Tue Jul 05 12:07:45.394 CEST 2022: Starting CMC-q package (b:17) with command cmcq assistant analysis
Tue Jul 05 12:07:45.397 CEST 2022: Analysing data set: E:\TopSpin4.0.8\data\EU_Openscreen\CMCq\CMCq\nmr\Consistent\D2_EUOS_Plate07_D2\1\pdata\1
Tue Jul 05 12:07:45.404 CEST 2022: Solvent of PROTON is unknown - set to: POLYSOLV
Tue Jul 05 12:07:45.408 CEST 2022: TD: 32768 SI: 65536 SW: 13.663
Tue Jul 05 12:07:45.411 CEST 2022: PT/PPM: 4796.3850 PT/Hz: 7.9953
Tue Jul 05 12:07:45.460 CEST 2022: No HSQC data available
Tue Jul 05 12:07:45.477 CEST 2022: No C13 data available
Tue Jul 05 12:07:45.495 CEST 2022: No HMBC data available
Tue Jul 05 12:07:45.523 CEST 2022: Elapsed time for evaluation (XD Suite): 0.01 s.
Tue Jul 05 12:07:45.546 CEST 2022: Elapsed time for evaluation (SPD Suite): 0.02 s.
Tue Jul 05 12:07:45.642 CEST 2022: Structure is used: true
Tue Jul 05 12:07:45.645 CEST 2022: MOL-File E:/TopSpin4.0.8/data/EU_Openscreen/CMCq/CMCq/nmr/Consistent/D2_EUOS_Plate07_D2/1/D2_EUOS_Plate07_D2-52ae5ffe-a617-4808-bbb4-ecfefaee8846.mol
Tue Jul 05 12:07:45.648 CEST 2022: Elapsed time for evaluation (STD Suite - BCH): 0.10 s.
Tue Jul 05 12:07:45.659 CEST 2022: Initial check warning: SR is not equal to zero; this might not be intended!
Tue Jul 05 12:07:45.662 CEST 2022: Elapsed time for evaluation (ICH Suite): 0.01 s.
Tue Jul 05 12:07:45.664 CEST 2022: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Tue Jul 05 12:07:45.666 CEST 2022: Spectrum is not 13C decoupled.
Tue Jul 05 12:07:45.669 CEST 2022: Spectrum does not contain ERETIC signal.
Tue Jul 05 12:07:45.671 CEST 2022: Spectrum is suppressed.
Tue Jul 05 12:07:45.674 CEST 2022: Elapsed time for evaluation (SPT Suite): 0.01 s.
Tue Jul 05 12:07:45.678 CEST 2022: Suppression frequencies at: 4.661 
Tue Jul 05 12:07:45.681 CEST 2022: Elapsed time for evaluation (SFF Suite): 0.00 s.
Tue Jul 05 12:07:45.684 CEST 2022: Expected impurity: TMS
Tue Jul 05 12:07:45.687 CEST 2022: Expected impurity: DMSO_D5
Tue Jul 05 12:07:45.689 CEST 2022: Expected impurity: CustomImpurity [isActive=true, identifier=DMSO, protonShiftLimitAPpm=2.6, protonShiftLimitBPpm=2.54, protonMultiplicity=other, protonCouplingHz=[], protonNumber=0, carbonShiftLimitAPpm=-100.0, carbonShiftLimitBPpm=-100.0, carbonNumber=0]
Tue Jul 05 12:07:45.692 CEST 2022: Expected impurity: CustomImpurity [isActive=true, identifier=DSS, protonShiftLimitAPpm=-0.5, protonShiftLimitBPpm=0.1, protonMultiplicity=other, protonCouplingHz=[], protonNumber=0, carbonShiftLimitAPpm=-100.0, carbonShiftLimitBPpm=-100.0, carbonNumber=0]
Tue Jul 05 12:07:45.694 CEST 2022: Elapsed time for evaluation (IMR Suite): 0.01 s.
Tue Jul 05 12:07:45.697 CEST 2022: RMSD noise: 17572234.062 (11.493/10.993)
Tue Jul 05 12:07:45.699 CEST 2022: Elapsed time for evaluation (ND Suite): 0.00 s.
Tue Jul 05 12:07:45.702 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Tue Jul 05 12:07:45.707 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.00 s.
Tue Jul 05 12:07:45.731 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.02 s.
Tue Jul 05 12:07:45.804 CEST 2022: Number of Peaks: (58, 19)
Tue Jul 05 12:07:45.807 CEST 2022: Elapsed time for evaluation (PP Suite): 0.07 s.
Tue Jul 05 12:07:45.810 CEST 2022: Elapsed time for evaluation (EPF Suite): 0.00 s.
Tue Jul 05 12:07:45.844 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.03 s.
Tue Jul 05 12:07:45.847 CEST 2022: Signal-to-Noise ratio: 104.23 (6.885 ppm)
Tue Jul 05 12:07:45.850 CEST 2022: Elapsed time for evaluation (SND Suite): 0.00 s.
Tue Jul 05 12:07:45.852 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Tue Jul 05 12:07:45.855 CEST 2022: Elapsed time for evaluation (PRE Suite): 0.20 s.
Tue Jul 05 12:07:45.873 CEST 2022: Number of Multiplets: 127
Tue Jul 05 12:07:45.875 CEST 2022: Elapsed time for evaluation (MMG Suite): 0.02 s.
Tue Jul 05 12:07:45.915 CEST 2022: Number of Peak Cluster: 20
Tue Jul 05 12:07:45.921 CEST 2022: Elapsed time for evaluation (PCG Suite): 0.04 s.
Tue Jul 05 12:07:45.966 CEST 2022: Elapsed time for evaluation (IMSO Suite): 0.04 s.
Tue Jul 05 12:07:46.095 CEST 2022: Elapsed time for evaluation (SMOOTH Suite): 0.13 s.
Tue Jul 05 12:07:46.099 CEST 2022: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Tue Jul 05 12:07:46.104 CEST 2022: Elapsed time for evaluation (PE Suite): 0.00 s.
Tue Jul 05 12:07:46.107 CEST 2022: Number of consistent PNS: 0
Tue Jul 05 12:07:46.109 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.00 s.
Tue Jul 05 12:07:46.117 CEST 2022: Number of consistent PNS: 45
Tue Jul 05 12:07:46.119 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.01 s.
Tue Jul 05 12:07:46.129 CEST 2022: Elapsed time for evaluation (PS Suite - MP): 0.01 s.
Tue Jul 05 12:07:46.131 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Tue Jul 05 12:07:46.573 CEST 2022: Elapsed time for evaluation (BU Suite): 0.46 s.
Tue Jul 05 12:07:46.623 CEST 2022: CMC-assist project state: AutoInconsistent
Tue Jul 05 12:07:46.625 CEST 2022: INCONSISTENT: No or only invalid ProtonNumberSolutions.
Tue Jul 05 12:07:47.028 CEST 2022: Elapsed time for evaluation (FIN Suite): 0.45 s.
Tue Jul 05 12:07:47.052 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Tue Jul 05 12:07:47.055 CEST 2022: CMC-q finished in 1.66 s.
