Tue Jul 05 12:09:40.383 CEST 2022: Starting CMC-q package (b:17) with command cmcq assistant analysis
Tue Jul 05 12:09:40.386 CEST 2022: Analysing data set: E:\TopSpin4.0.8\data\EU_Openscreen\CMCq\CMCq\nmr\Consistent\F5_EUOS_Plate07_F5\1\pdata\1
Tue Jul 05 12:09:40.393 CEST 2022: Solvent of PROTON is unknown - set to: POLYSOLV
Tue Jul 05 12:09:40.397 CEST 2022: TD: 32768 SI: 65536 SW: 13.663
Tue Jul 05 12:09:40.399 CEST 2022: PT/PPM: 4796.3850 PT/Hz: 7.9953
Tue Jul 05 12:09:40.460 CEST 2022: No HSQC data available
Tue Jul 05 12:09:40.474 CEST 2022: No C13 data available
Tue Jul 05 12:09:40.487 CEST 2022: No HMBC data available
Tue Jul 05 12:09:40.494 CEST 2022: Elapsed time for evaluation (XD Suite): 0.00 s.
Tue Jul 05 12:09:40.515 CEST 2022: Elapsed time for evaluation (SPD Suite): 0.02 s.
Tue Jul 05 12:09:40.628 CEST 2022: Structure is used: true
Tue Jul 05 12:09:40.631 CEST 2022: MOL-File E:/TopSpin4.0.8/data/EU_Openscreen/CMCq/CMCq/nmr/Consistent/F5_EUOS_Plate07_F5/1/F5_EUOS_Plate07_F5-ec7c3122-f5ff-4a82-8d68-e106c31f7f10.mol
Tue Jul 05 12:09:40.634 CEST 2022: Elapsed time for evaluation (STD Suite - BCH): 0.12 s.
Tue Jul 05 12:09:40.645 CEST 2022: Initial check warning: SR is not equal to zero; this might not be intended!
Tue Jul 05 12:09:40.648 CEST 2022: Elapsed time for evaluation (ICH Suite): 0.01 s.
Tue Jul 05 12:09:40.651 CEST 2022: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Tue Jul 05 12:09:40.653 CEST 2022: Spectrum is not 13C decoupled.
Tue Jul 05 12:09:40.655 CEST 2022: Spectrum does not contain ERETIC signal.
Tue Jul 05 12:09:40.658 CEST 2022: Spectrum is suppressed.
Tue Jul 05 12:09:40.660 CEST 2022: Elapsed time for evaluation (SPT Suite): 0.01 s.
Tue Jul 05 12:09:40.665 CEST 2022: Suppression frequencies at: 4.661 
Tue Jul 05 12:09:40.668 CEST 2022: Elapsed time for evaluation (SFF Suite): 0.01 s.
Tue Jul 05 12:09:40.671 CEST 2022: Expected impurity: TMS
Tue Jul 05 12:09:40.673 CEST 2022: Expected impurity: DMSO_D5
Tue Jul 05 12:09:40.676 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 12:09:40.678 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 12:09:40.680 CEST 2022: Elapsed time for evaluation (IMR Suite): 0.01 s.
Tue Jul 05 12:09:40.682 CEST 2022: RMSD noise: 18276494.829 (-1.670/-2.170)
Tue Jul 05 12:09:40.685 CEST 2022: Elapsed time for evaluation (ND Suite): 0.00 s.
Tue Jul 05 12:09:40.688 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Tue Jul 05 12:09:40.692 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.00 s.
Tue Jul 05 12:09:40.716 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.02 s.
Tue Jul 05 12:09:40.850 CEST 2022: Number of Peaks: (122, 9)
Tue Jul 05 12:09:40.874 CEST 2022: Elapsed time for evaluation (PP Suite): 0.16 s.
Tue Jul 05 12:09:40.877 CEST 2022: Elapsed time for evaluation (EPF Suite): 0.00 s.
Tue Jul 05 12:09:40.890 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.01 s.
Tue Jul 05 12:09:40.893 CEST 2022: Signal-to-Noise ratio: 4403.33 (2.242 ppm)
Tue Jul 05 12:09:40.895 CEST 2022: Elapsed time for evaluation (SND Suite): 0.00 s.
Tue Jul 05 12:09:40.898 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Tue Jul 05 12:09:40.900 CEST 2022: Elapsed time for evaluation (PRE Suite): 0.26 s.
Tue Jul 05 12:09:40.932 CEST 2022: Number of Multiplets: 181
Tue Jul 05 12:09:40.934 CEST 2022: Elapsed time for evaluation (MMG Suite): 0.03 s.
Tue Jul 05 12:09:41.018 CEST 2022: Number of Peak Cluster: 41
Tue Jul 05 12:09:41.024 CEST 2022: Elapsed time for evaluation (PCG Suite): 0.09 s.
Tue Jul 05 12:09:41.039 CEST 2022: Elapsed time for evaluation (IMSO Suite): 0.01 s.
Tue Jul 05 12:09:41.222 CEST 2022: Elapsed time for evaluation (SMOOTH Suite): 0.18 s.
Tue Jul 05 12:09:41.237 CEST 2022: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.01 s.
Tue Jul 05 12:09:41.243 CEST 2022: Elapsed time for evaluation (PE Suite): 0.00 s.
Tue Jul 05 12:09:41.248 CEST 2022: Number of consistent PNS: 6
Tue Jul 05 12:09:41.250 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.01 s.
Tue Jul 05 12:09:41.254 CEST 2022: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Tue Jul 05 12:09:41.361 CEST 2022: Elapsed time for evaluation (ASSIGN Suite): 0.10 s.
Tue Jul 05 12:09:41.406 CEST 2022: Elapsed time for evaluation (IN Suite): 0.04 s.
Tue Jul 05 12:09:41.462 CEST 2022: CMC-assist project state: AutoConsistent
Tue Jul 05 12:09:41.465 CEST 2022: Impurity 13C satellite filter active!
Tue Jul 05 12:09:41.839 CEST 2022: Elapsed time for evaluation (FIN Suite): 0.43 s.
Tue Jul 05 12:09:41.842 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Tue Jul 05 12:09:41.844 CEST 2022: CMC-q finished in 1.46 s.
