Tue Jul 05 12:08:16.381 CEST 2022: Starting CMC-q package (b:17) with command cmcq assistant analysis
Tue Jul 05 12:08:16.383 CEST 2022: Analysing data set: E:\TopSpin4.0.8\data\EU_Openscreen\CMCq\CMCq\nmr\Consistent\E3_EUOS_Plate07_E3\1\pdata\1
Tue Jul 05 12:08:16.390 CEST 2022: Solvent of PROTON is unknown - set to: POLYSOLV
Tue Jul 05 12:08:16.394 CEST 2022: TD: 32768 SI: 65536 SW: 13.663
Tue Jul 05 12:08:16.396 CEST 2022: PT/PPM: 4796.3850 PT/Hz: 7.9953
Tue Jul 05 12:08:16.424 CEST 2022: No HSQC data available
Tue Jul 05 12:08:16.437 CEST 2022: No C13 data available
Tue Jul 05 12:08:16.449 CEST 2022: No HMBC data available
Tue Jul 05 12:08:16.457 CEST 2022: Elapsed time for evaluation (XD Suite): 0.00 s.
Tue Jul 05 12:08:16.516 CEST 2022: Elapsed time for evaluation (SPD Suite): 0.06 s.
Tue Jul 05 12:08:16.639 CEST 2022: Structure is used: true
Tue Jul 05 12:08:16.642 CEST 2022: MOL-File E:/TopSpin4.0.8/data/EU_Openscreen/CMCq/CMCq/nmr/Consistent/E3_EUOS_Plate07_E3/1/E3_EUOS_Plate07_E3-ddbd963e-0028-4465-80fa-741372cd67ec.mol
Tue Jul 05 12:08:16.644 CEST 2022: Elapsed time for evaluation (STD Suite - BCH): 0.13 s.
Tue Jul 05 12:08:16.656 CEST 2022: Initial check warning: SR is not equal to zero; this might not be intended!
Tue Jul 05 12:08:16.658 CEST 2022: Elapsed time for evaluation (ICH Suite): 0.01 s.
Tue Jul 05 12:08:16.662 CEST 2022: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Tue Jul 05 12:08:16.664 CEST 2022: Spectrum is not 13C decoupled.
Tue Jul 05 12:08:16.667 CEST 2022: Spectrum does not contain ERETIC signal.
Tue Jul 05 12:08:16.669 CEST 2022: Spectrum is suppressed.
Tue Jul 05 12:08:16.671 CEST 2022: Elapsed time for evaluation (SPT Suite): 0.01 s.
Tue Jul 05 12:08:16.676 CEST 2022: Suppression frequencies at: 4.661 
Tue Jul 05 12:08:16.678 CEST 2022: Elapsed time for evaluation (SFF Suite): 0.00 s.
Tue Jul 05 12:08:16.681 CEST 2022: Expected impurity: TMS
Tue Jul 05 12:08:16.684 CEST 2022: Expected impurity: DMSO_D5
Tue Jul 05 12:08:16.687 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 12:08:16.689 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 12:08:16.692 CEST 2022: Elapsed time for evaluation (IMR Suite): 0.01 s.
Tue Jul 05 12:08:16.694 CEST 2022: RMSD noise: 18873702.896 (9.415/8.915)
Tue Jul 05 12:08:16.697 CEST 2022: Elapsed time for evaluation (ND Suite): 0.00 s.
Tue Jul 05 12:08:16.700 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Tue Jul 05 12:08:16.704 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.00 s.
Tue Jul 05 12:08:16.727 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.02 s.
Tue Jul 05 12:08:16.836 CEST 2022: Number of Peaks: (114, 8)
Tue Jul 05 12:08:16.839 CEST 2022: Elapsed time for evaluation (PP Suite): 0.11 s.
Tue Jul 05 12:08:16.841 CEST 2022: Elapsed time for evaluation (EPF Suite): 0.00 s.
Tue Jul 05 12:08:16.854 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.01 s.
Tue Jul 05 12:08:16.857 CEST 2022: Signal-to-Noise ratio: 10709.63 (1.587 ppm)
Tue Jul 05 12:08:16.860 CEST 2022: Elapsed time for evaluation (SND Suite): 0.00 s.
Tue Jul 05 12:08:16.862 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Tue Jul 05 12:08:16.865 CEST 2022: Elapsed time for evaluation (PRE Suite): 0.22 s.
Tue Jul 05 12:08:16.895 CEST 2022: Number of Multiplets: 183
Tue Jul 05 12:08:16.898 CEST 2022: Elapsed time for evaluation (MMG Suite): 0.03 s.
Tue Jul 05 12:08:16.967 CEST 2022: Number of Peak Cluster: 32
Tue Jul 05 12:08:16.972 CEST 2022: Elapsed time for evaluation (PCG Suite): 0.07 s.
Tue Jul 05 12:08:16.995 CEST 2022: Elapsed time for evaluation (IMSO Suite): 0.02 s.
Tue Jul 05 12:08:17.165 CEST 2022: Elapsed time for evaluation (SMOOTH Suite): 0.17 s.
Tue Jul 05 12:08:17.187 CEST 2022: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.01 s.
Tue Jul 05 12:08:17.193 CEST 2022: Elapsed time for evaluation (PE Suite): 0.00 s.
Tue Jul 05 12:08:17.198 CEST 2022: Number of consistent PNS: 4
Tue Jul 05 12:08:17.200 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.01 s.
Tue Jul 05 12:08:17.203 CEST 2022: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Tue Jul 05 12:08:19.080 CEST 2022: Elapsed time for evaluation (ASSIGN Suite): 1.87 s.
Tue Jul 05 12:08:19.208 CEST 2022: Elapsed time for evaluation (IN Suite): 0.12 s.
Tue Jul 05 12:08:19.259 CEST 2022: CMC-assist project state: AutoConsistent
Tue Jul 05 12:08:19.262 CEST 2022: Impurity 13C satellite filter active!
Tue Jul 05 12:08:19.654 CEST 2022: Elapsed time for evaluation (FIN Suite): 0.44 s.
Tue Jul 05 12:08:19.657 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Tue Jul 05 12:08:19.660 CEST 2022: CMC-q finished in 3.28 s.
