Wed May 08 10:52:31.618 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Wed May 08 10:52:31.634 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P5_43\1\pdata\1
Wed May 08 10:52:31.649 CEST 2019: Solvent of PROTON: H2O
Wed May 08 10:52:31.665 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Wed May 08 10:52:31.681 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Wed May 08 10:52:31.718 CEST 2019: No HSQC data available
Wed May 08 10:52:31.749 CEST 2019: No C13 data available
Wed May 08 10:52:31.796 CEST 2019: No HMBC data available
Wed May 08 10:52:31.796 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Wed May 08 10:52:31.852 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.05 s.
Wed May 08 10:52:32.619 CEST 2019: Structure is used: true
Wed May 08 10:52:32.650 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P5_43/1/D07.mol
Wed May 08 10:52:32.666 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.79 s.
Wed May 08 10:52:32.687 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Wed May 08 10:52:32.703 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Wed May 08 10:52:32.703 CEST 2019: Spectrum is not 13C decoupled.
Wed May 08 10:52:32.719 CEST 2019: Spectrum does not contain ERETIC signal.
Wed May 08 10:52:32.719 CEST 2019: Spectrum is suppressed.
Wed May 08 10:52:32.734 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Wed May 08 10:52:32.734 CEST 2019: Suppression frequencies at: 4.650 
Wed May 08 10:52:32.750 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Wed May 08 10:52:32.766 CEST 2019: Expected impurity: TSP
Wed May 08 10:52:32.781 CEST 2019: Expected impurity: DMSO_D5
Wed May 08 10:52:32.781 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 10:52:32.797 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 10:52:32.797 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.04 s.
Wed May 08 10:52:32.812 CEST 2019: RMSD noise: 706.156 (6.462/5.963)
Wed May 08 10:52:32.828 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Wed May 08 10:52:32.844 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Wed May 08 10:52:32.844 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 10:52:32.890 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.04 s.
Wed May 08 10:52:33.095 CEST 2019: Number of Peaks: (37, 20)
Wed May 08 10:52:33.095 CEST 2019: Elapsed time for evaluation (PP Suite): 0.20 s.
Wed May 08 10:52:33.110 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Wed May 08 10:52:33.126 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 10:52:33.126 CEST 2019: Signal-to-Noise ratio: 1162.43 (6.632 ppm)
Wed May 08 10:52:33.142 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Wed May 08 10:52:33.157 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 10:52:33.157 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.49 s.
Wed May 08 10:52:33.204 CEST 2019: Number of Multiplets: 113
Wed May 08 10:52:33.220 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.05 s.
Wed May 08 10:52:33.282 CEST 2019: Number of Peak Cluster: 10
Wed May 08 10:52:33.298 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.07 s.
Wed May 08 10:52:33.407 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.10 s.
Wed May 08 10:52:33.751 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.34 s.
Wed May 08 10:52:33.782 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Wed May 08 10:52:33.798 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Wed May 08 10:52:33.813 CEST 2019: Number of consistent PNS: 3
Wed May 08 10:52:33.820 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.02 s.
Wed May 08 10:52:33.838 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Wed May 08 10:52:44.622 CEST 2019: Number of ASL: 224
Wed May 08 10:52:44.634 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 10.78 s.
Wed May 08 10:52:45.477 CEST 2019: Elapsed time for evaluation (IN Suite): 0.84 s.
Wed May 08 10:52:45.508 CEST 2019: CMC-assist project state: AutoConsistent
Wed May 08 10:52:45.524 CEST 2019: Impurity 13C satellite filter active!
Wed May 08 10:52:46.306 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.83 s.
Wed May 08 10:52:46.323 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 10:52:46.339 CEST 2019: CMC-q finished in 14.72 s.
