Mon Jul 04 16:48:39.685 CEST 2022: Starting CMC-q package (b:17) with command cmcq assistant analysis
Mon Jul 04 16:48:39.688 CEST 2022: Analysing data set: E:\TopSpin4.0.8\data\EU_Openscreen\CMCq\CMCq\nmr\Consistent\F8_OS_Plate05_F8\1\pdata\1
Mon Jul 04 16:48:39.696 CEST 2022: Solvent of PROTON is unknown - set to: POLYSOLV
Mon Jul 04 16:48:39.700 CEST 2022: TD: 32768 SI: 65536 SW: 16.028
Mon Jul 04 16:48:39.703 CEST 2022: PT/PPM: 4088.7212 PT/Hz: 6.8157
Mon Jul 04 16:48:39.734 CEST 2022: No HSQC data available
Mon Jul 04 16:48:39.747 CEST 2022: No C13 data available
Mon Jul 04 16:48:39.761 CEST 2022: No HMBC data available
Mon Jul 04 16:48:39.769 CEST 2022: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon Jul 04 16:48:39.790 CEST 2022: Elapsed time for evaluation (SPD Suite): 0.02 s.
Mon Jul 04 16:48:39.938 CEST 2022: Structure is used: true
Mon Jul 04 16:48:39.941 CEST 2022: MOL-File E:/TopSpin4.0.8/data/EU_Openscreen/CMCq/CMCq/nmr/Consistent/F8_OS_Plate05_F8/1/8_OS_Plate05_F8.mol
Mon Jul 04 16:48:39.943 CEST 2022: Elapsed time for evaluation (STD Suite - BCH): 0.15 s.
Mon Jul 04 16:48:39.955 CEST 2022: Initial check warning: SR is not equal to zero; this might not be intended!
Mon Jul 04 16:48:39.958 CEST 2022: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon Jul 04 16:48:39.961 CEST 2022: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon Jul 04 16:48:39.964 CEST 2022: Spectrum is not 13C decoupled.
Mon Jul 04 16:48:39.966 CEST 2022: Spectrum does not contain ERETIC signal.
Mon Jul 04 16:48:39.969 CEST 2022: Spectrum is suppressed.
Mon Jul 04 16:48:39.972 CEST 2022: Elapsed time for evaluation (SPT Suite): 0.01 s.
Mon Jul 04 16:48:39.977 CEST 2022: Suppression frequencies at: 4.654 
Mon Jul 04 16:48:39.979 CEST 2022: Elapsed time for evaluation (SFF Suite): 0.00 s.
Mon Jul 04 16:48:39.982 CEST 2022: Expected impurity: TMS
Mon Jul 04 16:48:39.985 CEST 2022: Expected impurity: DMSO_D5
Mon Jul 04 16:48:39.987 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 16:48:39.990 CEST 2022: Elapsed time for evaluation (IMR Suite): 0.01 s.
Mon Jul 04 16:48:39.992 CEST 2022: RMSD noise: 29211538.942 (12.668/12.168)
Mon Jul 04 16:48:39.995 CEST 2022: Elapsed time for evaluation (ND Suite): 0.00 s.
Mon Jul 04 16:48:39.997 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon Jul 04 16:48:40.001 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon Jul 04 16:48:40.025 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.02 s.
Mon Jul 04 16:48:40.119 CEST 2022: Number of Peaks: (66, 19)
Mon Jul 04 16:48:40.122 CEST 2022: Elapsed time for evaluation (PP Suite): 0.09 s.
Mon Jul 04 16:48:40.125 CEST 2022: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon Jul 04 16:48:40.139 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.01 s.
Mon Jul 04 16:48:40.142 CEST 2022: Signal-to-Noise ratio: 600.74 (2.825 ppm)
Mon Jul 04 16:48:40.145 CEST 2022: Elapsed time for evaluation (SND Suite): 0.00 s.
Mon Jul 04 16:48:40.148 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:48:40.151 CEST 2022: Elapsed time for evaluation (PRE Suite): 0.20 s.
Mon Jul 04 16:48:40.176 CEST 2022: Number of Multiplets: 122
Mon Jul 04 16:48:40.198 CEST 2022: Elapsed time for evaluation (MMG Suite): 0.05 s.
Mon Jul 04 16:48:40.236 CEST 2022: Number of Peak Cluster: 19
Mon Jul 04 16:48:40.242 CEST 2022: Elapsed time for evaluation (PCG Suite): 0.04 s.
Mon Jul 04 16:48:40.249 CEST 2022: Elapsed time for evaluation (IMSO Suite): 0.00 s.
Mon Jul 04 16:48:40.401 CEST 2022: Elapsed time for evaluation (SMOOTH Suite): 0.15 s.
Mon Jul 04 16:48:40.407 CEST 2022: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Mon Jul 04 16:48:40.411 CEST 2022: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon Jul 04 16:48:40.415 CEST 2022: Number of consistent PNS: 5
Mon Jul 04 16:48:40.418 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.00 s.
Mon Jul 04 16:48:40.423 CEST 2022: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon Jul 04 16:48:40.440 CEST 2022: Elapsed time for evaluation (ASSIGN Suite): 0.01 s.
Mon Jul 04 16:48:40.887 CEST 2022: Elapsed time for evaluation (IN Suite): 0.44 s.
Mon Jul 04 16:48:40.937 CEST 2022: CMC-assist project state: AutoConsistent
Mon Jul 04 16:48:41.296 CEST 2022: Elapsed time for evaluation (FIN Suite): 0.41 s.
Mon Jul 04 16:48:41.299 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:48:41.302 CEST 2022: CMC-q finished in 1.62 s.
