Mon Jul 04 19:38:17.613 CEST 2022: Starting CMC-q package (b:17) with command cmcq assistant analysis
Mon Jul 04 19:38:17.616 CEST 2022: Analysing data set: E:\TopSpin4.0.8\data\EU_Openscreen\CMCq\CMCq\nmr\Consistent\D6_EUOS_Plate08_D6\1\pdata\1
Mon Jul 04 19:38:17.624 CEST 2022: Solvent of PROTON is unknown - set to: POLYSOLV
Mon Jul 04 19:38:17.629 CEST 2022: TD: 32768 SI: 65536 SW: 13.663
Mon Jul 04 19:38:17.632 CEST 2022: PT/PPM: 4796.3850 PT/Hz: 7.9953
Mon Jul 04 19:38:17.661 CEST 2022: No HSQC data available
Mon Jul 04 19:38:17.672 CEST 2022: No C13 data available
Mon Jul 04 19:38:17.685 CEST 2022: No HMBC data available
Mon Jul 04 19:38:17.693 CEST 2022: Elapsed time for evaluation (XD Suite): 0.01 s.
Mon Jul 04 19:38:17.713 CEST 2022: Elapsed time for evaluation (SPD Suite): 0.02 s.
Mon Jul 04 19:38:17.805 CEST 2022: Structure is used: true
Mon Jul 04 19:38:17.808 CEST 2022: MOL-File E:/TopSpin4.0.8/data/EU_Openscreen/CMCq/CMCq/nmr/Consistent/D6_EUOS_Plate08_D6/1/D6_EUOS_Plate08_D6-26d8df9e-5495-4e7f-8357-cf2ebc907718.mol
Mon Jul 04 19:38:17.811 CEST 2022: Elapsed time for evaluation (STD Suite - BCH): 0.10 s.
Mon Jul 04 19:38:17.817 CEST 2022: Initial check warning: SR is not equal to zero; this might not be intended!
Mon Jul 04 19:38:17.820 CEST 2022: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon Jul 04 19:38:17.823 CEST 2022: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon Jul 04 19:38:17.826 CEST 2022: Spectrum is not 13C decoupled.
Mon Jul 04 19:38:17.828 CEST 2022: Spectrum does not contain ERETIC signal.
Mon Jul 04 19:38:17.830 CEST 2022: Spectrum is suppressed.
Mon Jul 04 19:38:17.833 CEST 2022: Elapsed time for evaluation (SPT Suite): 0.01 s.
Mon Jul 04 19:38:17.838 CEST 2022: Suppression frequencies at: 4.769 
Mon Jul 04 19:38:17.840 CEST 2022: Elapsed time for evaluation (SFF Suite): 0.00 s.
Mon Jul 04 19:38:17.843 CEST 2022: Expected impurity: TMS
Mon Jul 04 19:38:17.846 CEST 2022: Expected impurity: DMSO_D5
Mon Jul 04 19:38:17.849 CEST 2022: Expected impurity: CustomImpurity [isActive=true, identifier=DMSO, protonShiftLimitAPpm=2.7, protonShiftLimitBPpm=2.66, protonMultiplicity=other, protonCouplingHz=[], protonNumber=0, carbonShiftLimitAPpm=-100.0, carbonShiftLimitBPpm=-100.0, carbonNumber=0]
Mon Jul 04 19:38:17.851 CEST 2022: Expected impurity: CustomImpurity [isActive=true, identifier=DSS, protonShiftLimitAPpm=-0.01, protonShiftLimitBPpm=0.01, protonMultiplicity=other, protonCouplingHz=[], protonNumber=0, carbonShiftLimitAPpm=-100.0, carbonShiftLimitBPpm=-100.0, carbonNumber=0]
Mon Jul 04 19:38:17.854 CEST 2022: Elapsed time for evaluation (IMR Suite): 0.01 s.
Mon Jul 04 19:38:17.856 CEST 2022: RMSD noise: 18771042.602 (10.215/9.715)
Mon Jul 04 19:38:17.859 CEST 2022: Elapsed time for evaluation (ND Suite): 0.00 s.
Mon Jul 04 19:38:17.862 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon Jul 04 19:38:17.866 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon Jul 04 19:38:17.891 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.02 s.
Mon Jul 04 19:38:18.139 CEST 2022: Number of Peaks: (255, 24)
Mon Jul 04 19:38:18.147 CEST 2022: Elapsed time for evaluation (PP Suite): 0.25 s.
Mon Jul 04 19:38:18.171 CEST 2022: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon Jul 04 19:38:18.199 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.03 s.
Mon Jul 04 19:38:18.201 CEST 2022: Signal-to-Noise ratio: 17038.56 (3.751 ppm)
Mon Jul 04 19:38:18.205 CEST 2022: Elapsed time for evaluation (SND Suite): 0.00 s.
Mon Jul 04 19:38:18.207 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 19:38:18.210 CEST 2022: Elapsed time for evaluation (PRE Suite): 0.40 s.
Mon Jul 04 19:38:18.351 CEST 2022: Number of Multiplets: 434
Mon Jul 04 19:38:18.354 CEST 2022: Elapsed time for evaluation (MMG Suite): 0.14 s.
Mon Jul 04 19:38:18.514 CEST 2022: Number of Peak Cluster: 52
Mon Jul 04 19:38:18.523 CEST 2022: Elapsed time for evaluation (PCG Suite): 0.17 s.
Mon Jul 04 19:38:18.545 CEST 2022: Elapsed time for evaluation (IMSO Suite): 0.02 s.
Mon Jul 04 19:38:18.843 CEST 2022: Elapsed time for evaluation (SMOOTH Suite): 0.29 s.
Mon Jul 04 19:38:18.853 CEST 2022: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.01 s.
Mon Jul 04 19:38:18.860 CEST 2022: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon Jul 04 19:38:18.865 CEST 2022: Number of consistent PNS: 0
Mon Jul 04 19:38:18.867 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.00 s.
Mon Jul 04 19:38:18.873 CEST 2022: Number of consistent PNS: 15
Mon Jul 04 19:38:18.875 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.01 s.
Mon Jul 04 19:38:18.879 CEST 2022: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon Jul 04 19:38:18.881 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 19:38:21.552 CEST 2022: Elapsed time for evaluation (BU Suite): 2.68 s.
Mon Jul 04 19:38:21.613 CEST 2022: CMC-assist project state: AutoInconsistent
Mon Jul 04 19:38:21.624 CEST 2022: INCONSISTENT: No or only invalid ProtonNumberSolutions.
Mon Jul 04 19:38:21.986 CEST 2022: Elapsed time for evaluation (FIN Suite): 0.43 s.
Mon Jul 04 19:38:21.990 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 19:38:21.991 CEST 2022: CMC-q finished in 4.38 s.
