Mon Jul 04 19:35:29.914 CEST 2022: Starting CMC-q package (b:17) with command cmcq assistant analysis
Mon Jul 04 19:35:29.917 CEST 2022: Analysing data set: E:\TopSpin4.0.8\data\EU_Openscreen\CMCq\CMCq\nmr\Consistent\F1_EUOS_Plate08_F1\1\pdata\1
Mon Jul 04 19:35:29.925 CEST 2022: Solvent of PROTON is unknown - set to: POLYSOLV
Mon Jul 04 19:35:29.929 CEST 2022: TD: 32768 SI: 65536 SW: 13.663
Mon Jul 04 19:35:29.933 CEST 2022: PT/PPM: 4796.3850 PT/Hz: 7.9953
Mon Jul 04 19:35:29.945 CEST 2022: No HSQC data available
Mon Jul 04 19:35:29.956 CEST 2022: No C13 data available
Mon Jul 04 19:35:29.967 CEST 2022: No HMBC data available
Mon Jul 04 19:35:29.975 CEST 2022: Elapsed time for evaluation (XD Suite): 0.01 s.
Mon Jul 04 19:35:30.016 CEST 2022: Elapsed time for evaluation (SPD Suite): 0.04 s.
Mon Jul 04 19:35:30.153 CEST 2022: Structure is used: true
Mon Jul 04 19:35:30.181 CEST 2022: MOL-File E:/TopSpin4.0.8/data/EU_Openscreen/CMCq/CMCq/nmr/Consistent/F1_EUOS_Plate08_F1/1/F1_EUOS_Plate08_F1-0ee1ab34-8fdd-4da7-8f2a-1d50e73a0283.mol
Mon Jul 04 19:35:30.184 CEST 2022: Elapsed time for evaluation (STD Suite - BCH): 0.16 s.
Mon Jul 04 19:35:30.191 CEST 2022: Initial check warning: SR is not equal to zero; this might not be intended!
Mon Jul 04 19:35:30.194 CEST 2022: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon Jul 04 19:35:30.197 CEST 2022: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon Jul 04 19:35:30.200 CEST 2022: Spectrum is not 13C decoupled.
Mon Jul 04 19:35:30.202 CEST 2022: Spectrum does not contain ERETIC signal.
Mon Jul 04 19:35:30.205 CEST 2022: Spectrum is suppressed.
Mon Jul 04 19:35:30.207 CEST 2022: Elapsed time for evaluation (SPT Suite): 0.01 s.
Mon Jul 04 19:35:30.212 CEST 2022: Suppression frequencies at: 4.770 
Mon Jul 04 19:35:30.215 CEST 2022: Elapsed time for evaluation (SFF Suite): 0.01 s.
Mon Jul 04 19:35:30.219 CEST 2022: Expected impurity: TMS
Mon Jul 04 19:35:30.222 CEST 2022: Expected impurity: DMSO_D5
Mon Jul 04 19:35:30.225 CEST 2022: Expected impurity: CustomImpurity [isActive=true, identifier=DMSO, protonShiftLimitAPpm=2.7, protonShiftLimitBPpm=2.66, protonMultiplicity=other, protonCouplingHz=[], protonNumber=0, carbonShiftLimitAPpm=-100.0, carbonShiftLimitBPpm=-100.0, carbonNumber=0]
Mon Jul 04 19:35:30.228 CEST 2022: Expected impurity: CustomImpurity [isActive=true, identifier=DSS, protonShiftLimitAPpm=-0.01, protonShiftLimitBPpm=0.01, protonMultiplicity=other, protonCouplingHz=[], protonNumber=0, carbonShiftLimitAPpm=-100.0, carbonShiftLimitBPpm=-100.0, carbonNumber=0]
Mon Jul 04 19:35:30.231 CEST 2022: Elapsed time for evaluation (IMR Suite): 0.01 s.
Mon Jul 04 19:35:30.234 CEST 2022: RMSD noise: 17769152.447 (11.601/11.101)
Mon Jul 04 19:35:30.236 CEST 2022: Elapsed time for evaluation (ND Suite): 0.00 s.
Mon Jul 04 19:35:30.240 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon Jul 04 19:35:30.244 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon Jul 04 19:35:30.269 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.02 s.
Mon Jul 04 19:35:30.454 CEST 2022: Number of Peaks: (154, 29)
Mon Jul 04 19:35:30.457 CEST 2022: Elapsed time for evaluation (PP Suite): 0.18 s.
Mon Jul 04 19:35:30.460 CEST 2022: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon Jul 04 19:35:30.481 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.02 s.
Mon Jul 04 19:35:30.485 CEST 2022: Signal-to-Noise ratio: 33511.94 (2.239 ppm)
Mon Jul 04 19:35:30.488 CEST 2022: Elapsed time for evaluation (SND Suite): 0.00 s.
Mon Jul 04 19:35:30.490 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 19:35:30.492 CEST 2022: Elapsed time for evaluation (PRE Suite): 0.31 s.
Mon Jul 04 19:35:30.567 CEST 2022: Number of Multiplets: 262
Mon Jul 04 19:35:30.578 CEST 2022: Elapsed time for evaluation (MMG Suite): 0.08 s.
Mon Jul 04 19:35:30.683 CEST 2022: Number of Peak Cluster: 40
Mon Jul 04 19:35:30.690 CEST 2022: Elapsed time for evaluation (PCG Suite): 0.11 s.
Mon Jul 04 19:35:30.715 CEST 2022: Elapsed time for evaluation (IMSO Suite): 0.02 s.
Mon Jul 04 19:35:30.973 CEST 2022: Elapsed time for evaluation (SMOOTH Suite): 0.25 s.
Mon Jul 04 19:35:31.001 CEST 2022: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.02 s.
Mon Jul 04 19:35:31.008 CEST 2022: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon Jul 04 19:35:31.013 CEST 2022: Number of consistent PNS: 2
Mon Jul 04 19:35:31.016 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.00 s.
Mon Jul 04 19:35:31.019 CEST 2022: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon Jul 04 19:35:31.027 CEST 2022: Elapsed time for evaluation (ASSIGN Suite): 0.01 s.
Mon Jul 04 19:35:31.055 CEST 2022: Elapsed time for evaluation (IN Suite): 0.03 s.
Mon Jul 04 19:35:31.117 CEST 2022: CMC-assist project state: AutoConsistent
Mon Jul 04 19:35:31.120 CEST 2022: Impurity 13C satellite filter active!
Mon Jul 04 19:35:31.510 CEST 2022: Elapsed time for evaluation (FIN Suite): 0.45 s.
Mon Jul 04 19:35:31.521 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 19:35:31.524 CEST 2022: CMC-q finished in 1.61 s.
