Mon Jul 04 16:26:26.491 CEST 2022: Starting CMC-q package (b:17) with command cmcq assistant analysis
Mon Jul 04 16:26:26.494 CEST 2022: Analysing data set: E:\TopSpin4.0.8\data\EU_Openscreen\CMCq\CMCq\nmr\Consistent\B6_OS_Plate012_B6\1\pdata\1
Mon Jul 04 16:26:26.502 CEST 2022: Solvent of PROTON is unknown - set to: POLYSOLV
Mon Jul 04 16:26:26.505 CEST 2022: TD: 32768 SI: 65536 SW: 16.028
Mon Jul 04 16:26:26.508 CEST 2022: PT/PPM: 4088.7212 PT/Hz: 6.8157
Mon Jul 04 16:26:26.543 CEST 2022: No HSQC data available
Mon Jul 04 16:26:26.555 CEST 2022: No C13 data available
Mon Jul 04 16:26:26.566 CEST 2022: No HMBC data available
Mon Jul 04 16:26:26.598 CEST 2022: Elapsed time for evaluation (XD Suite): 0.03 s.
Mon Jul 04 16:26:26.620 CEST 2022: Elapsed time for evaluation (SPD Suite): 0.02 s.
Mon Jul 04 16:26:26.712 CEST 2022: Structure is used: true
Mon Jul 04 16:26:26.715 CEST 2022: MOL-File E:/TopSpin4.0.8/data/EU_Openscreen/CMCq/CMCq/nmr/Consistent/B6_OS_Plate012_B6/1/B6_OS_Plate12_B6-64abfb5e-84ea-467e-9311-15d79441ccc3.mol
Mon Jul 04 16:26:26.718 CEST 2022: Elapsed time for evaluation (STD Suite - BCH): 0.09 s.
Mon Jul 04 16:26:26.728 CEST 2022: Initial check warning: SR is not equal to zero; this might not be intended!
Mon Jul 04 16:26:26.731 CEST 2022: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon Jul 04 16:26:26.734 CEST 2022: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon Jul 04 16:26:26.737 CEST 2022: Spectrum is not 13C decoupled.
Mon Jul 04 16:26:26.739 CEST 2022: Spectrum does not contain ERETIC signal.
Mon Jul 04 16:26:26.741 CEST 2022: Spectrum is suppressed.
Mon Jul 04 16:26:26.744 CEST 2022: Elapsed time for evaluation (SPT Suite): 0.01 s.
Mon Jul 04 16:26:26.749 CEST 2022: Suppression frequencies at: 4.654 
Mon Jul 04 16:26:26.751 CEST 2022: Elapsed time for evaluation (SFF Suite): 0.00 s.
Mon Jul 04 16:26:26.754 CEST 2022: Expected impurity: TMS
Mon Jul 04 16:26:26.757 CEST 2022: Expected impurity: DMSO_D5
Mon Jul 04 16:26:26.759 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 16:26:26.761 CEST 2022: Elapsed time for evaluation (IMR Suite): 0.01 s.
Mon Jul 04 16:26:26.764 CEST 2022: RMSD noise: 29541258.461 (11.851/11.352)
Mon Jul 04 16:26:26.766 CEST 2022: Elapsed time for evaluation (ND Suite): 0.00 s.
Mon Jul 04 16:26:26.769 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon Jul 04 16:26:26.772 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon Jul 04 16:26:26.797 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.02 s.
Mon Jul 04 16:26:26.887 CEST 2022: Number of Peaks: (78, 11)
Mon Jul 04 16:26:26.890 CEST 2022: Elapsed time for evaluation (PP Suite): 0.09 s.
Mon Jul 04 16:26:26.893 CEST 2022: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon Jul 04 16:26:26.944 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.05 s.
Mon Jul 04 16:26:26.947 CEST 2022: Signal-to-Noise ratio: 8032.99 (1.650 ppm)
Mon Jul 04 16:26:26.950 CEST 2022: Elapsed time for evaluation (SND Suite): 0.00 s.
Mon Jul 04 16:26:26.952 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:26:26.955 CEST 2022: Elapsed time for evaluation (PRE Suite): 0.23 s.
Mon Jul 04 16:26:26.972 CEST 2022: Number of Multiplets: 100
Mon Jul 04 16:26:26.975 CEST 2022: Elapsed time for evaluation (MMG Suite): 0.02 s.
Mon Jul 04 16:26:27.016 CEST 2022: Number of Peak Cluster: 25
Mon Jul 04 16:26:27.023 CEST 2022: Elapsed time for evaluation (PCG Suite): 0.05 s.
Mon Jul 04 16:26:27.034 CEST 2022: Elapsed time for evaluation (IMSO Suite): 0.01 s.
Mon Jul 04 16:26:27.181 CEST 2022: Elapsed time for evaluation (SMOOTH Suite): 0.14 s.
Mon Jul 04 16:26:27.214 CEST 2022: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.01 s.
Mon Jul 04 16:26:27.219 CEST 2022: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon Jul 04 16:26:27.223 CEST 2022: Number of consistent PNS: 2
Mon Jul 04 16:26:27.225 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.00 s.
Mon Jul 04 16:26:27.228 CEST 2022: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon Jul 04 16:26:27.233 CEST 2022: Elapsed time for evaluation (ASSIGN Suite): 0.00 s.
Mon Jul 04 16:26:27.244 CEST 2022: Elapsed time for evaluation (IN Suite): 0.01 s.
Mon Jul 04 16:26:27.294 CEST 2022: CMC-assist project state: AutoConsistent
Mon Jul 04 16:26:27.656 CEST 2022: Elapsed time for evaluation (FIN Suite): 0.41 s.
Mon Jul 04 16:26:27.659 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:26:27.661 CEST 2022: CMC-q finished in 1.17 s.
