Tue Jul 05 12:10:21.069 CEST 2022: Starting CMC-q package (b:17) with command cmcq assistant analysis
Tue Jul 05 12:10:21.072 CEST 2022: Analysing data set: E:\TopSpin4.0.8\data\EU_Openscreen\CMCq\CMCq\nmr\Consistent\B8_EUOS_Plate07_B8\1\pdata\1
Tue Jul 05 12:10:21.079 CEST 2022: Solvent of PROTON is unknown - set to: POLYSOLV
Tue Jul 05 12:10:21.083 CEST 2022: TD: 32768 SI: 65536 SW: 13.663
Tue Jul 05 12:10:21.086 CEST 2022: PT/PPM: 4796.3850 PT/Hz: 7.9953
Tue Jul 05 12:10:21.464 CEST 2022: No HSQC data available
Tue Jul 05 12:10:21.477 CEST 2022: No C13 data available
Tue Jul 05 12:10:21.491 CEST 2022: No HMBC data available
Tue Jul 05 12:10:21.497 CEST 2022: Elapsed time for evaluation (XD Suite): 0.00 s.
Tue Jul 05 12:10:21.518 CEST 2022: Elapsed time for evaluation (SPD Suite): 0.02 s.
Tue Jul 05 12:10:21.649 CEST 2022: Structure is used: true
Tue Jul 05 12:10:21.666 CEST 2022: MOL-File E:/TopSpin4.0.8/data/EU_Openscreen/CMCq/CMCq/nmr/Consistent/B8_EUOS_Plate07_B8/1/B8_EUOS_Plate07_B8-a6d1ecc4-9322-4f76-bbdd-585ee714e9aa.mol
Tue Jul 05 12:10:21.668 CEST 2022: Elapsed time for evaluation (STD Suite - BCH): 0.15 s.
Tue Jul 05 12:10:21.680 CEST 2022: Initial check warning: SR is not equal to zero; this might not be intended!
Tue Jul 05 12:10:21.682 CEST 2022: Elapsed time for evaluation (ICH Suite): 0.01 s.
Tue Jul 05 12:10:21.685 CEST 2022: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Tue Jul 05 12:10:21.687 CEST 2022: Spectrum is not 13C decoupled.
Tue Jul 05 12:10:21.689 CEST 2022: Spectrum does not contain ERETIC signal.
Tue Jul 05 12:10:21.692 CEST 2022: Spectrum is suppressed.
Tue Jul 05 12:10:21.695 CEST 2022: Elapsed time for evaluation (SPT Suite): 0.01 s.
Tue Jul 05 12:10:21.700 CEST 2022: Suppression frequencies at: 4.661 
Tue Jul 05 12:10:21.702 CEST 2022: Elapsed time for evaluation (SFF Suite): 0.00 s.
Tue Jul 05 12:10:21.706 CEST 2022: Expected impurity: TMS
Tue Jul 05 12:10:21.708 CEST 2022: Expected impurity: DMSO_D5
Tue Jul 05 12:10:21.710 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 12:10:21.713 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 12:10:21.715 CEST 2022: Elapsed time for evaluation (IMR Suite): 0.01 s.
Tue Jul 05 12:10:21.717 CEST 2022: RMSD noise: 17339027.224 (-1.670/-2.170)
Tue Jul 05 12:10:21.720 CEST 2022: Elapsed time for evaluation (ND Suite): 0.00 s.
Tue Jul 05 12:10:21.723 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Tue Jul 05 12:10:21.727 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.00 s.
Tue Jul 05 12:10:21.751 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.02 s.
Tue Jul 05 12:10:21.878 CEST 2022: Number of Peaks: (129, 14)
Tue Jul 05 12:10:21.880 CEST 2022: Elapsed time for evaluation (PP Suite): 0.13 s.
Tue Jul 05 12:10:21.883 CEST 2022: Elapsed time for evaluation (EPF Suite): 0.00 s.
Tue Jul 05 12:10:21.918 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.03 s.
Tue Jul 05 12:10:21.920 CEST 2022: Signal-to-Noise ratio: 2857.10 (1.301 ppm)
Tue Jul 05 12:10:21.923 CEST 2022: Elapsed time for evaluation (SND Suite): 0.00 s.
Tue Jul 05 12:10:21.926 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Tue Jul 05 12:10:21.928 CEST 2022: Elapsed time for evaluation (PRE Suite): 0.26 s.
Tue Jul 05 12:10:21.982 CEST 2022: Number of Multiplets: 268
Tue Jul 05 12:10:21.985 CEST 2022: Elapsed time for evaluation (MMG Suite): 0.05 s.
Tue Jul 05 12:10:22.057 CEST 2022: Number of Peak Cluster: 31
Tue Jul 05 12:10:22.064 CEST 2022: Elapsed time for evaluation (PCG Suite): 0.08 s.
Tue Jul 05 12:10:22.094 CEST 2022: Elapsed time for evaluation (IMSO Suite): 0.03 s.
Tue Jul 05 12:10:22.274 CEST 2022: Elapsed time for evaluation (SMOOTH Suite): 0.18 s.
Tue Jul 05 12:10:22.307 CEST 2022: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.02 s.
Tue Jul 05 12:10:22.312 CEST 2022: Elapsed time for evaluation (PE Suite): 0.00 s.
Tue Jul 05 12:10:22.316 CEST 2022: Number of consistent PNS: 0
Tue Jul 05 12:10:22.319 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.00 s.
Tue Jul 05 12:10:22.326 CEST 2022: Number of consistent PNS: 30
Tue Jul 05 12:10:22.328 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.01 s.
Tue Jul 05 12:10:22.341 CEST 2022: Elapsed time for evaluation (PS Suite - MP): 0.01 s.
Tue Jul 05 12:10:22.344 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Tue Jul 05 12:10:23.631 CEST 2022: Elapsed time for evaluation (BU Suite): 1.31 s.
Tue Jul 05 12:10:23.685 CEST 2022: CMC-assist project state: AutoInconsistent
Tue Jul 05 12:10:23.688 CEST 2022: INCONSISTENT: No or only invalid ProtonNumberSolutions.
Tue Jul 05 12:10:24.087 CEST 2022: Elapsed time for evaluation (FIN Suite): 0.45 s.
Tue Jul 05 12:10:24.089 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Tue Jul 05 12:10:24.092 CEST 2022: CMC-q finished in 3.02 s.
