Mon Jul 04 19:35:37.676 CEST 2022: Starting CMC-q package (b:17) with command cmcq assistant analysis
Mon Jul 04 19:35:37.680 CEST 2022: Analysing data set: E:\TopSpin4.0.8\data\EU_Openscreen\CMCq\CMCq\nmr\Consistent\D2_EUOS_Plate08_D2\1\pdata\1
Mon Jul 04 19:35:37.687 CEST 2022: Solvent of PROTON is unknown - set to: POLYSOLV
Mon Jul 04 19:35:37.691 CEST 2022: TD: 32768 SI: 65536 SW: 13.663
Mon Jul 04 19:35:37.694 CEST 2022: PT/PPM: 4796.3850 PT/Hz: 7.9953
Mon Jul 04 19:35:37.707 CEST 2022: No HSQC data available
Mon Jul 04 19:35:37.720 CEST 2022: No C13 data available
Mon Jul 04 19:35:37.733 CEST 2022: No HMBC data available
Mon Jul 04 19:35:37.742 CEST 2022: Elapsed time for evaluation (XD Suite): 0.01 s.
Mon Jul 04 19:35:37.767 CEST 2022: Elapsed time for evaluation (SPD Suite): 0.02 s.
Mon Jul 04 19:35:37.883 CEST 2022: Structure is used: true
Mon Jul 04 19:35:37.886 CEST 2022: MOL-File E:/TopSpin4.0.8/data/EU_Openscreen/CMCq/CMCq/nmr/Consistent/D2_EUOS_Plate08_D2/1/D2_EUOS_Plate08_D2-bf8a62bc-791b-490c-9d79-5282356fc10e.mol
Mon Jul 04 19:35:37.889 CEST 2022: Elapsed time for evaluation (STD Suite - BCH): 0.12 s.
Mon Jul 04 19:35:37.896 CEST 2022: Initial check warning: SR is not equal to zero; this might not be intended!
Mon Jul 04 19:35:37.899 CEST 2022: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon Jul 04 19:35:37.902 CEST 2022: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon Jul 04 19:35:37.904 CEST 2022: Spectrum is not 13C decoupled.
Mon Jul 04 19:35:37.907 CEST 2022: Spectrum does not contain ERETIC signal.
Mon Jul 04 19:35:37.910 CEST 2022: Spectrum is suppressed.
Mon Jul 04 19:35:37.913 CEST 2022: Elapsed time for evaluation (SPT Suite): 0.01 s.
Mon Jul 04 19:35:37.917 CEST 2022: Suppression frequencies at: 4.769 
Mon Jul 04 19:35:37.919 CEST 2022: Elapsed time for evaluation (SFF Suite): 0.00 s.
Mon Jul 04 19:35:37.922 CEST 2022: Expected impurity: TMS
Mon Jul 04 19:35:37.925 CEST 2022: Expected impurity: DMSO_D5
Mon Jul 04 19:35:37.928 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 19:35:37.930 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 19:35:37.933 CEST 2022: Elapsed time for evaluation (IMR Suite): 0.01 s.
Mon Jul 04 19:35:37.936 CEST 2022: RMSD noise: 18900290.418 (10.908/10.408)
Mon Jul 04 19:35:37.938 CEST 2022: Elapsed time for evaluation (ND Suite): 0.00 s.
Mon Jul 04 19:35:37.941 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon Jul 04 19:35:37.945 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon Jul 04 19:35:37.970 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.02 s.
Mon Jul 04 19:35:38.087 CEST 2022: Number of Peaks: (110, 11)
Mon Jul 04 19:35:38.113 CEST 2022: Elapsed time for evaluation (PP Suite): 0.14 s.
Mon Jul 04 19:35:38.116 CEST 2022: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon Jul 04 19:35:38.148 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.03 s.
Mon Jul 04 19:35:38.151 CEST 2022: Signal-to-Noise ratio: 18645.95 (2.281 ppm)
Mon Jul 04 19:35:38.154 CEST 2022: Elapsed time for evaluation (SND Suite): 0.00 s.
Mon Jul 04 19:35:38.157 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 19:35:38.159 CEST 2022: Elapsed time for evaluation (PRE Suite): 0.27 s.
Mon Jul 04 19:35:38.187 CEST 2022: Number of Multiplets: 168
Mon Jul 04 19:35:38.191 CEST 2022: Elapsed time for evaluation (MMG Suite): 0.03 s.
Mon Jul 04 19:35:38.260 CEST 2022: Number of Peak Cluster: 36
Mon Jul 04 19:35:38.268 CEST 2022: Elapsed time for evaluation (PCG Suite): 0.07 s.
Mon Jul 04 19:35:38.294 CEST 2022: Elapsed time for evaluation (IMSO Suite): 0.02 s.
Mon Jul 04 19:35:38.462 CEST 2022: Elapsed time for evaluation (SMOOTH Suite): 0.17 s.
Mon Jul 04 19:35:38.469 CEST 2022: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Mon Jul 04 19:35:38.475 CEST 2022: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon Jul 04 19:35:38.482 CEST 2022: Number of consistent PNS: 5
Mon Jul 04 19:35:38.485 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.01 s.
Mon Jul 04 19:35:38.490 CEST 2022: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon Jul 04 19:35:38.528 CEST 2022: Elapsed time for evaluation (ASSIGN Suite): 0.04 s.
Mon Jul 04 19:35:38.830 CEST 2022: Elapsed time for evaluation (IN Suite): 0.30 s.
Mon Jul 04 19:35:38.900 CEST 2022: CMC-assist project state: AutoConsistent
Mon Jul 04 19:35:38.904 CEST 2022: Impurity 13C satellite filter active!
Mon Jul 04 19:35:38.906 CEST 2022: Impurity 13C satellite filter active!
Mon Jul 04 19:35:39.300 CEST 2022: Elapsed time for evaluation (FIN Suite): 0.46 s.
Mon Jul 04 19:35:39.302 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 19:35:39.305 CEST 2022: CMC-q finished in 1.63 s.
