Mon Jul 04 16:21:49.474 CEST 2022: Starting CMC-q package (b:17) with command cmcq assistant analysis
Mon Jul 04 16:21:49.477 CEST 2022: Analysing data set: E:\TopSpin4.0.8\data\EU_Openscreen\CMCq\CMCq\nmr\Consistent\B5_OS_Plate011_B5\1\pdata\1
Mon Jul 04 16:21:49.488 CEST 2022: Solvent of PROTON is unknown - set to: POLYSOLV
Mon Jul 04 16:21:49.492 CEST 2022: TD: 32768 SI: 65536 SW: 16.028
Mon Jul 04 16:21:49.495 CEST 2022: PT/PPM: 4088.7212 PT/Hz: 6.8157
Mon Jul 04 16:21:49.529 CEST 2022: No HSQC data available
Mon Jul 04 16:21:49.540 CEST 2022: No C13 data available
Mon Jul 04 16:21:49.552 CEST 2022: No HMBC data available
Mon Jul 04 16:21:49.560 CEST 2022: Elapsed time for evaluation (XD Suite): 0.01 s.
Mon Jul 04 16:21:49.582 CEST 2022: Elapsed time for evaluation (SPD Suite): 0.02 s.
Mon Jul 04 16:21:49.703 CEST 2022: Structure is used: true
Mon Jul 04 16:21:49.736 CEST 2022: MOL-File E:/TopSpin4.0.8/data/EU_Openscreen/CMCq/CMCq/nmr/Consistent/B5_OS_Plate011_B5/1/B5_OS_Plate11_B5-a729e5e1-ebe9-4241-b76c-6ffcba757cbd.mol
Mon Jul 04 16:21:49.739 CEST 2022: Elapsed time for evaluation (STD Suite - BCH): 0.15 s.
Mon Jul 04 16:21:49.750 CEST 2022: Initial check warning: SR is not equal to zero; this might not be intended!
Mon Jul 04 16:21:49.753 CEST 2022: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon Jul 04 16:21:49.756 CEST 2022: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon Jul 04 16:21:49.759 CEST 2022: Spectrum is not 13C decoupled.
Mon Jul 04 16:21:49.761 CEST 2022: Spectrum does not contain ERETIC signal.
Mon Jul 04 16:21:49.764 CEST 2022: Spectrum is suppressed.
Mon Jul 04 16:21:49.766 CEST 2022: Elapsed time for evaluation (SPT Suite): 0.01 s.
Mon Jul 04 16:21:49.771 CEST 2022: Suppression frequencies at: 4.654 
Mon Jul 04 16:21:49.773 CEST 2022: Elapsed time for evaluation (SFF Suite): 0.01 s.
Mon Jul 04 16:21:49.777 CEST 2022: Expected impurity: TMS
Mon Jul 04 16:21:49.779 CEST 2022: Expected impurity: DMSO_D5
Mon Jul 04 16:21:49.782 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 16:21:49.784 CEST 2022: Elapsed time for evaluation (IMR Suite): 0.01 s.
Mon Jul 04 16:21:49.787 CEST 2022: RMSD noise: 31166278.000 (10.217/9.717)
Mon Jul 04 16:21:49.789 CEST 2022: Elapsed time for evaluation (ND Suite): 0.00 s.
Mon Jul 04 16:21:49.792 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon Jul 04 16:21:49.796 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon Jul 04 16:21:49.820 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.02 s.
Mon Jul 04 16:21:49.900 CEST 2022: Number of Peaks: (65, 9)
Mon Jul 04 16:21:49.903 CEST 2022: Elapsed time for evaluation (PP Suite): 0.08 s.
Mon Jul 04 16:21:49.906 CEST 2022: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon Jul 04 16:21:49.919 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.01 s.
Mon Jul 04 16:21:49.922 CEST 2022: Signal-to-Noise ratio: 10471.19 (2.227 ppm)
Mon Jul 04 16:21:49.925 CEST 2022: Elapsed time for evaluation (SND Suite): 0.00 s.
Mon Jul 04 16:21:49.927 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:21:49.930 CEST 2022: Elapsed time for evaluation (PRE Suite): 0.19 s.
Mon Jul 04 16:21:49.943 CEST 2022: Number of Multiplets: 82
Mon Jul 04 16:21:49.946 CEST 2022: Elapsed time for evaluation (MMG Suite): 0.01 s.
Mon Jul 04 16:21:49.988 CEST 2022: Number of Peak Cluster: 28
Mon Jul 04 16:21:49.994 CEST 2022: Elapsed time for evaluation (PCG Suite): 0.05 s.
Mon Jul 04 16:21:50.005 CEST 2022: Elapsed time for evaluation (IMSO Suite): 0.01 s.
Mon Jul 04 16:21:50.143 CEST 2022: Elapsed time for evaluation (SMOOTH Suite): 0.14 s.
Mon Jul 04 16:21:50.147 CEST 2022: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Mon Jul 04 16:21:50.152 CEST 2022: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon Jul 04 16:21:50.156 CEST 2022: Number of consistent PNS: 3
Mon Jul 04 16:21:50.158 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.00 s.
Mon Jul 04 16:21:50.161 CEST 2022: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon Jul 04 16:21:50.170 CEST 2022: Elapsed time for evaluation (ASSIGN Suite): 0.01 s.
Mon Jul 04 16:21:50.198 CEST 2022: Elapsed time for evaluation (IN Suite): 0.03 s.
Mon Jul 04 16:21:50.249 CEST 2022: CMC-assist project state: AutoConsistent
Mon Jul 04 16:21:50.252 CEST 2022: Impurity 13C satellite filter active!
Mon Jul 04 16:21:50.591 CEST 2022: Elapsed time for evaluation (FIN Suite): 0.39 s.
Mon Jul 04 16:21:50.595 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:21:50.597 CEST 2022: CMC-q finished in 1.12 s.
