Mon Jul 04 16:46:13.493 CEST 2022: Starting CMC-q package (b:17) with command cmcq assistant analysis
Mon Jul 04 16:46:13.496 CEST 2022: Analysing data set: E:\TopSpin4.0.8\data\EU_Openscreen\CMCq\CMCq\nmr\Consistent\A3_OS_Plate05_A3\1\pdata\1
Mon Jul 04 16:46:13.504 CEST 2022: Solvent of PROTON is unknown - set to: POLYSOLV
Mon Jul 04 16:46:13.508 CEST 2022: TD: 32768 SI: 65536 SW: 16.028
Mon Jul 04 16:46:13.511 CEST 2022: PT/PPM: 4088.7212 PT/Hz: 6.8157
Mon Jul 04 16:46:13.585 CEST 2022: No HSQC data available
Mon Jul 04 16:46:13.598 CEST 2022: No C13 data available
Mon Jul 04 16:46:13.611 CEST 2022: No HMBC data available
Mon Jul 04 16:46:13.619 CEST 2022: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon Jul 04 16:46:13.640 CEST 2022: Elapsed time for evaluation (SPD Suite): 0.02 s.
Mon Jul 04 16:46:13.747 CEST 2022: Structure is used: true
Mon Jul 04 16:46:13.774 CEST 2022: MOL-File E:/TopSpin4.0.8/data/EU_Openscreen/CMCq/CMCq/nmr/Consistent/A3_OS_Plate05_A3/1/3_OS_Plate05_A3.mol
Mon Jul 04 16:46:13.777 CEST 2022: Elapsed time for evaluation (STD Suite - BCH): 0.13 s.
Mon Jul 04 16:46:13.790 CEST 2022: Initial check warning: SR is not equal to zero; this might not be intended!
Mon Jul 04 16:46:13.793 CEST 2022: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon Jul 04 16:46:13.796 CEST 2022: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon Jul 04 16:46:13.798 CEST 2022: Spectrum is not 13C decoupled.
Mon Jul 04 16:46:13.801 CEST 2022: Spectrum does not contain ERETIC signal.
Mon Jul 04 16:46:13.803 CEST 2022: Spectrum is suppressed.
Mon Jul 04 16:46:13.806 CEST 2022: Elapsed time for evaluation (SPT Suite): 0.01 s.
Mon Jul 04 16:46:13.811 CEST 2022: Suppression frequencies at: 4.654 
Mon Jul 04 16:46:13.814 CEST 2022: Elapsed time for evaluation (SFF Suite): 0.01 s.
Mon Jul 04 16:46:13.817 CEST 2022: Expected impurity: TMS
Mon Jul 04 16:46:13.820 CEST 2022: Expected impurity: DMSO_D5
Mon Jul 04 16:46:13.822 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 16:46:13.825 CEST 2022: Elapsed time for evaluation (IMR Suite): 0.01 s.
Mon Jul 04 16:46:13.827 CEST 2022: RMSD noise: 30418593.470 (5.314/4.814)
Mon Jul 04 16:46:13.830 CEST 2022: Elapsed time for evaluation (ND Suite): 0.00 s.
Mon Jul 04 16:46:13.833 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon Jul 04 16:46:13.837 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon Jul 04 16:46:13.861 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.02 s.
Mon Jul 04 16:46:13.946 CEST 2022: Number of Peaks: (78, 19)
Mon Jul 04 16:46:13.949 CEST 2022: Elapsed time for evaluation (PP Suite): 0.09 s.
Mon Jul 04 16:46:13.952 CEST 2022: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon Jul 04 16:46:13.997 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.04 s.
Mon Jul 04 16:46:14.000 CEST 2022: Signal-to-Noise ratio: 2942.82 (2.810 ppm)
Mon Jul 04 16:46:14.003 CEST 2022: Elapsed time for evaluation (SND Suite): 0.00 s.
Mon Jul 04 16:46:14.005 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:46:14.008 CEST 2022: Elapsed time for evaluation (PRE Suite): 0.23 s.
Mon Jul 04 16:46:14.036 CEST 2022: Number of Multiplets: 171
Mon Jul 04 16:46:14.039 CEST 2022: Elapsed time for evaluation (MMG Suite): 0.03 s.
Mon Jul 04 16:46:14.093 CEST 2022: Number of Peak Cluster: 29
Mon Jul 04 16:46:14.099 CEST 2022: Elapsed time for evaluation (PCG Suite): 0.06 s.
Mon Jul 04 16:46:14.114 CEST 2022: Elapsed time for evaluation (IMSO Suite): 0.01 s.
Mon Jul 04 16:46:14.245 CEST 2022: Elapsed time for evaluation (SMOOTH Suite): 0.13 s.
Mon Jul 04 16:46:14.261 CEST 2022: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Mon Jul 04 16:46:14.266 CEST 2022: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon Jul 04 16:46:14.269 CEST 2022: Number of consistent PNS: 2
Mon Jul 04 16:46:14.272 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.00 s.
Mon Jul 04 16:46:14.277 CEST 2022: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon Jul 04 16:46:14.294 CEST 2022: Elapsed time for evaluation (ASSIGN Suite): 0.01 s.
Mon Jul 04 16:46:14.495 CEST 2022: Elapsed time for evaluation (IN Suite): 0.20 s.
Mon Jul 04 16:46:14.550 CEST 2022: CMC-assist project state: AutoConsistent
Mon Jul 04 16:46:14.909 CEST 2022: Elapsed time for evaluation (FIN Suite): 0.41 s.
Mon Jul 04 16:46:14.912 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:46:14.915 CEST 2022: CMC-q finished in 1.42 s.
