Mon Jul 04 16:48:51.877 CEST 2022: Starting CMC-q package (b:17) with command cmcq assistant analysis
Mon Jul 04 16:48:51.880 CEST 2022: Analysing data set: E:\TopSpin4.0.8\data\EU_Openscreen\CMCq\CMCq\nmr\Consistent\E9_OS_Plate05_E9\1\pdata\1
Mon Jul 04 16:48:51.887 CEST 2022: Solvent of PROTON is unknown - set to: POLYSOLV
Mon Jul 04 16:48:51.891 CEST 2022: TD: 32768 SI: 65536 SW: 16.028
Mon Jul 04 16:48:51.893 CEST 2022: PT/PPM: 4088.7212 PT/Hz: 6.8157
Mon Jul 04 16:48:52.173 CEST 2022: No HSQC data available
Mon Jul 04 16:48:52.187 CEST 2022: No C13 data available
Mon Jul 04 16:48:52.200 CEST 2022: No HMBC data available
Mon Jul 04 16:48:52.242 CEST 2022: Elapsed time for evaluation (XD Suite): 0.04 s.
Mon Jul 04 16:48:52.731 CEST 2022: Elapsed time for evaluation (SPD Suite): 0.49 s.
Mon Jul 04 16:48:52.860 CEST 2022: Structure is used: true
Mon Jul 04 16:48:52.863 CEST 2022: MOL-File E:/TopSpin4.0.8/data/EU_Openscreen/CMCq/CMCq/nmr/Consistent/E9_OS_Plate05_E9/1/9_OS_Plate05_E9.mol
Mon Jul 04 16:48:52.866 CEST 2022: Elapsed time for evaluation (STD Suite - BCH): 0.12 s.
Mon Jul 04 16:48:52.877 CEST 2022: Initial check warning: SR is not equal to zero; this might not be intended!
Mon Jul 04 16:48:52.880 CEST 2022: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon Jul 04 16:48:52.883 CEST 2022: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon Jul 04 16:48:52.885 CEST 2022: Spectrum is not 13C decoupled.
Mon Jul 04 16:48:52.887 CEST 2022: Spectrum does not contain ERETIC signal.
Mon Jul 04 16:48:52.889 CEST 2022: Spectrum is suppressed.
Mon Jul 04 16:48:52.892 CEST 2022: Elapsed time for evaluation (SPT Suite): 0.01 s.
Mon Jul 04 16:48:52.896 CEST 2022: Suppression frequencies at: 4.654 
Mon Jul 04 16:48:52.899 CEST 2022: Elapsed time for evaluation (SFF Suite): 0.00 s.
Mon Jul 04 16:48:52.902 CEST 2022: Expected impurity: TMS
Mon Jul 04 16:48:52.904 CEST 2022: Expected impurity: DMSO_D5
Mon Jul 04 16:48:52.906 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]
Mon Jul 04 16:48:52.909 CEST 2022: Elapsed time for evaluation (IMR Suite): 0.01 s.
Mon Jul 04 16:48:52.911 CEST 2022: RMSD noise: 30745518.594 (11.034/10.534)
Mon Jul 04 16:48:52.913 CEST 2022: Elapsed time for evaluation (ND Suite): 0.00 s.
Mon Jul 04 16:48:52.916 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon Jul 04 16:48:52.920 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon Jul 04 16:48:52.943 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.02 s.
Mon Jul 04 16:48:53.035 CEST 2022: Number of Peaks: (80, 15)
Mon Jul 04 16:48:53.038 CEST 2022: Elapsed time for evaluation (PP Suite): 0.09 s.
Mon Jul 04 16:48:53.041 CEST 2022: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon Jul 04 16:48:53.065 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.02 s.
Mon Jul 04 16:48:53.068 CEST 2022: Signal-to-Noise ratio: 6616.72 (2.788 ppm)
Mon Jul 04 16:48:53.071 CEST 2022: Elapsed time for evaluation (SND Suite): 0.00 s.
Mon Jul 04 16:48:53.072 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:48:53.075 CEST 2022: Elapsed time for evaluation (PRE Suite): 0.21 s.
Mon Jul 04 16:48:53.093 CEST 2022: Number of Multiplets: 118
Mon Jul 04 16:48:53.095 CEST 2022: Elapsed time for evaluation (MMG Suite): 0.02 s.
Mon Jul 04 16:48:53.146 CEST 2022: Number of Peak Cluster: 29
Mon Jul 04 16:48:53.152 CEST 2022: Elapsed time for evaluation (PCG Suite): 0.05 s.
Mon Jul 04 16:48:53.168 CEST 2022: Elapsed time for evaluation (IMSO Suite): 0.01 s.
Mon Jul 04 16:48:53.314 CEST 2022: Elapsed time for evaluation (SMOOTH Suite): 0.14 s.
Mon Jul 04 16:48:53.333 CEST 2022: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.01 s.
Mon Jul 04 16:48:53.338 CEST 2022: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon Jul 04 16:48:53.342 CEST 2022: Number of consistent PNS: 4
Mon Jul 04 16:48:53.344 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.00 s.
Mon Jul 04 16:48:53.347 CEST 2022: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon Jul 04 16:48:53.422 CEST 2022: Elapsed time for evaluation (ASSIGN Suite): 0.07 s.
Mon Jul 04 16:48:53.852 CEST 2022: Elapsed time for evaluation (IN Suite): 0.43 s.
Mon Jul 04 16:48:53.902 CEST 2022: CMC-assist project state: AutoConsistent
Mon Jul 04 16:48:53.905 CEST 2022: Impurity 13C satellite filter active!
Mon Jul 04 16:48:54.254 CEST 2022: Elapsed time for evaluation (FIN Suite): 0.40 s.
Mon Jul 04 16:48:54.263 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:48:54.266 CEST 2022: CMC-q finished in 2.39 s.
