Mon Jul 04 19:38:42.168 CEST 2022: Starting CMC-q package (b:17) with command cmcq assistant analysis
Mon Jul 04 19:38:42.171 CEST 2022: Analysing data set: E:\TopSpin4.0.8\data\EU_Openscreen\CMCq\CMCq\nmr\Consistent\H6_EUOS_Plate08_H6\1\pdata\1
Mon Jul 04 19:38:42.179 CEST 2022: Solvent of PROTON is unknown - set to: POLYSOLV
Mon Jul 04 19:38:42.183 CEST 2022: TD: 32768 SI: 65536 SW: 13.663
Mon Jul 04 19:38:42.186 CEST 2022: PT/PPM: 4796.3850 PT/Hz: 7.9953
Mon Jul 04 19:38:42.680 CEST 2022: No HSQC data available
Mon Jul 04 19:38:42.693 CEST 2022: No C13 data available
Mon Jul 04 19:38:42.705 CEST 2022: No HMBC data available
Mon Jul 04 19:38:42.714 CEST 2022: Elapsed time for evaluation (XD Suite): 0.01 s.
Mon Jul 04 19:38:44.633 CEST 2022: Elapsed time for evaluation (SPD Suite): 1.92 s.
Mon Jul 04 19:38:44.722 CEST 2022: Structure is used: true
Mon Jul 04 19:38:44.741 CEST 2022: MOL-File E:/TopSpin4.0.8/data/EU_Openscreen/CMCq/CMCq/nmr/Consistent/H6_EUOS_Plate08_H6/1/H6_EUOS_Plate08_H6-c8a1e47c-eb38-45bb-b124-7630f4237eb2.mol
Mon Jul 04 19:38:44.744 CEST 2022: Elapsed time for evaluation (STD Suite - BCH): 0.11 s.
Mon Jul 04 19:38:44.755 CEST 2022: Initial check warning: SR is not equal to zero; this might not be intended!
Mon Jul 04 19:38:44.758 CEST 2022: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon Jul 04 19:38:44.761 CEST 2022: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon Jul 04 19:38:44.764 CEST 2022: Spectrum is not 13C decoupled.
Mon Jul 04 19:38:44.767 CEST 2022: Spectrum does not contain ERETIC signal.
Mon Jul 04 19:38:44.769 CEST 2022: Spectrum is suppressed.
Mon Jul 04 19:38:44.772 CEST 2022: Elapsed time for evaluation (SPT Suite): 0.01 s.
Mon Jul 04 19:38:44.777 CEST 2022: Suppression frequencies at: 4.770 
Mon Jul 04 19:38:44.780 CEST 2022: Elapsed time for evaluation (SFF Suite): 0.01 s.
Mon Jul 04 19:38:44.783 CEST 2022: Expected impurity: TMS
Mon Jul 04 19:38:44.786 CEST 2022: Expected impurity: DMSO_D5
Mon Jul 04 19:38:44.788 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 19:38:44.791 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 19:38:44.794 CEST 2022: Elapsed time for evaluation (IMR Suite): 0.01 s.
Mon Jul 04 19:38:44.796 CEST 2022: RMSD noise: 18550891.206 (-0.176/-0.676)
Mon Jul 04 19:38:44.799 CEST 2022: Elapsed time for evaluation (ND Suite): 0.00 s.
Mon Jul 04 19:38:44.802 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon Jul 04 19:38:44.806 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon Jul 04 19:38:44.831 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.02 s.
Mon Jul 04 19:38:44.929 CEST 2022: Number of Peaks: (80, 11)
Mon Jul 04 19:38:44.932 CEST 2022: Elapsed time for evaluation (PP Suite): 0.10 s.
Mon Jul 04 19:38:44.935 CEST 2022: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon Jul 04 19:38:44.997 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.06 s.
Mon Jul 04 19:38:45.002 CEST 2022: Signal-to-Noise ratio: 14775.18 (3.793 ppm)
Mon Jul 04 19:38:45.005 CEST 2022: Elapsed time for evaluation (SND Suite): 0.00 s.
Mon Jul 04 19:38:45.008 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 19:38:45.010 CEST 2022: Elapsed time for evaluation (PRE Suite): 0.26 s.
Mon Jul 04 19:38:45.034 CEST 2022: Number of Multiplets: 131
Mon Jul 04 19:38:45.037 CEST 2022: Elapsed time for evaluation (MMG Suite): 0.02 s.
Mon Jul 04 19:38:45.085 CEST 2022: Number of Peak Cluster: 27
Mon Jul 04 19:38:45.092 CEST 2022: Elapsed time for evaluation (PCG Suite): 0.05 s.
Mon Jul 04 19:38:45.105 CEST 2022: Elapsed time for evaluation (IMSO Suite): 0.01 s.
Mon Jul 04 19:38:45.253 CEST 2022: Elapsed time for evaluation (SMOOTH Suite): 0.14 s.
Mon Jul 04 19:38:45.269 CEST 2022: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.01 s.
Mon Jul 04 19:38:45.275 CEST 2022: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon Jul 04 19:38:45.279 CEST 2022: Number of consistent PNS: 1
Mon Jul 04 19:38:45.281 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.00 s.
Mon Jul 04 19:38:45.284 CEST 2022: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon Jul 04 19:38:45.288 CEST 2022: Elapsed time for evaluation (ASSIGN Suite): 0.00 s.
Mon Jul 04 19:38:45.295 CEST 2022: Elapsed time for evaluation (IN Suite): 0.00 s.
Mon Jul 04 19:38:45.354 CEST 2022: CMC-assist project state: AutoConsistent
Mon Jul 04 19:38:45.357 CEST 2022: Impurity 13C satellite filter active!
Mon Jul 04 19:38:45.738 CEST 2022: Elapsed time for evaluation (FIN Suite): 0.44 s.
Mon Jul 04 19:38:45.740 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 19:38:45.743 CEST 2022: CMC-q finished in 3.58 s.
