Mon Jul 04 19:36:52.641 CEST 2022: Starting CMC-q package (b:17) with command cmcq assistant analysis
Mon Jul 04 19:36:52.644 CEST 2022: Analysing data set: E:\TopSpin4.0.8\data\EU_Openscreen\CMCq\CMCq\nmr\Consistent\F4_EUOS_Plate08_F4\1\pdata\1
Mon Jul 04 19:36:52.653 CEST 2022: Solvent of PROTON is unknown - set to: POLYSOLV
Mon Jul 04 19:36:52.658 CEST 2022: TD: 32768 SI: 65536 SW: 13.663
Mon Jul 04 19:36:52.662 CEST 2022: PT/PPM: 4796.3850 PT/Hz: 7.9953
Mon Jul 04 19:36:54.829 CEST 2022: No HSQC data available
Mon Jul 04 19:36:54.845 CEST 2022: No C13 data available
Mon Jul 04 19:36:54.860 CEST 2022: No HMBC data available
Mon Jul 04 19:36:54.869 CEST 2022: Elapsed time for evaluation (XD Suite): 0.01 s.
Mon Jul 04 19:36:54.887 CEST 2022: Elapsed time for evaluation (SPD Suite): 0.02 s.
Mon Jul 04 19:36:55.010 CEST 2022: Structure is used: true
Mon Jul 04 19:36:55.027 CEST 2022: MOL-File E:/TopSpin4.0.8/data/EU_Openscreen/CMCq/CMCq/nmr/Consistent/F4_EUOS_Plate08_F4/1/F4_EUOS_Plate08_F4-6a687ad5-8cb6-4d08-b682-b41373f13034.mol
Mon Jul 04 19:36:55.029 CEST 2022: Elapsed time for evaluation (STD Suite - BCH): 0.14 s.
Mon Jul 04 19:36:55.036 CEST 2022: Initial check warning: SR is not equal to zero; this might not be intended!
Mon Jul 04 19:36:55.039 CEST 2022: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon Jul 04 19:36:55.101 CEST 2022: Elapsed time for evaluation (EFCH Suite): 0.06 s.
Mon Jul 04 19:36:55.104 CEST 2022: Spectrum is not 13C decoupled.
Mon Jul 04 19:36:55.107 CEST 2022: Spectrum does not contain ERETIC signal.
Mon Jul 04 19:36:55.110 CEST 2022: Spectrum is suppressed.
Mon Jul 04 19:36:55.113 CEST 2022: Elapsed time for evaluation (SPT Suite): 0.01 s.
Mon Jul 04 19:36:55.117 CEST 2022: Suppression frequencies at: 4.769 
Mon Jul 04 19:36:55.121 CEST 2022: Elapsed time for evaluation (SFF Suite): 0.00 s.
Mon Jul 04 19:36:55.124 CEST 2022: Expected impurity: TMS
Mon Jul 04 19:36:55.127 CEST 2022: Expected impurity: DMSO_D5
Mon Jul 04 19:36:55.130 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 19:36:55.131 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 19:36:55.134 CEST 2022: Elapsed time for evaluation (IMR Suite): 0.01 s.
Mon Jul 04 19:36:55.136 CEST 2022: RMSD noise: 18405354.622 (9.522/9.022)
Mon Jul 04 19:36:55.139 CEST 2022: Elapsed time for evaluation (ND Suite): 0.00 s.
Mon Jul 04 19:36:55.143 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon Jul 04 19:36:55.147 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon Jul 04 19:36:55.172 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.02 s.
Mon Jul 04 19:36:55.414 CEST 2022: Number of Peaks: (218, 28)
Mon Jul 04 19:36:55.417 CEST 2022: Elapsed time for evaluation (PP Suite): 0.24 s.
Mon Jul 04 19:36:55.420 CEST 2022: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon Jul 04 19:36:55.484 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.06 s.
Mon Jul 04 19:36:55.488 CEST 2022: Signal-to-Noise ratio: 44963.13 (3.339 ppm)
Mon Jul 04 19:36:55.491 CEST 2022: Elapsed time for evaluation (SND Suite): 0.00 s.
Mon Jul 04 19:36:55.494 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 19:36:55.497 CEST 2022: Elapsed time for evaluation (PRE Suite): 0.46 s.
Mon Jul 04 19:36:55.852 CEST 2022: Number of Multiplets: 512
Mon Jul 04 19:36:55.864 CEST 2022: Elapsed time for evaluation (MMG Suite): 0.36 s.
Mon Jul 04 19:36:56.014 CEST 2022: Number of Peak Cluster: 30
Mon Jul 04 19:36:56.022 CEST 2022: Elapsed time for evaluation (PCG Suite): 0.16 s.
Mon Jul 04 19:36:56.038 CEST 2022: Elapsed time for evaluation (IMSO Suite): 0.01 s.
Mon Jul 04 19:36:56.429 CEST 2022: Elapsed time for evaluation (SMOOTH Suite): 0.39 s.
Mon Jul 04 19:36:56.449 CEST 2022: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.02 s.
Mon Jul 04 19:36:56.455 CEST 2022: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon Jul 04 19:36:56.462 CEST 2022: Number of consistent PNS: 3
Mon Jul 04 19:36:56.465 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.01 s.
Mon Jul 04 19:36:56.470 CEST 2022: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon Jul 04 19:36:57.380 CEST 2022: Elapsed time for evaluation (ASSIGN Suite): 0.91 s.
Mon Jul 04 19:36:58.381 CEST 2022: Elapsed time for evaluation (IN Suite): 1.00 s.
Mon Jul 04 19:36:58.441 CEST 2022: CMC-assist project state: AutoConsistent
Mon Jul 04 19:36:58.445 CEST 2022: Impurity 13C satellite filter active!
Mon Jul 04 19:36:58.862 CEST 2022: Elapsed time for evaluation (FIN Suite): 0.48 s.
Mon Jul 04 19:36:58.866 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 19:36:58.869 CEST 2022: CMC-q finished in 6.23 s.
