[?:1.8.0_192] at java.lang.reflect.Method.invoke(Method.java:498) ~[?:1.8.0_192] at de.bruker.nmr.mfw.base.CmdThreadImpl.executeMethod(CmdThreadImpl.java:652) [top_base-3.6.1.jar:?] at de.bruker.nmr.mfw.base.CmdThreadImpl.doJmethod(CmdThreadImpl.java:561) [top_base-3.6.1.jar:?] at de.bruker.nmr.mfw.base.CmdThreadImpl.exec(CmdThreadImpl.java:518) [top_base-3.6.1.jar:?] at de.bruker.nmr.mfw.base.CmdThreadImpl.run(CmdThreadImpl.java:494) [top_base-3.6.1.jar:?] java.util.TreeMap.key(TreeMap.java:1327) java.util.TreeMap.firstKey(TreeMap.java:290) java.util.TreeSet.first(TreeSet.java:394) de.bruker.nmr.an.sq1h.assign.AssignmentSeeker.setCountersToBestSolution(AssignmentSeeker.java:220) de.bruker.nmr.an.sq1h.assign.AssignmentSeekerClockWork.cleverlyCombineListsIteratively(AssignmentSeekerClockWork.java:340) de.bruker.nmr.an.sq1h.assign.AssignmentSeekerClockWork.seekAssignments(AssignmentSeekerClockWork.java:65) de.bruker.nmr.an.sq1h.assign.AssignmentSeekerSimulatedAnnealing.simulatedAnnealingAlgorithm(AssignmentSeekerSimulatedAnnealing.java:135) de.bruker.nmr.an.sq1h.assign.AssignmentSeekerSimulatedAnnealing.seekAssignments(AssignmentSeekerSimulatedAnnealing.java:92) de.bruker.nmr.an.sq1h.assign.AssignatorStructure.generateAssignmentSolutionsForPns(AssignatorStructure.java:355) de.bruker.nmr.an.sq1h.assign.AssignatorStructure.generateAssignmentSolutionsForPns(AssignatorStructure.java:281) de.bruker.nmr.an.sq1h.assign.AssignatorStructure.generateAssignmentSolutionsByIterationThroughPnsList(AssignatorStructure.java:234) de.bruker.nmr.an.sq1h.assign.AssignatorStructure.generateAssignments(AssignatorStructure.java:103) de.bruker.nmr.an.sq1h.assign.AssignmentSuite.executeState(AssignmentSuite.java:90) de.bruker.nmr.an.sq1h.machine.StateBase.execute(StateBase.java:72) de.bruker.nmr.an.sq1h.machine.StateMachineBase.execute(StateMachineBase.java:196) de.bruker.nmr.an.sq1h.machine.StateMachineBase.start(StateMachineBase.java:88) de.bruker.nmr.an.sq1h.Spectrum_Quantification_1H.analysisRoutine(Spectrum_Quantification_1H.java:403) de.bruker.nmr.an.sq1h.Spectrum_Quantification_1H.launchAnalysis(Spectrum_Quantification_1H.java:317) de.bruker.nmr.an.sq1h.Spectrum_Quantification_1H.commandInterpreter(Spectrum_Quantification_1H.java:169) sun.reflect.NativeMethodAccessorImpl.invoke0(Native Method) sun.reflect.NativeMethodAccessorImpl.invoke(NativeMethodAccessorImpl.java:62) sun.reflect.DelegatingMethodAccessorImpl.invoke(DelegatingMethodAccessorImpl.java:43) java.lang.reflect.Method.invoke(Method.java:498) de.bruker.nmr.mfw.base.CmdThreadImpl.executeMethod(CmdThreadImpl.java:652) de.bruker.nmr.mfw.base.CmdThreadImpl.doJmethod(CmdThreadImpl.java:561) de.bruker.nmr.mfw.base.CmdThreadImpl.exec(CmdThreadImpl.java:518) de.bruker.nmr.mfw.base.CmdThreadImpl.run(CmdThreadImpl.java:494) Wed May 08 16:01:28.229 CEST 2019: No AssignmentSolution for pns 4.9925469214760683E-8 java.util.NoSuchElementException: null at java.util.TreeMap.key(TreeMap.java:1327) ~[?:1.8.0_192] at java.util.TreeMap.firstKey(TreeMap.java:290) ~[?:1.8.0_192] at java.util.TreeSet.first(TreeSet.java:394) ~[?:1.8.0_192] at de.bruker.nmr.an.sq1h.assign.AssignmentSeeker.setCountersToBestSolution(AssignmentSeeker.java:220) [sq1h-3.6.1.jar:?] at de.bruker.nmr.an.sq1h.assign.AssignmentSeekerClockWork.cleverlyCombineListsIteratively(AssignmentSeekerClockWork.java:340) [sq1h-3.6.1.jar:?] at de.bruker.nmr.an.sq1h.assign.AssignmentSeekerClockWork.seekAssignments(AssignmentSeekerClockWork.java:65) [sq1h-3.6.1.jar:?] at de.bruker.nmr.an.sq1h.assign.AssignmentSeekerSimulatedAnnealing.simulatedAnnealingAlgorithm(AssignmentSeekerSimulatedAnnealing.java:135) [sq1h-3.6.1.jar:?] at de.bruker.nmr.an.sq1h.assign.AssignmentSeekerSimulatedAnnealing.seekAssignments(AssignmentSeekerSimulatedAnnealing.java:92) [sq1h-3.6.1.jar:?] at de.bruker.nmr.an.sq1h.assign.AssignatorStructure.generateAssignmentSolutionsForPns(AssignatorStructure.java:355) [sq1h-3.6.1.jar:?] at de.bruker.nmr.an.sq1h.assign.AssignatorStructure.generateAssignmentSolutionsForPns(AssignatorStructure.java:281) [sq1h-3.6.1.jar:?] at de.bruker.nmr.an.sq1h.assign.AssignatorStructure.generateAssignmentSolutionsByIterationThroughPnsList(AssignatorStructure.java:234) [sq1h-3.6.1.jar:?] at de.bruker.nmr.an.sq1h.assign.AssignatorStructure.generateAssignments(AssignatorStructure.java:103) [sq1h-3.6.1.jar:?] at de.bruker.nmr.an.sq1h.assign.AssignmentSuite.executeState(AssignmentSuite.java:90) [sq1h-3.6.1.jar:?] at de.bruker.nmr.an.sq1h.machine.StateBase.execute(StateBase.java:72) [sq1h-3.6.1.jar:?] at de.bruker.nmr.an.sq1h.machine.StateMachineBase.execute(StateMachineBase.java:196) [sq1h-3.6.1.jar:?] at de.bruker.nmr.an.sq1h.machine.StateMachineBase.start(StateMachineBase.java:88) [sq1h-3.6.1.jar:?] at de.bruker.nmr.an.sq1h.Spectrum_Quantification_1H.analysisRoutine(Spectrum_Quantification_1H.java:403) [sq1h-3.6.1.jar:?] at de.bruker.nmr.an.sq1h.Spectrum_Quantification_1H.launchAnalysis(Spectrum_Quantification_1H.java:317) [sq1h-3.6.1.jar:?] at de.bruker.nmr.an.sq1h.Spectrum_Quantification_1H.commandInterpreter(Spectrum_Quantification_1H.java:169) [sq1h-3.6.1.jar:?] at sun.reflect.NativeMethodAccessorImpl.invoke0(Native Method) ~[?:1.8.0_192] at sun.reflect.NativeMethodAccessorImpl.invoke(NativeMethodAccessorImpl.java:62) ~[?:1.8.0_192] at sun.reflect.DelegatingMethodAccessorImpl.invoke(DelegatingMethodAccessorImpl.java:43) ~[?:1.8.0_192] at java.lang.reflect.Method.invoke(Method.java:498) ~[?:1.8.0_192] at de.bruker.nmr.mfw.base.CmdThreadImpl.executeMethod(CmdThreadImpl.java:652) [top_base-3.6.1.jar:?] at de.bruker.nmr.mfw.base.CmdThreadImpl.doJmethod(CmdThreadImpl.java:561) [top_base-3.6.1.jar:?] at de.bruker.nmr.mfw.base.CmdThreadImpl.exec(CmdThreadImpl.java:518) [top_base-3.6.1.jar:?] at de.bruker.nmr.mfw.base.CmdThreadImpl.run(CmdThreadImpl.java:494) [top_base-3.6.1.jar:?] java.util.TreeMap.key(TreeMap.java:1327) java.util.TreeMap.firstKey(TreeMap.java:290) java.util.TreeSet.first(TreeSet.java:394) de.bruker.nmr.an.sq1h.assign.AssignmentSeeker.setCountersToBestSolution(AssignmentSeeker.java:220) de.bruker.nmr.an.sq1h.assign.AssignmentSeekerClockWork.cleverlyCombineListsIteratively(AssignmentSeekerClockWork.java:340) de.bruker.nmr.an.sq1h.assign.AssignmentSeekerClockWork.seekAssignments(AssignmentSeekerClockWork.java:65) de.bruker.nmr.an.sq1h.assign.AssignmentSeekerSimulatedAnnealing.simulatedAnnealingAlgorithm(AssignmentSeekerSimulatedAnnealing.java:135) de.bruker.nmr.an.sq1h.assign.AssignmentSeekerSimulatedAnnealing.seekAssignments(AssignmentSeekerSimulatedAnnealing.java:92) de.bruker.nmr.an.sq1h.assign.AssignatorStructure.generateAssignmentSolutionsForPns(AssignatorStructure.java:355) de.bruker.nmr.an.sq1h.assign.AssignatorStructure.generateAssignmentSolutionsForPns(AssignatorStructure.java:281) de.bruker.nmr.an.sq1h.assign.AssignatorStructure.generateAssignmentSolutionsByIterationThroughPnsList(AssignatorStructure.java:234) de.bruker.nmr.an.sq1h.assign.AssignatorStructure.generateAssignments(AssignatorStructure.java:103) de.bruker.nmr.an.sq1h.assign.AssignmentSuite.executeState(AssignmentSuite.java:90) de.bruker.nmr.an.sq1h.machine.StateBase.execute(StateBase.java:72) de.bruker.nmr.an.sq1h.machine.StateMachineBase.execute(StateMachineBase.java:196) de.bruker.nmr.an.sq1h.machine.StateMachineBase.start(StateMachineBase.java:88) de.bruker.nmr.an.sq1h.Spectrum_Quantification_1H.analysisRoutine(Spectrum_Quantification_1H.java:403) de.bruker.nmr.an.sq1h.Spectrum_Quantification_1H.launchAnalysis(Spectrum_Quantification_1H.java:317) de.bruker.nmr.an.sq1h.Spectrum_Quantification_1H.commandInterpreter(Spectrum_Quantification_1H.java:169) sun.reflect.NativeMethodAccessorImpl.invoke0(Native Method) sun.reflect.NativeMethodAccessorImpl.invoke(NativeMethodAccessorImpl.java:62) sun.reflect.DelegatingMethodAccessorImpl.invoke(DelegatingMethodAccessorImpl.java:43) java.lang.reflect.Method.invoke(Method.java:498) de.bruker.nmr.mfw.base.CmdThreadImpl.executeMethod(CmdThreadImpl.java:652) de.bruker.nmr.mfw.base.CmdThreadImpl.doJmethod(CmdThreadImpl.java:561) de.bruker.nmr.mfw.base.CmdThreadImpl.exec(CmdThreadImpl.java:518) de.bruker.nmr.mfw.base.CmdThreadImpl.run(CmdThreadImpl.java:494) Wed May 08 16:01:29.557 CEST 2019: No AssignmentSolution for pns 6.424279470836138E-8 java.util.NoSuchElementException: null at java.util.TreeMap.key(TreeMap.java:1327) ~[?:1.8.0_192] at java.util.TreeMap.firstKey(TreeMap.java:290) ~[?:1.8.0_192] at java.util.TreeSet.first(TreeSet.java:394) ~[?:1.8.0_192] at de.bruker.nmr.an.sq1h.assign.AssignmentSeeker.setCountersToBestSolution(AssignmentSeeker.java:220) [sq1h-3.6.1.jar:?] at de.bruker.nmr.an.sq1h.assign.AssignmentSeekerClockWork.cleverlyCombineListsIteratively(AssignmentSeekerClockWork.java:340) [sq1h-3.6.1.jar:?] at de.bruker.nmr.an.sq1h.assign.AssignmentSeekerClockWork.seekAssignments(AssignmentSeekerClockWork.java:65) [sq1h-3.6.1.jar:?] at de.bruker.nmr.an.sq1h.assign.AssignmentSeekerSimulatedAnnealing.simulatedAnnealingAlgorithm(AssignmentSeekerSimulatedAnnealing.java:135) [sq1h-3.6.1.jar:?] at de.bruker.nmr.an.sq1h.assign.AssignmentSeekerSimulatedAnnealing.seekAssignments(AssignmentSeekerSimulatedAnnealing.java:92) [sq1h-3.6.1.jar:?] at de.bruker.nmr.an.sq1h.assign.AssignatorStructure.generateAssignmentSolutionsForPns(AssignatorStructure.java:355) [sq1h-3.6.1.jar:?] at de.bruker.nmr.an.sq1h.assign.AssignatorStructure.generateAssignmentSolutionsForPns(AssignatorStructure.java:281) [sq1h-3.6.1.jar:?] at de.bruker.nmr.an.sq1h.assign.AssignatorStructure.generateAssignmentSolutionsByIterationThroughPnsList(AssignatorStructure.java:234) [sq1h-3.6.1.jar:?] at de.bruker.nmr.an.sq1h.assign.AssignatorStructure.generateAssignments(AssignatorStructure.java:103) [sq1h-3.6.1.jar:?] at de.bruker.nmr.an.sq1h.assign.AssignmentSuite.executeState(AssignmentSuite.java:90) [sq1h-3.6.1.jar:?] at de.bruker.nmr.an.sq1h.machine.StateBase.execute(StateBase.java:72) [sq1h-3.6.1.jar:?] at de.bruker.nmr.an.sq1h.machine.StateMachineBase.execute(StateMachineBase.java:196) [sq1h-3.6.1.jar:?] at de.bruker.nmr.an.sq1h.machine.StateMachineBase.start(StateMachineBase.java:88) [sq1h-3.6.1.jar:?] at de.bruker.nmr.an.sq1h.Spectrum_Quantification_1H.analysisRoutine(Spectrum_Quantification_1H.java:403) [sq1h-3.6.1.jar:?] at de.bruker.nmr.an.sq1h.Spectrum_Quantification_1H.launchAnalysis(Spectrum_Quantification_1H.java:317) [sq1h-3.6.1.jar:?] at de.bruker.nmr.an.sq1h.Spectrum_Quantification_1H.commandInterpreter(Spectrum_Quantification_1H.java:169) [sq1h-3.6.1.jar:?] at sun.reflect.NativeMethodAccessorImpl.invoke0(Native Method) ~[?:1.8.0_192] at sun.reflect.NativeMethodAccessorImpl.invoke(NativeMethodAccessorImpl.java:62) ~[?:1.8.0_192] at sun.reflect.DelegatingMethodAccessorImpl.invoke(DelegatingMethodAccessorImpl.java:43) ~[?:1.8.0_192] at java.lang.reflect.Method.invoke(Method.java:498) ~[?:1.8.0_192] at de.bruker.nmr.mfw.base.CmdThreadImpl.executeMethod(CmdThreadImpl.java:652) [top_base-3.6.1.jar:?] at de.bruker.nmr.mfw.base.CmdThreadImpl.doJmethod(CmdThreadImpl.java:561) [top_base-3.6.1.jar:?] at de.bruker.nmr.mfw.base.CmdThreadImpl.exec(CmdThreadImpl.java:518) [top_base-3.6.1.jar:?] at de.bruker.nmr.mfw.base.CmdThreadImpl.run(CmdThreadImpl.java:494) [top_base-3.6.1.jar:?] java.util.TreeMap.key(TreeMap.java:1327) java.util.TreeMap.firstKey(TreeMap.java:290) java.util.TreeSet.first(TreeSet.java:394) de.bruker.nmr.an.sq1h.assign.AssignmentSeeker.setCountersToBestSolution(AssignmentSeeker.java:220) de.bruker.nmr.an.sq1h.assign.AssignmentSeekerClockWork.cleverlyCombineListsIteratively(AssignmentSeekerClockWork.java:340) de.bruker.nmr.an.sq1h.assign.AssignmentSeekerClockWork.seekAssignments(AssignmentSeekerClockWork.java:65) de.bruker.nmr.an.sq1h.assign.AssignmentSeekerSimulatedAnnealing.simulatedAnnealingAlgorithm(AssignmentSeekerSimulatedAnnealing.java:135) de.bruker.nmr.an.sq1h.assign.AssignmentSeekerSimulatedAnnealing.seekAssignments(AssignmentSeekerSimulatedAnnealing.java:92) de.bruker.nmr.an.sq1h.assign.AssignatorStructure.generateAssignmentSolutionsForPns(AssignatorStructure.java:355) de.bruker.nmr.an.sq1h.assign.AssignatorStructure.generateAssignmentSolutionsForPns(AssignatorStructure.java:281) de.bruker.nmr.an.sq1h.assign.AssignatorStructure.generateAssignmentSolutionsByIterationThroughPnsList(AssignatorStructure.java:234) de.bruker.nmr.an.sq1h.assign.AssignatorStructure.generateAssignments(AssignatorStructure.java:103) de.bruker.nmr.an.sq1h.assign.AssignmentSuite.executeState(AssignmentSuite.java:90) de.bruker.nmr.an.sq1h.machine.StateBase.execute(StateBase.java:72) de.bruker.nmr.an.sq1h.machine.StateMachineBase.execute(StateMachineBase.java:196) de.bruker.nmr.an.sq1h.machine.StateMachineBase.start(StateMachineBase.java:88) de.bruker.nmr.an.sq1h.Spectrum_Quantification_1H.analysisRoutine(Spectrum_Quantification_1H.java:403) de.bruker.nmr.an.sq1h.Spectrum_Quantification_1H.launchAnalysis(Spectrum_Quantification_1H.java:317) de.bruker.nmr.an.sq1h.Spectrum_Quantification_1H.commandInterpreter(Spectrum_Quantification_1H.java:169) sun.reflect.NativeMethodAccessorImpl.invoke0(Native Method) sun.reflect.NativeMethodAccessorImpl.invoke(NativeMethodAccessorImpl.java:62) sun.reflect.DelegatingMethodAccessorImpl.invoke(DelegatingMethodAccessorImpl.java:43) java.lang.reflect.Method.invoke(Method.java:498) de.bruker.nmr.mfw.base.CmdThreadImpl.executeMethod(CmdThreadImpl.java:652) de.bruker.nmr.mfw.base.CmdThreadImpl.doJmethod(CmdThreadImpl.java:561) de.bruker.nmr.mfw.base.CmdThreadImpl.exec(CmdThreadImpl.java:518) de.bruker.nmr.mfw.base.CmdThreadImpl.run(CmdThreadImpl.java:494) Wed May 08 16:01:30.531 CEST 2019: Number of ASL: 0 Wed May 08 16:01:30.531 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 5.32 s. Wed May 08 16:01:31.896 CEST 2019: Elapsed time for evaluation (BU Suite): 1.34 s. Wed May 08 16:01:31.912 CEST 2019: CMC-assist project state: AutoInconsistent Wed May 08 16:01:31.912 CEST 2019: INCONSISTENT: No or only invalid AssignmentSolutions. Wed May 08 16:01:32.572 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.67 s. Wed May 08 16:01:32.572 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s. Wed May 08 16:01:32.587 CEST 2019: CMC-q finished in 9.66 s.