Tue Jul 05 12:12:52.251 CEST 2022: Starting CMC-q package (b:17) with command cmcq assistant analysis
Tue Jul 05 12:12:52.254 CEST 2022: Analysing data set: E:\TopSpin4.0.8\data\EU_Openscreen\CMCq\CMCq\nmr\Consistent\D3_EUOS_Plate10_D3\1\pdata\1
Tue Jul 05 12:12:52.262 CEST 2022: Solvent of PROTON is unknown - set to: POLYSOLV
Tue Jul 05 12:12:52.265 CEST 2022: TD: 32768 SI: 65536 SW: 13.663
Tue Jul 05 12:12:52.267 CEST 2022: PT/PPM: 4796.3850 PT/Hz: 7.9953
Tue Jul 05 12:12:52.550 CEST 2022: No HSQC data available
Tue Jul 05 12:12:52.561 CEST 2022: No C13 data available
Tue Jul 05 12:12:52.573 CEST 2022: No HMBC data available
Tue Jul 05 12:12:52.603 CEST 2022: Elapsed time for evaluation (XD Suite): 0.03 s.
Tue Jul 05 12:12:52.625 CEST 2022: Elapsed time for evaluation (SPD Suite): 0.02 s.
Tue Jul 05 12:12:52.722 CEST 2022: Structure is used: true
Tue Jul 05 12:12:52.725 CEST 2022: MOL-File E:/TopSpin4.0.8/data/EU_Openscreen/CMCq/CMCq/nmr/Consistent/D3_EUOS_Plate10_D3/1/D3_EUOS_Plate10_D3-8b0099b7-3caf-450e-a08b-2e8ebbd00571.mol
Tue Jul 05 12:12:52.728 CEST 2022: Elapsed time for evaluation (STD Suite - BCH): 0.10 s.
Tue Jul 05 12:12:52.738 CEST 2022: Initial check warning: SR is not equal to zero; this might not be intended!
Tue Jul 05 12:12:52.741 CEST 2022: Elapsed time for evaluation (ICH Suite): 0.01 s.
Tue Jul 05 12:12:52.743 CEST 2022: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Tue Jul 05 12:12:52.746 CEST 2022: Spectrum is not 13C decoupled.
Tue Jul 05 12:12:52.748 CEST 2022: Spectrum does not contain ERETIC signal.
Tue Jul 05 12:12:52.750 CEST 2022: Spectrum is suppressed.
Tue Jul 05 12:12:52.753 CEST 2022: Elapsed time for evaluation (SPT Suite): 0.01 s.
Tue Jul 05 12:12:52.757 CEST 2022: Suppression frequencies at: 4.661 
Tue Jul 05 12:12:52.759 CEST 2022: Elapsed time for evaluation (SFF Suite): 0.00 s.
Tue Jul 05 12:12:52.762 CEST 2022: Expected impurity: TMS
Tue Jul 05 12:12:52.765 CEST 2022: Expected impurity: DMSO_D5
Tue Jul 05 12:12:52.767 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 12:12:52.769 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 12:12:52.772 CEST 2022: Elapsed time for evaluation (IMR Suite): 0.01 s.
Tue Jul 05 12:12:52.775 CEST 2022: RMSD noise: 18194941.890 (-1.670/-2.170)
Tue Jul 05 12:12:52.777 CEST 2022: Elapsed time for evaluation (ND Suite): 0.00 s.
Tue Jul 05 12:12:52.780 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Tue Jul 05 12:12:52.784 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.00 s.
Tue Jul 05 12:12:52.808 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.02 s.
Tue Jul 05 12:12:52.898 CEST 2022: Number of Peaks: (82, 5)
Tue Jul 05 12:12:52.901 CEST 2022: Elapsed time for evaluation (PP Suite): 0.09 s.
Tue Jul 05 12:12:52.904 CEST 2022: Elapsed time for evaluation (EPF Suite): 0.00 s.
Tue Jul 05 12:12:52.934 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.03 s.
Tue Jul 05 12:12:52.937 CEST 2022: Signal-to-Noise ratio: 978.07 (8.137 ppm)
Tue Jul 05 12:12:52.940 CEST 2022: Elapsed time for evaluation (SND Suite): 0.00 s.
Tue Jul 05 12:12:52.943 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Tue Jul 05 12:12:52.944 CEST 2022: Elapsed time for evaluation (PRE Suite): 0.22 s.
Tue Jul 05 12:12:52.973 CEST 2022: Number of Multiplets: 178
Tue Jul 05 12:12:52.976 CEST 2022: Elapsed time for evaluation (MMG Suite): 0.03 s.
Tue Jul 05 12:12:53.025 CEST 2022: Number of Peak Cluster: 24
Tue Jul 05 12:12:53.031 CEST 2022: Elapsed time for evaluation (PCG Suite): 0.05 s.
Tue Jul 05 12:12:53.076 CEST 2022: Elapsed time for evaluation (IMSO Suite): 0.04 s.
Tue Jul 05 12:12:53.226 CEST 2022: Elapsed time for evaluation (SMOOTH Suite): 0.15 s.
Tue Jul 05 12:12:53.258 CEST 2022: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.01 s.
Tue Jul 05 12:12:53.263 CEST 2022: Elapsed time for evaluation (PE Suite): 0.00 s.
Tue Jul 05 12:12:53.267 CEST 2022: Number of consistent PNS: 4
Tue Jul 05 12:12:53.270 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.00 s.
Tue Jul 05 12:12:53.274 CEST 2022: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Tue Jul 05 12:12:53.302 CEST 2022: Elapsed time for evaluation (ASSIGN Suite): 0.03 s.
Tue Jul 05 12:12:53.413 CEST 2022: Elapsed time for evaluation (IN Suite): 0.11 s.
Tue Jul 05 12:12:53.470 CEST 2022: CMC-assist project state: AutoConsistent
Tue Jul 05 12:12:53.473 CEST 2022: Impurity 13C satellite filter active!
Tue Jul 05 12:12:53.855 CEST 2022: Elapsed time for evaluation (FIN Suite): 0.44 s.
Tue Jul 05 12:12:53.858 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Tue Jul 05 12:12:53.861 CEST 2022: CMC-q finished in 1.61 s.
