Mon Jul 04 16:48:15.622 CEST 2022: Starting CMC-q package (b:17) with command cmcq assistant analysis
Mon Jul 04 16:48:15.625 CEST 2022: Analysing data set: E:\TopSpin4.0.8\data\EU_Openscreen\CMCq\CMCq\nmr\Consistent\D7_OS_Plate05_D7\1\pdata\1
Mon Jul 04 16:48:15.632 CEST 2022: Solvent of PROTON is unknown - set to: POLYSOLV
Mon Jul 04 16:48:15.636 CEST 2022: TD: 32768 SI: 65536 SW: 16.028
Mon Jul 04 16:48:15.639 CEST 2022: PT/PPM: 4088.7212 PT/Hz: 6.8157
Mon Jul 04 16:48:15.683 CEST 2022: No HSQC data available
Mon Jul 04 16:48:15.695 CEST 2022: No C13 data available
Mon Jul 04 16:48:15.707 CEST 2022: No HMBC data available
Mon Jul 04 16:48:15.756 CEST 2022: Elapsed time for evaluation (XD Suite): 0.05 s.
Mon Jul 04 16:48:15.782 CEST 2022: Elapsed time for evaluation (SPD Suite): 0.02 s.
Mon Jul 04 16:48:15.866 CEST 2022: Structure is used: true
Mon Jul 04 16:48:15.886 CEST 2022: MOL-File E:/TopSpin4.0.8/data/EU_Openscreen/CMCq/CMCq/nmr/Consistent/D7_OS_Plate05_D7/1/7_OS_Plate05_D7.mol
Mon Jul 04 16:48:15.889 CEST 2022: Elapsed time for evaluation (STD Suite - BCH): 0.10 s.
Mon Jul 04 16:48:15.900 CEST 2022: Initial check warning: SR is not equal to zero; this might not be intended!
Mon Jul 04 16:48:15.903 CEST 2022: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon Jul 04 16:48:15.906 CEST 2022: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon Jul 04 16:48:15.908 CEST 2022: Spectrum is not 13C decoupled.
Mon Jul 04 16:48:15.911 CEST 2022: Spectrum does not contain ERETIC signal.
Mon Jul 04 16:48:15.913 CEST 2022: Spectrum is suppressed.
Mon Jul 04 16:48:15.915 CEST 2022: Elapsed time for evaluation (SPT Suite): 0.01 s.
Mon Jul 04 16:48:15.920 CEST 2022: Suppression frequencies at: 4.654 
Mon Jul 04 16:48:15.922 CEST 2022: Elapsed time for evaluation (SFF Suite): 0.00 s.
Mon Jul 04 16:48:15.925 CEST 2022: Expected impurity: TMS
Mon Jul 04 16:48:15.928 CEST 2022: Expected impurity: DMSO_D5
Mon Jul 04 16:48:15.930 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 16:48:15.932 CEST 2022: Elapsed time for evaluation (IMR Suite): 0.01 s.
Mon Jul 04 16:48:15.935 CEST 2022: RMSD noise: 29781715.884 (-1.223/-1.722)
Mon Jul 04 16:48:15.937 CEST 2022: Elapsed time for evaluation (ND Suite): 0.00 s.
Mon Jul 04 16:48:15.940 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon Jul 04 16:48:15.944 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon Jul 04 16:48:15.967 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.02 s.
Mon Jul 04 16:48:16.061 CEST 2022: Number of Peaks: (93, 6)
Mon Jul 04 16:48:16.064 CEST 2022: Elapsed time for evaluation (PP Suite): 0.09 s.
Mon Jul 04 16:48:16.067 CEST 2022: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon Jul 04 16:48:16.080 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.01 s.
Mon Jul 04 16:48:16.083 CEST 2022: Signal-to-Noise ratio: 2201.17 (1.107 ppm)
Mon Jul 04 16:48:16.086 CEST 2022: Elapsed time for evaluation (SND Suite): 0.00 s.
Mon Jul 04 16:48:16.088 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:48:16.090 CEST 2022: Elapsed time for evaluation (PRE Suite): 0.20 s.
Mon Jul 04 16:48:16.107 CEST 2022: Number of Multiplets: 105
Mon Jul 04 16:48:16.110 CEST 2022: Elapsed time for evaluation (MMG Suite): 0.02 s.
Mon Jul 04 16:48:16.164 CEST 2022: Number of Peak Cluster: 35
Mon Jul 04 16:48:16.170 CEST 2022: Elapsed time for evaluation (PCG Suite): 0.06 s.
Mon Jul 04 16:48:16.177 CEST 2022: Elapsed time for evaluation (IMSO Suite): 0.00 s.
Mon Jul 04 16:48:16.332 CEST 2022: Elapsed time for evaluation (SMOOTH Suite): 0.15 s.
Mon Jul 04 16:48:16.336 CEST 2022: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Mon Jul 04 16:48:16.342 CEST 2022: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon Jul 04 16:48:16.345 CEST 2022: Number of consistent PNS: 0
Mon Jul 04 16:48:16.348 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.00 s.
Mon Jul 04 16:48:16.353 CEST 2022: Number of consistent PNS: 30
Mon Jul 04 16:48:16.355 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.00 s.
Mon Jul 04 16:48:16.360 CEST 2022: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon Jul 04 16:48:16.363 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:48:16.790 CEST 2022: Elapsed time for evaluation (BU Suite): 0.44 s.
Mon Jul 04 16:48:16.837 CEST 2022: CMC-assist project state: AutoInconsistent
Mon Jul 04 16:48:16.840 CEST 2022: INCONSISTENT: No or only invalid ProtonNumberSolutions.
Mon Jul 04 16:48:17.181 CEST 2022: Elapsed time for evaluation (FIN Suite): 0.39 s.
Mon Jul 04 16:48:17.184 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:48:17.186 CEST 2022: CMC-q finished in 1.56 s.
