Tue Jul 05 12:11:50.759 CEST 2022: Starting CMC-q package (b:17) with command cmcq assistant analysis
Tue Jul 05 12:11:50.761 CEST 2022: Analysing data set: E:\TopSpin4.0.8\data\EU_Openscreen\CMCq\CMCq\nmr\Consistent\C1_EUOS_Plate10_C1\1\pdata\1
Tue Jul 05 12:11:50.769 CEST 2022: Solvent of PROTON is unknown - set to: POLYSOLV
Tue Jul 05 12:11:50.772 CEST 2022: TD: 32768 SI: 65536 SW: 13.663
Tue Jul 05 12:11:50.775 CEST 2022: PT/PPM: 4796.3850 PT/Hz: 7.9953
Tue Jul 05 12:11:50.808 CEST 2022: No HSQC data available
Tue Jul 05 12:11:50.820 CEST 2022: No C13 data available
Tue Jul 05 12:11:50.830 CEST 2022: No HMBC data available
Tue Jul 05 12:11:50.838 CEST 2022: Elapsed time for evaluation (XD Suite): 0.01 s.
Tue Jul 05 12:11:50.859 CEST 2022: Elapsed time for evaluation (SPD Suite): 0.02 s.
Tue Jul 05 12:11:50.943 CEST 2022: Structure is used: true
Tue Jul 05 12:11:50.961 CEST 2022: MOL-File E:/TopSpin4.0.8/data/EU_Openscreen/CMCq/CMCq/nmr/Consistent/C1_EUOS_Plate10_C1/1/C1_EUOS_Plate10_C1-7b317613-acf5-428a-8f21-e7f3736b67bf.mol
Tue Jul 05 12:11:50.963 CEST 2022: Elapsed time for evaluation (STD Suite - BCH): 0.10 s.
Tue Jul 05 12:11:50.976 CEST 2022: Initial check warning: SR is not equal to zero; this might not be intended!
Tue Jul 05 12:11:50.978 CEST 2022: Elapsed time for evaluation (ICH Suite): 0.01 s.
Tue Jul 05 12:11:50.981 CEST 2022: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Tue Jul 05 12:11:50.984 CEST 2022: Spectrum is not 13C decoupled.
Tue Jul 05 12:11:50.987 CEST 2022: Spectrum does not contain ERETIC signal.
Tue Jul 05 12:11:50.989 CEST 2022: Spectrum is suppressed.
Tue Jul 05 12:11:50.991 CEST 2022: Elapsed time for evaluation (SPT Suite): 0.01 s.
Tue Jul 05 12:11:50.996 CEST 2022: Suppression frequencies at: 4.661 
Tue Jul 05 12:11:50.999 CEST 2022: Elapsed time for evaluation (SFF Suite): 0.00 s.
Tue Jul 05 12:11:51.002 CEST 2022: Expected impurity: TMS
Tue Jul 05 12:11:51.005 CEST 2022: Expected impurity: DMSO_D5
Tue Jul 05 12:11:51.007 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 12:11:51.009 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 12:11:51.011 CEST 2022: Elapsed time for evaluation (IMR Suite): 0.01 s.
Tue Jul 05 12:11:51.013 CEST 2022: RMSD noise: 18150283.813 (-0.285/-0.785)
Tue Jul 05 12:11:51.015 CEST 2022: Elapsed time for evaluation (ND Suite): 0.00 s.
Tue Jul 05 12:11:51.018 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Tue Jul 05 12:11:51.022 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.00 s.
Tue Jul 05 12:11:51.047 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.02 s.
Tue Jul 05 12:11:51.140 CEST 2022: Number of Peaks: (84, 5)
Tue Jul 05 12:11:51.143 CEST 2022: Elapsed time for evaluation (PP Suite): 0.09 s.
Tue Jul 05 12:11:51.146 CEST 2022: Elapsed time for evaluation (EPF Suite): 0.00 s.
Tue Jul 05 12:11:51.172 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.02 s.
Tue Jul 05 12:11:51.175 CEST 2022: Signal-to-Noise ratio: 3942.73 (3.802 ppm)
Tue Jul 05 12:11:51.178 CEST 2022: Elapsed time for evaluation (SND Suite): 0.00 s.
Tue Jul 05 12:11:51.181 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Tue Jul 05 12:11:51.183 CEST 2022: Elapsed time for evaluation (PRE Suite): 0.22 s.
Tue Jul 05 12:11:51.206 CEST 2022: Number of Multiplets: 136
Tue Jul 05 12:11:51.209 CEST 2022: Elapsed time for evaluation (MMG Suite): 0.02 s.
Tue Jul 05 12:11:51.260 CEST 2022: Number of Peak Cluster: 30
Tue Jul 05 12:11:51.267 CEST 2022: Elapsed time for evaluation (PCG Suite): 0.05 s.
Tue Jul 05 12:11:51.292 CEST 2022: Elapsed time for evaluation (IMSO Suite): 0.02 s.
Tue Jul 05 12:11:51.445 CEST 2022: Elapsed time for evaluation (SMOOTH Suite): 0.15 s.
Tue Jul 05 12:11:51.460 CEST 2022: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.01 s.
Tue Jul 05 12:11:51.464 CEST 2022: Elapsed time for evaluation (PE Suite): 0.00 s.
Tue Jul 05 12:11:51.468 CEST 2022: Number of consistent PNS: 3
Tue Jul 05 12:11:51.470 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.00 s.
Tue Jul 05 12:11:51.473 CEST 2022: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Tue Jul 05 12:11:51.487 CEST 2022: Elapsed time for evaluation (ASSIGN Suite): 0.01 s.
Tue Jul 05 12:11:51.514 CEST 2022: Elapsed time for evaluation (IN Suite): 0.02 s.
Tue Jul 05 12:11:51.563 CEST 2022: CMC-assist project state: AutoConsistent
Tue Jul 05 12:11:51.566 CEST 2022: Impurity 13C satellite filter active!
Tue Jul 05 12:11:51.931 CEST 2022: Elapsed time for evaluation (FIN Suite): 0.41 s.
Tue Jul 05 12:11:51.934 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Tue Jul 05 12:11:51.936 CEST 2022: CMC-q finished in 1.18 s.
