Mon Jul 04 19:39:52.604 CEST 2022: Starting CMC-q package (b:17) with command cmcq assistant analysis
Mon Jul 04 19:39:52.607 CEST 2022: Analysing data set: E:\TopSpin4.0.8\data\EU_Openscreen\CMCq\CMCq\nmr\Consistent\D9_EUOS_Plate08_D9\1\pdata\1
Mon Jul 04 19:39:52.615 CEST 2022: Solvent of PROTON is unknown - set to: POLYSOLV
Mon Jul 04 19:39:52.619 CEST 2022: TD: 32768 SI: 65536 SW: 13.663
Mon Jul 04 19:39:52.622 CEST 2022: PT/PPM: 4796.3850 PT/Hz: 7.9953
Mon Jul 04 19:39:56.637 CEST 2022: No HSQC data available
Mon Jul 04 19:39:56.653 CEST 2022: No C13 data available
Mon Jul 04 19:39:56.667 CEST 2022: No HMBC data available
Mon Jul 04 19:39:56.676 CEST 2022: Elapsed time for evaluation (XD Suite): 0.01 s.
Mon Jul 04 19:39:56.695 CEST 2022: Elapsed time for evaluation (SPD Suite): 0.02 s.
Mon Jul 04 19:39:56.815 CEST 2022: Structure is used: true
Mon Jul 04 19:39:56.833 CEST 2022: MOL-File E:/TopSpin4.0.8/data/EU_Openscreen/CMCq/CMCq/nmr/Consistent/D9_EUOS_Plate08_D9/1/D9_EUOS_Plate08_D9-347cb4e1-17c1-494c-8d01-13dbf9aab3a8.mol
Mon Jul 04 19:39:56.836 CEST 2022: Elapsed time for evaluation (STD Suite - BCH): 0.14 s.
Mon Jul 04 19:39:56.842 CEST 2022: Initial check warning: SR is not equal to zero; this might not be intended!
Mon Jul 04 19:39:56.844 CEST 2022: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon Jul 04 19:39:56.848 CEST 2022: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon Jul 04 19:39:56.850 CEST 2022: Spectrum is not 13C decoupled.
Mon Jul 04 19:39:56.853 CEST 2022: Spectrum does not contain ERETIC signal.
Mon Jul 04 19:39:56.855 CEST 2022: Spectrum is suppressed.
Mon Jul 04 19:39:56.858 CEST 2022: Elapsed time for evaluation (SPT Suite): 0.01 s.
Mon Jul 04 19:39:56.863 CEST 2022: Suppression frequencies at: 4.769 
Mon Jul 04 19:39:56.865 CEST 2022: Elapsed time for evaluation (SFF Suite): 0.00 s.
Mon Jul 04 19:39:56.868 CEST 2022: Expected impurity: TMS
Mon Jul 04 19:39:56.871 CEST 2022: Expected impurity: DMSO_D5
Mon Jul 04 19:39:56.873 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 19:39:56.876 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 19:39:56.878 CEST 2022: Elapsed time for evaluation (IMR Suite): 0.01 s.
Mon Jul 04 19:39:56.882 CEST 2022: RMSD noise: 18287559.229 (-1.562/-2.062)
Mon Jul 04 19:39:56.884 CEST 2022: Elapsed time for evaluation (ND Suite): 0.00 s.
Mon Jul 04 19:39:56.888 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon Jul 04 19:39:56.892 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon Jul 04 19:39:56.917 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.02 s.
Mon Jul 04 19:39:57.226 CEST 2022: Number of Peaks: (253, 73)
Mon Jul 04 19:39:57.229 CEST 2022: Elapsed time for evaluation (PP Suite): 0.31 s.
Mon Jul 04 19:39:57.232 CEST 2022: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon Jul 04 19:39:57.268 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.03 s.
Mon Jul 04 19:39:57.271 CEST 2022: Signal-to-Noise ratio: 3225.17 (1.632 ppm)
Mon Jul 04 19:39:57.274 CEST 2022: Elapsed time for evaluation (SND Suite): 0.00 s.
Mon Jul 04 19:39:57.277 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 19:39:57.280 CEST 2022: Elapsed time for evaluation (PRE Suite): 0.44 s.
Mon Jul 04 19:39:57.600 CEST 2022: Number of Multiplets: 579
Mon Jul 04 19:39:57.612 CEST 2022: Elapsed time for evaluation (MMG Suite): 0.33 s.
Mon Jul 04 19:39:57.755 CEST 2022: Number of Peak Cluster: 35
Mon Jul 04 19:39:57.763 CEST 2022: Elapsed time for evaluation (PCG Suite): 0.15 s.
Mon Jul 04 19:39:57.784 CEST 2022: Elapsed time for evaluation (IMSO Suite): 0.02 s.
Mon Jul 04 19:39:58.194 CEST 2022: Elapsed time for evaluation (SMOOTH Suite): 0.41 s.
Mon Jul 04 19:39:58.228 CEST 2022: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.03 s.
Mon Jul 04 19:39:58.234 CEST 2022: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon Jul 04 19:39:58.240 CEST 2022: Number of consistent PNS: 3
Mon Jul 04 19:39:58.243 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.01 s.
Mon Jul 04 19:39:58.247 CEST 2022: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon Jul 04 19:39:58.871 CEST 2022: Elapsed time for evaluation (ASSIGN Suite): 0.62 s.
Mon Jul 04 19:40:00.415 CEST 2022: Elapsed time for evaluation (IN Suite): 1.54 s.
Mon Jul 04 19:40:00.472 CEST 2022: CMC-assist project state: AutoConsistent
Mon Jul 04 19:40:00.476 CEST 2022: Impurity 13C satellite filter active!
Mon Jul 04 19:40:00.478 CEST 2022: Impurity 13C satellite filter active!
Mon Jul 04 19:40:00.885 CEST 2022: Elapsed time for evaluation (FIN Suite): 0.47 s.
Mon Jul 04 19:40:00.888 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 19:40:00.890 CEST 2022: CMC-q finished in 8.29 s.
