Mon Jul 04 16:35:33.080 CEST 2022: Starting CMC-q package (b:17) with command cmcq assistant analysis
Mon Jul 04 16:35:33.083 CEST 2022: Analysing data set: E:\TopSpin4.0.8\data\EU_Openscreen\CMCq\CMCq\nmr\Consistent\C5_OS_Plate03_C5\1\pdata\1
Mon Jul 04 16:35:33.090 CEST 2022: Solvent of PROTON is unknown - set to: POLYSOLV
Mon Jul 04 16:35:33.095 CEST 2022: TD: 32768 SI: 65536 SW: 16.028
Mon Jul 04 16:35:33.097 CEST 2022: PT/PPM: 4088.7212 PT/Hz: 6.8157
Mon Jul 04 16:35:33.463 CEST 2022: No HSQC data available
Mon Jul 04 16:35:33.474 CEST 2022: No C13 data available
Mon Jul 04 16:35:33.484 CEST 2022: No HMBC data available
Mon Jul 04 16:35:33.492 CEST 2022: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon Jul 04 16:35:33.662 CEST 2022: Elapsed time for evaluation (SPD Suite): 0.17 s.
Mon Jul 04 16:35:33.773 CEST 2022: Structure is used: true
Mon Jul 04 16:35:33.776 CEST 2022: MOL-File E:/TopSpin4.0.8/data/EU_Openscreen/CMCq/CMCq/nmr/Consistent/C5_OS_Plate03_C5/1/C5_OS_Plate03_C5-8e46d18f-1b2e-451f-8866-95d98030d24a.mol
Mon Jul 04 16:35:33.779 CEST 2022: Elapsed time for evaluation (STD Suite - BCH): 0.11 s.
Mon Jul 04 16:35:33.798 CEST 2022: Initial check warning: SR is not equal to zero; this might not be intended!
Mon Jul 04 16:35:33.801 CEST 2022: Elapsed time for evaluation (ICH Suite): 0.02 s.
Mon Jul 04 16:35:33.804 CEST 2022: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon Jul 04 16:35:33.807 CEST 2022: Spectrum is not 13C decoupled.
Mon Jul 04 16:35:33.809 CEST 2022: Spectrum does not contain ERETIC signal.
Mon Jul 04 16:35:33.812 CEST 2022: Spectrum is suppressed.
Mon Jul 04 16:35:33.814 CEST 2022: Elapsed time for evaluation (SPT Suite): 0.01 s.
Mon Jul 04 16:35:33.819 CEST 2022: Suppression frequencies at: 4.654 
Mon Jul 04 16:35:33.822 CEST 2022: Elapsed time for evaluation (SFF Suite): 0.01 s.
Mon Jul 04 16:35:33.825 CEST 2022: Expected impurity: TMS
Mon Jul 04 16:35:33.828 CEST 2022: Expected impurity: DMSO_D5
Mon Jul 04 16:35:33.830 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 16:35:33.833 CEST 2022: Elapsed time for evaluation (IMR Suite): 0.01 s.
Mon Jul 04 16:35:33.835 CEST 2022: RMSD noise: 28827281.223 (-2.860/-3.359)
Mon Jul 04 16:35:33.838 CEST 2022: Elapsed time for evaluation (ND Suite): 0.00 s.
Mon Jul 04 16:35:33.841 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon Jul 04 16:35:33.845 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon Jul 04 16:35:33.869 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.02 s.
Mon Jul 04 16:35:33.943 CEST 2022: Number of Peaks: (56, 7)
Mon Jul 04 16:35:33.958 CEST 2022: Elapsed time for evaluation (PP Suite): 0.09 s.
Mon Jul 04 16:35:33.960 CEST 2022: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon Jul 04 16:35:33.974 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.01 s.
Mon Jul 04 16:35:33.977 CEST 2022: Signal-to-Noise ratio: 1514.93 (6.120 ppm)
Mon Jul 04 16:35:33.980 CEST 2022: Elapsed time for evaluation (SND Suite): 0.00 s.
Mon Jul 04 16:35:33.983 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:35:33.985 CEST 2022: Elapsed time for evaluation (PRE Suite): 0.20 s.
Mon Jul 04 16:35:33.997 CEST 2022: Number of Multiplets: 82
Mon Jul 04 16:35:34.000 CEST 2022: Elapsed time for evaluation (MMG Suite): 0.01 s.
Mon Jul 04 16:35:34.041 CEST 2022: Number of Peak Cluster: 27
Mon Jul 04 16:35:34.047 CEST 2022: Elapsed time for evaluation (PCG Suite): 0.04 s.
Mon Jul 04 16:35:34.060 CEST 2022: Elapsed time for evaluation (IMSO Suite): 0.01 s.
Mon Jul 04 16:35:34.183 CEST 2022: Elapsed time for evaluation (SMOOTH Suite): 0.12 s.
Mon Jul 04 16:35:34.188 CEST 2022: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Mon Jul 04 16:35:34.192 CEST 2022: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon Jul 04 16:35:34.196 CEST 2022: Number of consistent PNS: 1
Mon Jul 04 16:35:34.198 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.00 s.
Mon Jul 04 16:35:34.201 CEST 2022: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon Jul 04 16:35:34.208 CEST 2022: Elapsed time for evaluation (ASSIGN Suite): 0.00 s.
Mon Jul 04 16:35:34.229 CEST 2022: Elapsed time for evaluation (IN Suite): 0.02 s.
Mon Jul 04 16:35:34.279 CEST 2022: CMC-assist project state: AutoConsistent
Mon Jul 04 16:35:34.637 CEST 2022: Elapsed time for evaluation (FIN Suite): 0.41 s.
Mon Jul 04 16:35:34.640 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:35:34.643 CEST 2022: CMC-q finished in 1.56 s.
