Mon Jul 04 19:35:33.688 CEST 2022: Starting CMC-q package (b:17) with command cmcq assistant analysis
Mon Jul 04 19:35:33.691 CEST 2022: Analysing data set: E:\TopSpin4.0.8\data\EU_Openscreen\CMCq\CMCq\nmr\Consistent\B2_EUOS_Plate08_B2\1\pdata\1
Mon Jul 04 19:35:33.699 CEST 2022: Solvent of PROTON is unknown - set to: POLYSOLV
Mon Jul 04 19:35:33.703 CEST 2022: TD: 32768 SI: 65536 SW: 13.663
Mon Jul 04 19:35:33.707 CEST 2022: PT/PPM: 4796.3850 PT/Hz: 7.9953
Mon Jul 04 19:35:33.718 CEST 2022: No HSQC data available
Mon Jul 04 19:35:33.730 CEST 2022: No C13 data available
Mon Jul 04 19:35:33.740 CEST 2022: No HMBC data available
Mon Jul 04 19:35:33.749 CEST 2022: Elapsed time for evaluation (XD Suite): 0.01 s.
Mon Jul 04 19:35:33.789 CEST 2022: Elapsed time for evaluation (SPD Suite): 0.04 s.
Mon Jul 04 19:35:33.884 CEST 2022: Structure is used: true
Mon Jul 04 19:35:33.907 CEST 2022: MOL-File E:/TopSpin4.0.8/data/EU_Openscreen/CMCq/CMCq/nmr/Consistent/B2_EUOS_Plate08_B2/1/B2_EUOS_Plate08_B2-46452c66-834a-4b5e-980c-2e05e3278379.mol
Mon Jul 04 19:35:33.909 CEST 2022: Elapsed time for evaluation (STD Suite - BCH): 0.12 s.
Mon Jul 04 19:35:33.916 CEST 2022: Initial check warning: SR is not equal to zero; this might not be intended!
Mon Jul 04 19:35:33.919 CEST 2022: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon Jul 04 19:35:33.923 CEST 2022: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon Jul 04 19:35:33.925 CEST 2022: Spectrum is not 13C decoupled.
Mon Jul 04 19:35:33.928 CEST 2022: Spectrum does not contain ERETIC signal.
Mon Jul 04 19:35:33.930 CEST 2022: Spectrum is suppressed.
Mon Jul 04 19:35:33.933 CEST 2022: Elapsed time for evaluation (SPT Suite): 0.01 s.
Mon Jul 04 19:35:33.937 CEST 2022: Suppression frequencies at: 4.770 
Mon Jul 04 19:35:33.940 CEST 2022: Elapsed time for evaluation (SFF Suite): 0.00 s.
Mon Jul 04 19:35:33.943 CEST 2022: Expected impurity: TMS
Mon Jul 04 19:35:33.946 CEST 2022: Expected impurity: DMSO_D5
Mon Jul 04 19:35:33.949 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 19:35:33.952 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 19:35:33.954 CEST 2022: Elapsed time for evaluation (IMR Suite): 0.01 s.
Mon Jul 04 19:35:33.957 CEST 2022: RMSD noise: 17882992.643 (11.601/11.101)
Mon Jul 04 19:35:33.960 CEST 2022: Elapsed time for evaluation (ND Suite): 0.00 s.
Mon Jul 04 19:35:33.963 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon Jul 04 19:35:33.967 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon Jul 04 19:35:33.993 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.02 s.
Mon Jul 04 19:35:34.102 CEST 2022: Number of Peaks: (101, 9)
Mon Jul 04 19:35:34.105 CEST 2022: Elapsed time for evaluation (PP Suite): 0.11 s.
Mon Jul 04 19:35:34.109 CEST 2022: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon Jul 04 19:35:34.118 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.01 s.
Mon Jul 04 19:35:34.121 CEST 2022: Signal-to-Noise ratio: 8002.20 (7.882 ppm)
Mon Jul 04 19:35:34.124 CEST 2022: Elapsed time for evaluation (SND Suite): 0.00 s.
Mon Jul 04 19:35:34.127 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 19:35:34.130 CEST 2022: Elapsed time for evaluation (PRE Suite): 0.22 s.
Mon Jul 04 19:35:34.156 CEST 2022: Number of Multiplets: 151
Mon Jul 04 19:35:34.159 CEST 2022: Elapsed time for evaluation (MMG Suite): 0.03 s.
Mon Jul 04 19:35:34.234 CEST 2022: Number of Peak Cluster: 42
Mon Jul 04 19:35:34.241 CEST 2022: Elapsed time for evaluation (PCG Suite): 0.08 s.
Mon Jul 04 19:35:34.275 CEST 2022: Elapsed time for evaluation (IMSO Suite): 0.03 s.
Mon Jul 04 19:35:34.451 CEST 2022: Elapsed time for evaluation (SMOOTH Suite): 0.17 s.
Mon Jul 04 19:35:34.470 CEST 2022: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Mon Jul 04 19:35:34.475 CEST 2022: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon Jul 04 19:35:34.480 CEST 2022: Number of consistent PNS: 4
Mon Jul 04 19:35:34.483 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.01 s.
Mon Jul 04 19:35:34.486 CEST 2022: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon Jul 04 19:35:34.495 CEST 2022: Elapsed time for evaluation (ASSIGN Suite): 0.01 s.
Mon Jul 04 19:35:34.529 CEST 2022: Elapsed time for evaluation (IN Suite): 0.03 s.
Mon Jul 04 19:35:34.588 CEST 2022: CMC-assist project state: AutoConsistent
Mon Jul 04 19:35:34.590 CEST 2022: Impurity 13C satellite filter active!
Mon Jul 04 19:35:34.978 CEST 2022: Elapsed time for evaluation (FIN Suite): 0.44 s.
Mon Jul 04 19:35:34.982 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 19:35:34.984 CEST 2022: CMC-q finished in 1.30 s.
