Mon Jul 04 19:36:24.145 CEST 2022: Starting CMC-q package (b:17) with command cmcq assistant analysis
Mon Jul 04 19:36:24.148 CEST 2022: Analysing data set: E:\TopSpin4.0.8\data\EU_Openscreen\CMCq\CMCq\nmr\Consistent\A4_EUOS_Plate08_A4\1\pdata\1
Mon Jul 04 19:36:24.155 CEST 2022: Solvent of PROTON is unknown - set to: POLYSOLV
Mon Jul 04 19:36:24.159 CEST 2022: TD: 32768 SI: 65536 SW: 13.663
Mon Jul 04 19:36:24.162 CEST 2022: PT/PPM: 4796.3850 PT/Hz: 7.9953
Mon Jul 04 19:36:24.558 CEST 2022: No HSQC data available
Mon Jul 04 19:36:24.576 CEST 2022: No C13 data available
Mon Jul 04 19:36:24.613 CEST 2022: No HMBC data available
Mon Jul 04 19:36:24.621 CEST 2022: Elapsed time for evaluation (XD Suite): 0.01 s.
Mon Jul 04 19:36:24.639 CEST 2022: Elapsed time for evaluation (SPD Suite): 0.02 s.
Mon Jul 04 19:36:24.742 CEST 2022: Structure is used: true
Mon Jul 04 19:36:24.746 CEST 2022: MOL-File E:/TopSpin4.0.8/data/EU_Openscreen/CMCq/CMCq/nmr/Consistent/A4_EUOS_Plate08_A4/1/A4_EUOS_Plate08_A4-17564ab8-90c3-4907-b477-c97d452b7488.mol
Mon Jul 04 19:36:24.749 CEST 2022: Elapsed time for evaluation (STD Suite - BCH): 0.11 s.
Mon Jul 04 19:36:24.756 CEST 2022: Initial check warning: SR is not equal to zero; this might not be intended!
Mon Jul 04 19:36:24.758 CEST 2022: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon Jul 04 19:36:24.761 CEST 2022: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon Jul 04 19:36:24.763 CEST 2022: Spectrum is not 13C decoupled.
Mon Jul 04 19:36:24.766 CEST 2022: Spectrum does not contain ERETIC signal.
Mon Jul 04 19:36:24.768 CEST 2022: Spectrum is suppressed.
Mon Jul 04 19:36:24.771 CEST 2022: Elapsed time for evaluation (SPT Suite): 0.01 s.
Mon Jul 04 19:36:24.775 CEST 2022: Suppression frequencies at: 4.769 
Mon Jul 04 19:36:24.777 CEST 2022: Elapsed time for evaluation (SFF Suite): 0.00 s.
Mon Jul 04 19:36:24.780 CEST 2022: Expected impurity: TMS
Mon Jul 04 19:36:24.782 CEST 2022: Expected impurity: DMSO_D5
Mon Jul 04 19:36:24.785 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 19:36:24.787 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 19:36:24.790 CEST 2022: Elapsed time for evaluation (IMR Suite): 0.01 s.
Mon Jul 04 19:36:24.792 CEST 2022: RMSD noise: 19072676.617 (9.522/9.022)
Mon Jul 04 19:36:24.794 CEST 2022: Elapsed time for evaluation (ND Suite): 0.00 s.
Mon Jul 04 19:36:24.797 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon Jul 04 19:36:24.801 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon Jul 04 19:36:24.827 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.02 s.
Mon Jul 04 19:36:24.947 CEST 2022: Number of Peaks: (109, 21)
Mon Jul 04 19:36:24.951 CEST 2022: Elapsed time for evaluation (PP Suite): 0.12 s.
Mon Jul 04 19:36:24.954 CEST 2022: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon Jul 04 19:36:24.971 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.01 s.
Mon Jul 04 19:36:24.974 CEST 2022: Signal-to-Noise ratio: 7138.27 (2.160 ppm)
Mon Jul 04 19:36:24.977 CEST 2022: Elapsed time for evaluation (SND Suite): 0.00 s.
Mon Jul 04 19:36:24.979 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 19:36:24.981 CEST 2022: Elapsed time for evaluation (PRE Suite): 0.23 s.
Mon Jul 04 19:36:25.010 CEST 2022: Number of Multiplets: 161
Mon Jul 04 19:36:25.013 CEST 2022: Elapsed time for evaluation (MMG Suite): 0.03 s.
Mon Jul 04 19:36:25.085 CEST 2022: Number of Peak Cluster: 35
Mon Jul 04 19:36:25.091 CEST 2022: Elapsed time for evaluation (PCG Suite): 0.07 s.
Mon Jul 04 19:36:25.100 CEST 2022: Elapsed time for evaluation (IMSO Suite): 0.01 s.
Mon Jul 04 19:36:25.284 CEST 2022: Elapsed time for evaluation (SMOOTH Suite): 0.18 s.
Mon Jul 04 19:36:25.309 CEST 2022: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.01 s.
Mon Jul 04 19:36:25.315 CEST 2022: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon Jul 04 19:36:25.320 CEST 2022: Number of consistent PNS: 4
Mon Jul 04 19:36:25.322 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.00 s.
Mon Jul 04 19:36:25.326 CEST 2022: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon Jul 04 19:36:25.365 CEST 2022: Elapsed time for evaluation (ASSIGN Suite): 0.04 s.
Mon Jul 04 19:36:25.497 CEST 2022: Elapsed time for evaluation (IN Suite): 0.13 s.
Mon Jul 04 19:36:25.575 CEST 2022: CMC-assist project state: AutoConsistent
Mon Jul 04 19:36:25.578 CEST 2022: Impurity 13C satellite filter active!
Mon Jul 04 19:36:25.965 CEST 2022: Elapsed time for evaluation (FIN Suite): 0.46 s.
Mon Jul 04 19:36:25.968 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 19:36:25.970 CEST 2022: CMC-q finished in 1.82 s.
