Mon Jul 04 19:41:49.892 CEST 2022: Starting CMC-q package (b:17) with command cmcq assistant analysis
Mon Jul 04 19:41:49.896 CEST 2022: Analysing data set: E:\TopSpin4.0.8\data\EU_Openscreen\CMCq\CMCq\nmr\Consistent\E11_EUOS_Plate08_E11\1\pdata\1
Mon Jul 04 19:41:49.903 CEST 2022: Solvent of PROTON is unknown - set to: POLYSOLV
Mon Jul 04 19:41:49.907 CEST 2022: TD: 32768 SI: 65536 SW: 13.663
Mon Jul 04 19:41:49.910 CEST 2022: PT/PPM: 4796.3850 PT/Hz: 7.9953
Mon Jul 04 19:41:49.946 CEST 2022: No HSQC data available
Mon Jul 04 19:41:49.958 CEST 2022: No C13 data available
Mon Jul 04 19:41:49.969 CEST 2022: No HMBC data available
Mon Jul 04 19:41:49.977 CEST 2022: Elapsed time for evaluation (XD Suite): 0.01 s.
Mon Jul 04 19:41:49.995 CEST 2022: Elapsed time for evaluation (SPD Suite): 0.01 s.
Mon Jul 04 19:41:50.077 CEST 2022: Structure is used: true
Mon Jul 04 19:41:50.101 CEST 2022: MOL-File E:/TopSpin4.0.8/data/EU_Openscreen/CMCq/CMCq/nmr/Consistent/E11_EUOS_Plate08_E11/1/E11_EUOS_Plate08_E11-fcbc32e7-daa3-43ed-9a97-6284f5de05f3.mol
Mon Jul 04 19:41:50.104 CEST 2022: Elapsed time for evaluation (STD Suite - BCH): 0.11 s.
Mon Jul 04 19:41:50.110 CEST 2022: Initial check warning: SR is not equal to zero; this might not be intended!
Mon Jul 04 19:41:50.113 CEST 2022: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon Jul 04 19:41:50.116 CEST 2022: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon Jul 04 19:41:50.118 CEST 2022: Spectrum is not 13C decoupled.
Mon Jul 04 19:41:50.121 CEST 2022: Spectrum does not contain ERETIC signal.
Mon Jul 04 19:41:50.123 CEST 2022: Spectrum is suppressed.
Mon Jul 04 19:41:50.125 CEST 2022: Elapsed time for evaluation (SPT Suite): 0.01 s.
Mon Jul 04 19:41:50.130 CEST 2022: Suppression frequencies at: 4.770 
Mon Jul 04 19:41:50.132 CEST 2022: Elapsed time for evaluation (SFF Suite): 0.00 s.
Mon Jul 04 19:41:50.135 CEST 2022: Expected impurity: TMS
Mon Jul 04 19:41:50.137 CEST 2022: Expected impurity: DMSO_D5
Mon Jul 04 19:41:50.140 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 19:41:50.143 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 19:41:50.145 CEST 2022: Elapsed time for evaluation (IMR Suite): 0.01 s.
Mon Jul 04 19:41:50.148 CEST 2022: RMSD noise: 17368455.679 (11.602/11.102)
Mon Jul 04 19:41:50.150 CEST 2022: Elapsed time for evaluation (ND Suite): 0.00 s.
Mon Jul 04 19:41:50.153 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon Jul 04 19:41:50.157 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon Jul 04 19:41:50.183 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.02 s.
Mon Jul 04 19:41:50.342 CEST 2022: Number of Peaks: (175, 21)
Mon Jul 04 19:41:50.345 CEST 2022: Elapsed time for evaluation (PP Suite): 0.16 s.
Mon Jul 04 19:41:50.348 CEST 2022: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon Jul 04 19:41:50.384 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.03 s.
Mon Jul 04 19:41:50.387 CEST 2022: Signal-to-Noise ratio: 3630.95 (8.386 ppm)
Mon Jul 04 19:41:50.390 CEST 2022: Elapsed time for evaluation (SND Suite): 0.00 s.
Mon Jul 04 19:41:50.393 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 19:41:50.395 CEST 2022: Elapsed time for evaluation (PRE Suite): 0.29 s.
Mon Jul 04 19:41:50.468 CEST 2022: Number of Multiplets: 323
Mon Jul 04 19:41:50.471 CEST 2022: Elapsed time for evaluation (MMG Suite): 0.07 s.
Mon Jul 04 19:41:50.563 CEST 2022: Number of Peak Cluster: 39
Mon Jul 04 19:41:50.569 CEST 2022: Elapsed time for evaluation (PCG Suite): 0.10 s.
Mon Jul 04 19:41:50.587 CEST 2022: Elapsed time for evaluation (IMSO Suite): 0.02 s.
Mon Jul 04 19:41:50.805 CEST 2022: Elapsed time for evaluation (SMOOTH Suite): 0.21 s.
Mon Jul 04 19:41:50.829 CEST 2022: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.02 s.
Mon Jul 04 19:41:50.846 CEST 2022: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon Jul 04 19:41:50.851 CEST 2022: Number of consistent PNS: 3
Mon Jul 04 19:41:50.853 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.00 s.
Mon Jul 04 19:41:50.856 CEST 2022: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon Jul 04 19:41:50.861 CEST 2022: Elapsed time for evaluation (ASSIGN Suite): 0.00 s.
Mon Jul 04 19:41:50.911 CEST 2022: Elapsed time for evaluation (IN Suite): 0.05 s.
Mon Jul 04 19:41:50.968 CEST 2022: CMC-assist project state: AutoConsistent
Mon Jul 04 19:41:50.971 CEST 2022: Impurity 13C satellite filter active!
Mon Jul 04 19:41:51.386 CEST 2022: Elapsed time for evaluation (FIN Suite): 0.47 s.
Mon Jul 04 19:41:51.390 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 19:41:51.393 CEST 2022: CMC-q finished in 1.50 s.
