Mon Jul 04 16:48:09.732 CEST 2022: Starting CMC-q package (b:17) with command cmcq assistant analysis
Mon Jul 04 16:48:09.735 CEST 2022: Analysing data set: E:\TopSpin4.0.8\data\EU_Openscreen\CMCq\CMCq\nmr\Consistent\H6_OS_Plate05_H6\1\pdata\1
Mon Jul 04 16:48:09.743 CEST 2022: Solvent of PROTON is unknown - set to: POLYSOLV
Mon Jul 04 16:48:09.746 CEST 2022: TD: 32768 SI: 65536 SW: 16.028
Mon Jul 04 16:48:09.749 CEST 2022: PT/PPM: 4088.7212 PT/Hz: 6.8157
Mon Jul 04 16:48:09.782 CEST 2022: No HSQC data available
Mon Jul 04 16:48:09.795 CEST 2022: No C13 data available
Mon Jul 04 16:48:09.808 CEST 2022: No HMBC data available
Mon Jul 04 16:48:09.815 CEST 2022: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon Jul 04 16:48:09.832 CEST 2022: Elapsed time for evaluation (SPD Suite): 0.01 s.
Mon Jul 04 16:48:09.940 CEST 2022: Structure is used: true
Mon Jul 04 16:48:09.943 CEST 2022: MOL-File E:/TopSpin4.0.8/data/EU_Openscreen/CMCq/CMCq/nmr/Consistent/H6_OS_Plate05_H6/1/6_OS_Plate05_H6.mol
Mon Jul 04 16:48:09.945 CEST 2022: Elapsed time for evaluation (STD Suite - BCH): 0.11 s.
Mon Jul 04 16:48:09.951 CEST 2022: Initial check warning: SR is not equal to zero; this might not be intended!
Mon Jul 04 16:48:09.954 CEST 2022: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon Jul 04 16:48:09.957 CEST 2022: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon Jul 04 16:48:09.959 CEST 2022: Spectrum is not 13C decoupled.
Mon Jul 04 16:48:09.961 CEST 2022: Spectrum does not contain ERETIC signal.
Mon Jul 04 16:48:09.964 CEST 2022: Spectrum is suppressed.
Mon Jul 04 16:48:09.966 CEST 2022: Elapsed time for evaluation (SPT Suite): 0.01 s.
Mon Jul 04 16:48:09.970 CEST 2022: Suppression frequencies at: 4.654 
Mon Jul 04 16:48:09.972 CEST 2022: Elapsed time for evaluation (SFF Suite): 0.00 s.
Mon Jul 04 16:48:09.975 CEST 2022: Expected impurity: TMS
Mon Jul 04 16:48:09.977 CEST 2022: Expected impurity: DMSO_D5
Mon Jul 04 16:48:09.980 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 16:48:09.983 CEST 2022: Elapsed time for evaluation (IMR Suite): 0.01 s.
Mon Jul 04 16:48:09.985 CEST 2022: RMSD noise: 29740218.201 (5.314/4.814)
Mon Jul 04 16:48:09.988 CEST 2022: Elapsed time for evaluation (ND Suite): 0.00 s.
Mon Jul 04 16:48:09.991 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon Jul 04 16:48:09.994 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon Jul 04 16:48:10.018 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.02 s.
Mon Jul 04 16:48:10.126 CEST 2022: Number of Peaks: (102, 13)
Mon Jul 04 16:48:10.147 CEST 2022: Elapsed time for evaluation (PP Suite): 0.13 s.
Mon Jul 04 16:48:10.150 CEST 2022: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon Jul 04 16:48:10.158 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.01 s.
Mon Jul 04 16:48:10.160 CEST 2022: Signal-to-Noise ratio: 15922.50 (2.881 ppm)
Mon Jul 04 16:48:10.163 CEST 2022: Elapsed time for evaluation (SND Suite): 0.00 s.
Mon Jul 04 16:48:10.165 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:48:10.168 CEST 2022: Elapsed time for evaluation (PRE Suite): 0.22 s.
Mon Jul 04 16:48:10.191 CEST 2022: Number of Multiplets: 163
Mon Jul 04 16:48:10.194 CEST 2022: Elapsed time for evaluation (MMG Suite): 0.02 s.
Mon Jul 04 16:48:10.265 CEST 2022: Number of Peak Cluster: 36
Mon Jul 04 16:48:10.270 CEST 2022: Elapsed time for evaluation (PCG Suite): 0.07 s.
Mon Jul 04 16:48:10.280 CEST 2022: Elapsed time for evaluation (IMSO Suite): 0.01 s.
Mon Jul 04 16:48:10.417 CEST 2022: Elapsed time for evaluation (SMOOTH Suite): 0.13 s.
Mon Jul 04 16:48:10.433 CEST 2022: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.01 s.
Mon Jul 04 16:48:10.439 CEST 2022: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon Jul 04 16:48:10.443 CEST 2022: Number of consistent PNS: 4
Mon Jul 04 16:48:10.445 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.00 s.
Mon Jul 04 16:48:10.448 CEST 2022: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon Jul 04 16:48:13.012 CEST 2022: Elapsed time for evaluation (ASSIGN Suite): 2.56 s.
Mon Jul 04 16:48:13.140 CEST 2022: Elapsed time for evaluation (IN Suite): 0.12 s.
Mon Jul 04 16:48:13.190 CEST 2022: CMC-assist project state: AutoConsistent
Mon Jul 04 16:48:13.539 CEST 2022: Elapsed time for evaluation (FIN Suite): 0.40 s.
Mon Jul 04 16:48:13.542 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:48:13.544 CEST 2022: CMC-q finished in 3.81 s.
