Mon Jul 04 16:11:24.287 CEST 2022: Starting CMC-q package (b:17) with command cmcq assistant analysis
Mon Jul 04 16:11:24.290 CEST 2022: Analysing data set: E:\TopSpin4.0.8\data\EU_Openscreen\CMCq\CMCq\nmr\Consistent\H4_OS_Plate01_H4\1\pdata\1
Mon Jul 04 16:11:24.298 CEST 2022: Solvent of PROTON is unknown - set to: POLYSOLV
Mon Jul 04 16:11:24.302 CEST 2022: TD: 32768 SI: 65536 SW: 16.028
Mon Jul 04 16:11:24.305 CEST 2022: PT/PPM: 4088.7212 PT/Hz: 6.8157
Mon Jul 04 16:11:24.471 CEST 2022: No HSQC data available
Mon Jul 04 16:11:24.483 CEST 2022: No C13 data available
Mon Jul 04 16:11:24.496 CEST 2022: No HMBC data available
Mon Jul 04 16:11:24.503 CEST 2022: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon Jul 04 16:11:24.520 CEST 2022: Elapsed time for evaluation (SPD Suite): 0.01 s.
Mon Jul 04 16:11:24.663 CEST 2022: Structure is used: true
Mon Jul 04 16:11:24.666 CEST 2022: MOL-File E:/TopSpin4.0.8/data/EU_Openscreen/CMCq/CMCq/nmr/Consistent/H4_OS_Plate01_H4/1/H4_OS_Plate1_H4-7cd54b0b-eb73-4605-a45a-7c86bbe547ea.mol
Mon Jul 04 16:11:24.669 CEST 2022: Elapsed time for evaluation (STD Suite - BCH): 0.15 s.
Mon Jul 04 16:11:24.675 CEST 2022: Initial check warning: SR is not equal to zero; this might not be intended!
Mon Jul 04 16:11:24.678 CEST 2022: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon Jul 04 16:11:24.741 CEST 2022: Elapsed time for evaluation (EFCH Suite): 0.06 s.
Mon Jul 04 16:11:24.744 CEST 2022: Spectrum is not 13C decoupled.
Mon Jul 04 16:11:24.746 CEST 2022: Spectrum does not contain ERETIC signal.
Mon Jul 04 16:11:24.749 CEST 2022: Spectrum is suppressed.
Mon Jul 04 16:11:24.751 CEST 2022: Elapsed time for evaluation (SPT Suite): 0.01 s.
Mon Jul 04 16:11:24.755 CEST 2022: Suppression frequencies at: 4.654 
Mon Jul 04 16:11:24.758 CEST 2022: Elapsed time for evaluation (SFF Suite): 0.00 s.
Mon Jul 04 16:11:24.760 CEST 2022: Expected impurity: TMS
Mon Jul 04 16:11:24.763 CEST 2022: Expected impurity: DMSO_D5
Mon Jul 04 16:11:24.765 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 16:11:24.767 CEST 2022: Elapsed time for evaluation (IMR Suite): 0.01 s.
Mon Jul 04 16:11:24.770 CEST 2022: RMSD noise: 34677798.572 (6.949/6.449)
Mon Jul 04 16:11:24.772 CEST 2022: Elapsed time for evaluation (ND Suite): 0.00 s.
Mon Jul 04 16:11:24.775 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon Jul 04 16:11:24.779 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon Jul 04 16:11:24.803 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.02 s.
Mon Jul 04 16:11:24.912 CEST 2022: Number of Peaks: (103, 12)
Mon Jul 04 16:11:24.933 CEST 2022: Elapsed time for evaluation (PP Suite): 0.13 s.
Mon Jul 04 16:11:24.935 CEST 2022: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon Jul 04 16:11:25.029 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.09 s.
Mon Jul 04 16:11:25.032 CEST 2022: Signal-to-Noise ratio: 7902.21 (1.075 ppm)
Mon Jul 04 16:11:25.035 CEST 2022: Elapsed time for evaluation (SND Suite): 0.00 s.
Mon Jul 04 16:11:25.037 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:11:25.039 CEST 2022: Elapsed time for evaluation (PRE Suite): 0.37 s.
Mon Jul 04 16:11:25.061 CEST 2022: Number of Multiplets: 141
Mon Jul 04 16:11:25.063 CEST 2022: Elapsed time for evaluation (MMG Suite): 0.02 s.
Mon Jul 04 16:11:25.125 CEST 2022: Number of Peak Cluster: 36
Mon Jul 04 16:11:25.131 CEST 2022: Elapsed time for evaluation (PCG Suite): 0.07 s.
Mon Jul 04 16:11:25.142 CEST 2022: Elapsed time for evaluation (IMSO Suite): 0.01 s.
Mon Jul 04 16:11:25.312 CEST 2022: Elapsed time for evaluation (SMOOTH Suite): 0.17 s.
Mon Jul 04 16:11:25.319 CEST 2022: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Mon Jul 04 16:11:25.324 CEST 2022: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon Jul 04 16:11:25.329 CEST 2022: Number of consistent PNS: 4
Mon Jul 04 16:11:25.331 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.00 s.
Mon Jul 04 16:11:25.334 CEST 2022: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon Jul 04 16:11:25.396 CEST 2022: Elapsed time for evaluation (ASSIGN Suite): 0.06 s.
Mon Jul 04 16:11:25.513 CEST 2022: Elapsed time for evaluation (IN Suite): 0.11 s.
Mon Jul 04 16:11:25.597 CEST 2022: CMC-assist project state: AutoConsistent
Mon Jul 04 16:11:25.600 CEST 2022: Impurity 13C satellite filter active!
Mon Jul 04 16:11:26.710 CEST 2022: Elapsed time for evaluation (FIN Suite): 1.19 s.
Mon Jul 04 16:11:26.713 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:11:26.716 CEST 2022: CMC-q finished in 2.43 s.
