Tue Jul 05 12:15:28.785 CEST 2022: Starting CMC-q package (b:17) with command cmcq assistant analysis
Tue Jul 05 12:15:28.787 CEST 2022: Analysing data set: E:\TopSpin4.0.8\data\EU_Openscreen\CMCq\CMCq\nmr\Consistent\E8_EUOS_Plate10_E8\1\pdata\1
Tue Jul 05 12:15:28.795 CEST 2022: Solvent of PROTON is unknown - set to: POLYSOLV
Tue Jul 05 12:15:28.798 CEST 2022: TD: 32768 SI: 65536 SW: 13.663
Tue Jul 05 12:15:28.801 CEST 2022: PT/PPM: 4796.3850 PT/Hz: 7.9953
Tue Jul 05 12:15:28.851 CEST 2022: No HSQC data available
Tue Jul 05 12:15:28.862 CEST 2022: No C13 data available
Tue Jul 05 12:15:28.872 CEST 2022: No HMBC data available
Tue Jul 05 12:15:28.880 CEST 2022: Elapsed time for evaluation (XD Suite): 0.01 s.
Tue Jul 05 12:15:28.901 CEST 2022: Elapsed time for evaluation (SPD Suite): 0.02 s.
Tue Jul 05 12:15:28.996 CEST 2022: Structure is used: true
Tue Jul 05 12:15:29.014 CEST 2022: MOL-File E:/TopSpin4.0.8/data/EU_Openscreen/CMCq/CMCq/nmr/Consistent/E8_EUOS_Plate10_E8/1/E8_EUOS_Plate10_E8-bff0bb80-59ce-4dbe-9970-b3cc0eb5ea91.mol
Tue Jul 05 12:15:29.016 CEST 2022: Elapsed time for evaluation (STD Suite - BCH): 0.11 s.
Tue Jul 05 12:15:29.052 CEST 2022: Initial check warning: SR is not equal to zero; this might not be intended!
Tue Jul 05 12:15:29.055 CEST 2022: Elapsed time for evaluation (ICH Suite): 0.04 s.
Tue Jul 05 12:15:29.058 CEST 2022: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Tue Jul 05 12:15:29.061 CEST 2022: Spectrum is not 13C decoupled.
Tue Jul 05 12:15:29.063 CEST 2022: Spectrum does not contain ERETIC signal.
Tue Jul 05 12:15:29.065 CEST 2022: Spectrum is suppressed.
Tue Jul 05 12:15:29.067 CEST 2022: Elapsed time for evaluation (SPT Suite): 0.01 s.
Tue Jul 05 12:15:29.072 CEST 2022: Suppression frequencies at: 4.661 
Tue Jul 05 12:15:29.074 CEST 2022: Elapsed time for evaluation (SFF Suite): 0.00 s.
Tue Jul 05 12:15:29.078 CEST 2022: Expected impurity: TMS
Tue Jul 05 12:15:29.080 CEST 2022: Expected impurity: DMSO_D5
Tue Jul 05 12:15:29.082 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]
Tue Jul 05 12:15:29.084 CEST 2022: Expected impurity: CustomImpurity [isActive=true, identifier=DSS, protonShiftLimitAPpm=-0.5, protonShiftLimitBPpm=0.1, protonMultiplicity=other, protonCouplingHz=[], protonNumber=0, carbonShiftLimitAPpm=-100.0, carbonShiftLimitBPpm=-100.0, carbonNumber=0]
Tue Jul 05 12:15:29.086 CEST 2022: Elapsed time for evaluation (IMR Suite): 0.01 s.
Tue Jul 05 12:15:29.089 CEST 2022: RMSD noise: 17463696.275 (-1.670/-2.170)
Tue Jul 05 12:15:29.091 CEST 2022: Elapsed time for evaluation (ND Suite): 0.00 s.
Tue Jul 05 12:15:29.094 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Tue Jul 05 12:15:29.098 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.00 s.
Tue Jul 05 12:15:29.123 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.02 s.
Tue Jul 05 12:15:29.217 CEST 2022: Number of Peaks: (82, 6)
Tue Jul 05 12:15:29.220 CEST 2022: Elapsed time for evaluation (PP Suite): 0.09 s.
Tue Jul 05 12:15:29.222 CEST 2022: Elapsed time for evaluation (EPF Suite): 0.00 s.
Tue Jul 05 12:15:29.236 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.01 s.
Tue Jul 05 12:15:29.239 CEST 2022: Signal-to-Noise ratio: 4624.66 (3.727 ppm)
Tue Jul 05 12:15:29.242 CEST 2022: Elapsed time for evaluation (SND Suite): 0.00 s.
Tue Jul 05 12:15:29.244 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Tue Jul 05 12:15:29.247 CEST 2022: Elapsed time for evaluation (PRE Suite): 0.23 s.
Tue Jul 05 12:15:29.269 CEST 2022: Number of Multiplets: 136
Tue Jul 05 12:15:29.272 CEST 2022: Elapsed time for evaluation (MMG Suite): 0.02 s.
Tue Jul 05 12:15:29.319 CEST 2022: Number of Peak Cluster: 25
Tue Jul 05 12:15:29.325 CEST 2022: Elapsed time for evaluation (PCG Suite): 0.05 s.
Tue Jul 05 12:15:29.350 CEST 2022: Elapsed time for evaluation (IMSO Suite): 0.02 s.
Tue Jul 05 12:15:29.499 CEST 2022: Elapsed time for evaluation (SMOOTH Suite): 0.15 s.
Tue Jul 05 12:15:29.509 CEST 2022: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.01 s.
Tue Jul 05 12:15:29.513 CEST 2022: Elapsed time for evaluation (PE Suite): 0.00 s.
Tue Jul 05 12:15:29.517 CEST 2022: Number of consistent PNS: 4
Tue Jul 05 12:15:29.519 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.00 s.
Tue Jul 05 12:15:29.522 CEST 2022: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Tue Jul 05 12:15:29.537 CEST 2022: Elapsed time for evaluation (ASSIGN Suite): 0.01 s.
Tue Jul 05 12:15:29.650 CEST 2022: Elapsed time for evaluation (IN Suite): 0.11 s.
Tue Jul 05 12:15:29.703 CEST 2022: CMC-assist project state: AutoConsistent
Tue Jul 05 12:15:29.707 CEST 2022: Impurity 13C satellite filter active!
Tue Jul 05 12:15:30.074 CEST 2022: Elapsed time for evaluation (FIN Suite): 0.42 s.
Tue Jul 05 12:15:30.077 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Tue Jul 05 12:15:30.080 CEST 2022: CMC-q finished in 1.29 s.
