Mon Jul 04 19:39:46.275 CEST 2022: Starting CMC-q package (b:17) with command cmcq assistant analysis
Mon Jul 04 19:39:46.278 CEST 2022: Analysing data set: E:\TopSpin4.0.8\data\EU_Openscreen\CMCq\CMCq\nmr\Consistent\C9_EUOS_Plate08_C9\1\pdata\1
Mon Jul 04 19:39:46.285 CEST 2022: Solvent of PROTON is unknown - set to: POLYSOLV
Mon Jul 04 19:39:46.289 CEST 2022: TD: 32768 SI: 65536 SW: 13.663
Mon Jul 04 19:39:46.292 CEST 2022: PT/PPM: 4796.3850 PT/Hz: 7.9953
Mon Jul 04 19:39:46.564 CEST 2022: No HSQC data available
Mon Jul 04 19:39:46.576 CEST 2022: No C13 data available
Mon Jul 04 19:39:46.590 CEST 2022: No HMBC data available
Mon Jul 04 19:39:46.598 CEST 2022: Elapsed time for evaluation (XD Suite): 0.01 s.
Mon Jul 04 19:39:46.623 CEST 2022: Elapsed time for evaluation (SPD Suite): 0.02 s.
Mon Jul 04 19:39:46.763 CEST 2022: Structure is used: true
Mon Jul 04 19:39:46.766 CEST 2022: MOL-File E:/TopSpin4.0.8/data/EU_Openscreen/CMCq/CMCq/nmr/Consistent/C9_EUOS_Plate08_C9/1/C9_EUOS_Plate08_C9-38ce61c2-c7cc-4a66-a559-17e1f9308f88.mol
Mon Jul 04 19:39:46.768 CEST 2022: Elapsed time for evaluation (STD Suite - BCH): 0.11 s.
Mon Jul 04 19:39:46.776 CEST 2022: Initial check warning: SR is not equal to zero; this might not be intended!
Mon Jul 04 19:39:46.779 CEST 2022: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon Jul 04 19:39:46.782 CEST 2022: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon Jul 04 19:39:46.784 CEST 2022: Spectrum is not 13C decoupled.
Mon Jul 04 19:39:46.787 CEST 2022: Spectrum does not contain ERETIC signal.
Mon Jul 04 19:39:46.789 CEST 2022: Spectrum is suppressed.
Mon Jul 04 19:39:46.792 CEST 2022: Elapsed time for evaluation (SPT Suite): 0.01 s.
Mon Jul 04 19:39:46.797 CEST 2022: Suppression frequencies at: 4.527 
Mon Jul 04 19:39:46.799 CEST 2022: Elapsed time for evaluation (SFF Suite): 0.00 s.
Mon Jul 04 19:39:46.803 CEST 2022: Expected impurity: TMS
Mon Jul 04 19:39:46.805 CEST 2022: Expected impurity: DMSO_D5
Mon Jul 04 19:39:46.808 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 19:39:46.810 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 19:39:46.812 CEST 2022: Elapsed time for evaluation (IMR Suite): 0.01 s.
Mon Jul 04 19:39:46.815 CEST 2022: RMSD noise: 19187368.592 (10.666/10.166)
Mon Jul 04 19:39:46.818 CEST 2022: Elapsed time for evaluation (ND Suite): 0.00 s.
Mon Jul 04 19:39:46.821 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon Jul 04 19:39:46.825 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon Jul 04 19:39:46.849 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.02 s.
Mon Jul 04 19:39:47.069 CEST 2022: Number of Peaks: (214, 22)
Mon Jul 04 19:39:47.072 CEST 2022: Elapsed time for evaluation (PP Suite): 0.22 s.
Mon Jul 04 19:39:47.075 CEST 2022: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon Jul 04 19:39:47.084 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.01 s.
Mon Jul 04 19:39:47.087 CEST 2022: Signal-to-Noise ratio: 46697.29 (0.851 ppm)
Mon Jul 04 19:39:47.090 CEST 2022: Elapsed time for evaluation (SND Suite): 0.00 s.
Mon Jul 04 19:39:47.093 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 19:39:47.096 CEST 2022: Elapsed time for evaluation (PRE Suite): 0.32 s.
Mon Jul 04 19:39:47.279 CEST 2022: Number of Multiplets: 392
Mon Jul 04 19:39:47.294 CEST 2022: Elapsed time for evaluation (MMG Suite): 0.20 s.
Mon Jul 04 19:39:47.412 CEST 2022: Number of Peak Cluster: 35
Mon Jul 04 19:39:47.418 CEST 2022: Elapsed time for evaluation (PCG Suite): 0.12 s.
Mon Jul 04 19:39:47.450 CEST 2022: Elapsed time for evaluation (IMSO Suite): 0.03 s.
Mon Jul 04 19:39:47.793 CEST 2022: Elapsed time for evaluation (SMOOTH Suite): 0.34 s.
Mon Jul 04 19:39:47.807 CEST 2022: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.01 s.
Mon Jul 04 19:39:47.813 CEST 2022: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon Jul 04 19:39:47.819 CEST 2022: Number of consistent PNS: 4
Mon Jul 04 19:39:47.822 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.01 s.
Mon Jul 04 19:39:47.825 CEST 2022: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon Jul 04 19:39:50.832 CEST 2022: Elapsed time for evaluation (ASSIGN Suite): 3.00 s.
Mon Jul 04 19:39:51.422 CEST 2022: Elapsed time for evaluation (IN Suite): 0.58 s.
Mon Jul 04 19:39:51.810 CEST 2022: CMC-assist project state: AutoConsistent
Mon Jul 04 19:39:51.813 CEST 2022: Impurity 13C satellite filter active!
Mon Jul 04 19:39:51.816 CEST 2022: Impurity 13C satellite filter active!
Mon Jul 04 19:39:51.818 CEST 2022: Impurity 13C satellite filter active!
Mon Jul 04 19:39:52.190 CEST 2022: Elapsed time for evaluation (FIN Suite): 0.76 s.
Mon Jul 04 19:39:52.193 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 19:39:52.196 CEST 2022: CMC-q finished in 5.92 s.
