Wed May 08 09:14:16.983 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Wed May 08 09:14:16.999 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P1_9\1\pdata\1
Wed May 08 09:14:17.014 CEST 2019: Solvent of PROTON: H2O
Wed May 08 09:14:17.030 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Wed May 08 09:14:17.030 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Wed May 08 09:14:17.046 CEST 2019: No HSQC data available
Wed May 08 09:14:17.077 CEST 2019: No C13 data available
Wed May 08 09:14:17.092 CEST 2019: No HMBC data available
Wed May 08 09:14:17.092 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Wed May 08 09:14:17.139 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.03 s.
Wed May 08 09:14:17.768 CEST 2019: Structure is used: true
Wed May 08 09:14:17.784 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P1_9/1/65.mol
Wed May 08 09:14:17.784 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.64 s.
Wed May 08 09:14:17.799 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Wed May 08 09:14:17.815 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Wed May 08 09:14:17.815 CEST 2019: Spectrum is not 13C decoupled.
Wed May 08 09:14:17.831 CEST 2019: Spectrum does not contain ERETIC signal.
Wed May 08 09:14:17.831 CEST 2019: Spectrum is suppressed.
Wed May 08 09:14:17.846 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.02 s.
Wed May 08 09:14:17.846 CEST 2019: Suppression frequencies at: 4.650 
Wed May 08 09:14:17.862 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Wed May 08 09:14:17.878 CEST 2019: Expected impurity: TSP
Wed May 08 09:14:17.878 CEST 2019: Expected impurity: DMSO_D5
Wed May 08 09:14:17.893 CEST 2019: Expected impurity: CustomImpurity [isActive=true, identifier=Imp1, protonShiftLimitAPpm=2.4, protonShiftLimitBPpm=2.5, protonMultiplicity=other, protonCouplingHz=[], protonNumber=0, carbonShiftLimitAPpm=-100.0, carbonShiftLimitBPpm=-100.0, carbonNumber=0]
Wed May 08 09:14:17.893 CEST 2019: Expected impurity: CustomImpurity [isActive=true, identifier=Imp2, protonShiftLimitAPpm=2.7, protonShiftLimitBPpm=2.76, protonMultiplicity=other, protonCouplingHz=[], protonNumber=0, carbonShiftLimitAPpm=-100.0, carbonShiftLimitBPpm=-100.0, carbonNumber=0]
Wed May 08 09:14:17.909 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.03 s.
Wed May 08 09:14:17.909 CEST 2019: RMSD noise: 672.056 (10.704/10.204)
Wed May 08 09:14:17.924 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Wed May 08 09:14:17.924 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Wed May 08 09:14:17.940 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 09:14:17.971 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.03 s.
Wed May 08 09:14:18.143 CEST 2019: Number of Peaks: (53, 23)
Wed May 08 09:14:18.159 CEST 2019: Elapsed time for evaluation (PP Suite): 0.17 s.
Wed May 08 09:14:18.159 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Wed May 08 09:14:18.174 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 09:14:18.174 CEST 2019: Signal-to-Noise ratio: 622.01 (6.828 ppm)
Wed May 08 09:14:18.190 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Wed May 08 09:14:18.190 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 09:14:18.206 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.40 s.
Wed May 08 09:14:18.237 CEST 2019: Number of Multiplets: 113
Wed May 08 09:14:18.237 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.03 s.
Wed May 08 09:14:18.307 CEST 2019: Number of Peak Cluster: 17
Wed May 08 09:14:18.323 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.08 s.
Wed May 08 09:14:18.370 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.03 s.
Wed May 08 09:14:18.668 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.30 s.
Wed May 08 09:14:18.699 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.02 s.
Wed May 08 09:14:18.715 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Wed May 08 09:14:18.731 CEST 2019: Number of consistent PNS: 4
Wed May 08 09:14:18.731 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.01 s.
Wed May 08 09:14:18.746 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Wed May 08 09:14:24.570 CEST 2019: Number of ASL: 103
Wed May 08 09:14:24.586 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 5.83 s.
Wed May 08 09:14:25.150 CEST 2019: Elapsed time for evaluation (IN Suite): 0.56 s.
Wed May 08 09:14:25.182 CEST 2019: CMC-assist project state: AutoConsistent
Wed May 08 09:14:25.728 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.57 s.
Wed May 08 09:14:25.728 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 09:14:25.744 CEST 2019: CMC-q finished in 8.76 s.
