Wed May 08 16:23:25.796 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Wed May 08 16:23:25.812 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P4_F12\1\pdata\1
Wed May 08 16:23:25.843 CEST 2019: Solvent of PROTON: H2O
Wed May 08 16:23:25.858 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Wed May 08 16:23:25.858 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Wed May 08 16:23:25.921 CEST 2019: No HSQC data available
Wed May 08 16:23:25.968 CEST 2019: No C13 data available
Wed May 08 16:23:26.032 CEST 2019: No HMBC data available
Wed May 08 16:23:26.047 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Wed May 08 16:23:26.106 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.05 s.
Wed May 08 16:23:26.766 CEST 2019: Structure is used: true
Wed May 08 16:23:26.782 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P4_F12/1/F12.mol
Wed May 08 16:23:26.797 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.68 s.
Wed May 08 16:23:26.831 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.02 s.
Wed May 08 16:23:26.831 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Wed May 08 16:23:26.852 CEST 2019: Spectrum is not 13C decoupled.
Wed May 08 16:23:26.866 CEST 2019: Spectrum does not contain ERETIC signal.
Wed May 08 16:23:26.869 CEST 2019: Spectrum is suppressed.
Wed May 08 16:23:26.887 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Wed May 08 16:23:26.887 CEST 2019: Suppression frequencies at: 4.650 
Wed May 08 16:23:26.903 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Wed May 08 16:23:26.918 CEST 2019: Expected impurity: TSP
Wed May 08 16:23:26.934 CEST 2019: Expected impurity: DMSO_D5
Wed May 08 16:23:26.934 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 16:23:26.950 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 16:23:26.964 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.05 s.
Wed May 08 16:23:26.979 CEST 2019: RMSD noise: 639.425 (8.886/8.386)
Wed May 08 16:23:26.979 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Wed May 08 16:23:26.995 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Wed May 08 16:23:27.010 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 16:23:27.089 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.07 s.
Wed May 08 16:23:27.684 CEST 2019: Number of Peaks: (69, 29)
Wed May 08 16:23:27.700 CEST 2019: Elapsed time for evaluation (PP Suite): 0.60 s.
Wed May 08 16:23:27.716 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Wed May 08 16:23:27.716 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 16:23:27.731 CEST 2019: Signal-to-Noise ratio: 2083.82 (3.540 ppm)
Wed May 08 16:23:27.747 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Wed May 08 16:23:27.747 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 16:23:27.763 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.96 s.
Wed May 08 16:23:27.966 CEST 2019: Number of Multiplets: 206
Wed May 08 16:23:27.981 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.21 s.
Wed May 08 16:23:28.122 CEST 2019: Number of Peak Cluster: 12
Wed May 08 16:23:28.137 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.14 s.
Wed May 08 16:23:28.186 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.04 s.
Wed May 08 16:23:28.998 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.80 s.
Wed May 08 16:23:29.029 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.03 s.
Wed May 08 16:23:29.045 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Wed May 08 16:23:29.060 CEST 2019: Number of consistent PNS: 3
Wed May 08 16:23:29.076 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.02 s.
Wed May 08 16:23:29.123 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.04 s.
Wed May 08 16:23:32.256 CEST 2019: Number of ASL: 8
Wed May 08 16:23:32.271 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 3.14 s.
Wed May 08 16:23:33.524 CEST 2019: Elapsed time for evaluation (IN Suite): 1.25 s.
Wed May 08 16:23:33.556 CEST 2019: CMC-assist project state: AutoConsistent
Wed May 08 16:23:33.556 CEST 2019: Impurity 13C satellite filter active!
Wed May 08 16:23:34.354 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.82 s.
Wed May 08 16:23:34.370 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 16:23:34.370 CEST 2019: CMC-q finished in 8.57 s.
