Mon Jul 04 19:35:39.696 CEST 2022: Starting CMC-q package (b:17) with command cmcq assistant analysis
Mon Jul 04 19:35:39.699 CEST 2022: Analysing data set: E:\TopSpin4.0.8\data\EU_Openscreen\CMCq\CMCq\nmr\Consistent\E2_EUOS_Plate08_E2\1\pdata\1
Mon Jul 04 19:35:39.707 CEST 2022: Solvent of PROTON is unknown - set to: POLYSOLV
Mon Jul 04 19:35:39.711 CEST 2022: TD: 32768 SI: 65536 SW: 13.663
Mon Jul 04 19:35:39.713 CEST 2022: PT/PPM: 4796.3850 PT/Hz: 7.9953
Mon Jul 04 19:35:39.726 CEST 2022: No HSQC data available
Mon Jul 04 19:35:39.738 CEST 2022: No C13 data available
Mon Jul 04 19:35:39.752 CEST 2022: No HMBC data available
Mon Jul 04 19:35:39.759 CEST 2022: Elapsed time for evaluation (XD Suite): 0.01 s.
Mon Jul 04 19:35:39.796 CEST 2022: Elapsed time for evaluation (SPD Suite): 0.03 s.
Mon Jul 04 19:35:39.895 CEST 2022: Structure is used: true
Mon Jul 04 19:35:39.899 CEST 2022: MOL-File E:/TopSpin4.0.8/data/EU_Openscreen/CMCq/CMCq/nmr/Consistent/E2_EUOS_Plate08_E2/1/E2_EUOS_Plate08_E2-317802ec-ce03-46f8-9691-feb789c47932.mol
Mon Jul 04 19:35:39.902 CEST 2022: Elapsed time for evaluation (STD Suite - BCH): 0.10 s.
Mon Jul 04 19:35:39.908 CEST 2022: Initial check warning: SR is not equal to zero; this might not be intended!
Mon Jul 04 19:35:39.911 CEST 2022: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon Jul 04 19:35:39.915 CEST 2022: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon Jul 04 19:35:39.917 CEST 2022: Spectrum is not 13C decoupled.
Mon Jul 04 19:35:39.920 CEST 2022: Spectrum does not contain ERETIC signal.
Mon Jul 04 19:35:39.923 CEST 2022: Spectrum is suppressed.
Mon Jul 04 19:35:39.926 CEST 2022: Elapsed time for evaluation (SPT Suite): 0.01 s.
Mon Jul 04 19:35:39.930 CEST 2022: Suppression frequencies at: 4.453 
Mon Jul 04 19:35:39.933 CEST 2022: Elapsed time for evaluation (SFF Suite): 0.00 s.
Mon Jul 04 19:35:39.936 CEST 2022: Expected impurity: TMS
Mon Jul 04 19:35:39.938 CEST 2022: Expected impurity: DMSO_D5
Mon Jul 04 19:35:39.941 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 19:35:39.943 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 19:35:39.946 CEST 2022: Elapsed time for evaluation (IMR Suite): 0.01 s.
Mon Jul 04 19:35:39.948 CEST 2022: RMSD noise: 17458292.648 (11.285/10.785)
Mon Jul 04 19:35:39.951 CEST 2022: Elapsed time for evaluation (ND Suite): 0.00 s.
Mon Jul 04 19:35:39.954 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon Jul 04 19:35:39.958 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon Jul 04 19:35:39.982 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.02 s.
Mon Jul 04 19:35:40.242 CEST 2022: Number of Peaks: (201, 39)
Mon Jul 04 19:35:40.269 CEST 2022: Elapsed time for evaluation (PP Suite): 0.28 s.
Mon Jul 04 19:35:40.271 CEST 2022: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon Jul 04 19:35:40.345 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.07 s.
Mon Jul 04 19:35:40.349 CEST 2022: Signal-to-Noise ratio: 12128.76 (0.716 ppm)
Mon Jul 04 19:35:40.353 CEST 2022: Elapsed time for evaluation (SND Suite): 0.00 s.
Mon Jul 04 19:35:40.355 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 19:35:40.358 CEST 2022: Elapsed time for evaluation (PRE Suite): 0.45 s.
Mon Jul 04 19:35:40.563 CEST 2022: Number of Multiplets: 425
Mon Jul 04 19:35:40.566 CEST 2022: Elapsed time for evaluation (MMG Suite): 0.21 s.
Mon Jul 04 19:35:40.709 CEST 2022: Number of Peak Cluster: 41
Mon Jul 04 19:35:40.716 CEST 2022: Elapsed time for evaluation (PCG Suite): 0.15 s.
Mon Jul 04 19:35:40.802 CEST 2022: Elapsed time for evaluation (IMSO Suite): 0.08 s.
Mon Jul 04 19:35:41.155 CEST 2022: Elapsed time for evaluation (SMOOTH Suite): 0.35 s.
Mon Jul 04 19:35:41.174 CEST 2022: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.01 s.
Mon Jul 04 19:35:41.183 CEST 2022: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon Jul 04 19:35:41.189 CEST 2022: Number of consistent PNS: 2
Mon Jul 04 19:35:41.193 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.01 s.
Mon Jul 04 19:35:41.197 CEST 2022: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon Jul 04 19:35:41.204 CEST 2022: Elapsed time for evaluation (ASSIGN Suite): 0.00 s.
Mon Jul 04 19:35:41.531 CEST 2022: Elapsed time for evaluation (IN Suite): 0.32 s.
Mon Jul 04 19:35:41.596 CEST 2022: CMC-assist project state: AutoConsistent
Mon Jul 04 19:35:41.600 CEST 2022: Impurity 13C satellite filter active!
Mon Jul 04 19:35:41.988 CEST 2022: Elapsed time for evaluation (FIN Suite): 0.45 s.
Mon Jul 04 19:35:41.991 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 19:35:41.993 CEST 2022: CMC-q finished in 2.30 s.
