Mon Jul 04 19:39:44.762 CEST 2022: Starting CMC-q package (b:17) with command cmcq assistant analysis
Mon Jul 04 19:39:44.765 CEST 2022: Analysing data set: E:\TopSpin4.0.8\data\EU_Openscreen\CMCq\CMCq\nmr\Consistent\B9_EUOS_Plate08_B9\1\pdata\1
Mon Jul 04 19:39:44.771 CEST 2022: Solvent of PROTON is unknown - set to: POLYSOLV
Mon Jul 04 19:39:44.775 CEST 2022: TD: 32768 SI: 65536 SW: 13.663
Mon Jul 04 19:39:44.778 CEST 2022: PT/PPM: 4796.3850 PT/Hz: 7.9953
Mon Jul 04 19:39:44.821 CEST 2022: No HSQC data available
Mon Jul 04 19:39:44.832 CEST 2022: No C13 data available
Mon Jul 04 19:39:44.842 CEST 2022: No HMBC data available
Mon Jul 04 19:39:44.851 CEST 2022: Elapsed time for evaluation (XD Suite): 0.01 s.
Mon Jul 04 19:39:44.871 CEST 2022: Elapsed time for evaluation (SPD Suite): 0.02 s.
Mon Jul 04 19:39:44.954 CEST 2022: Structure is used: true
Mon Jul 04 19:39:44.974 CEST 2022: MOL-File E:/TopSpin4.0.8/data/EU_Openscreen/CMCq/CMCq/nmr/Consistent/B9_EUOS_Plate08_B9/1/B9_EUOS_Plate08_B9-265be2cf-1eb7-46d1-b6ca-f3c591266463.mol
Mon Jul 04 19:39:44.977 CEST 2022: Elapsed time for evaluation (STD Suite - BCH): 0.10 s.
Mon Jul 04 19:39:44.984 CEST 2022: Initial check warning: SR is not equal to zero; this might not be intended!
Mon Jul 04 19:39:44.986 CEST 2022: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon Jul 04 19:39:44.989 CEST 2022: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon Jul 04 19:39:44.992 CEST 2022: Spectrum is not 13C decoupled.
Mon Jul 04 19:39:44.994 CEST 2022: Spectrum does not contain ERETIC signal.
Mon Jul 04 19:39:44.997 CEST 2022: Spectrum is suppressed.
Mon Jul 04 19:39:44.999 CEST 2022: Elapsed time for evaluation (SPT Suite): 0.01 s.
Mon Jul 04 19:39:45.004 CEST 2022: Suppression frequencies at: 4.770 
Mon Jul 04 19:39:45.006 CEST 2022: Elapsed time for evaluation (SFF Suite): 0.00 s.
Mon Jul 04 19:39:45.009 CEST 2022: Expected impurity: TMS
Mon Jul 04 19:39:45.012 CEST 2022: Expected impurity: DMSO_D5
Mon Jul 04 19:39:45.014 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 19:39:45.017 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 19:39:45.019 CEST 2022: Elapsed time for evaluation (IMR Suite): 0.01 s.
Mon Jul 04 19:39:45.022 CEST 2022: RMSD noise: 19396130.619 (6.752/6.252)
Mon Jul 04 19:39:45.024 CEST 2022: Elapsed time for evaluation (ND Suite): 0.00 s.
Mon Jul 04 19:39:45.027 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon Jul 04 19:39:45.031 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon Jul 04 19:39:45.057 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.02 s.
Mon Jul 04 19:39:45.162 CEST 2022: Number of Peaks: (96, 4)
Mon Jul 04 19:39:45.165 CEST 2022: Elapsed time for evaluation (PP Suite): 0.11 s.
Mon Jul 04 19:39:45.168 CEST 2022: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon Jul 04 19:39:45.180 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.01 s.
Mon Jul 04 19:39:45.183 CEST 2022: Signal-to-Noise ratio: 7267.74 (9.067 ppm)
Mon Jul 04 19:39:45.186 CEST 2022: Elapsed time for evaluation (SND Suite): 0.00 s.
Mon Jul 04 19:39:45.189 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 19:39:45.192 CEST 2022: Elapsed time for evaluation (PRE Suite): 0.21 s.
Mon Jul 04 19:39:45.215 CEST 2022: Number of Multiplets: 129
Mon Jul 04 19:39:45.218 CEST 2022: Elapsed time for evaluation (MMG Suite): 0.02 s.
Mon Jul 04 19:39:45.287 CEST 2022: Number of Peak Cluster: 37
Mon Jul 04 19:39:45.294 CEST 2022: Elapsed time for evaluation (PCG Suite): 0.07 s.
Mon Jul 04 19:39:45.313 CEST 2022: Elapsed time for evaluation (IMSO Suite): 0.02 s.
Mon Jul 04 19:39:45.477 CEST 2022: Elapsed time for evaluation (SMOOTH Suite): 0.16 s.
Mon Jul 04 19:39:45.487 CEST 2022: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.01 s.
Mon Jul 04 19:39:45.493 CEST 2022: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon Jul 04 19:39:45.497 CEST 2022: Number of consistent PNS: 3
Mon Jul 04 19:39:45.500 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.00 s.
Mon Jul 04 19:39:45.503 CEST 2022: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon Jul 04 19:39:45.508 CEST 2022: Elapsed time for evaluation (ASSIGN Suite): 0.00 s.
Mon Jul 04 19:39:45.515 CEST 2022: Elapsed time for evaluation (IN Suite): 0.00 s.
Mon Jul 04 19:39:45.569 CEST 2022: CMC-assist project state: AutoConsistent
Mon Jul 04 19:39:45.572 CEST 2022: Impurity 13C satellite filter active!
Mon Jul 04 19:39:45.955 CEST 2022: Elapsed time for evaluation (FIN Suite): 0.44 s.
Mon Jul 04 19:39:45.958 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 19:39:45.960 CEST 2022: CMC-q finished in 1.20 s.
