Wed May 08 16:22:28.821 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Wed May 08 16:22:28.821 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P4_F09\1\pdata\1
Wed May 08 16:22:28.852 CEST 2019: Solvent of PROTON: H2O
Wed May 08 16:22:28.868 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Wed May 08 16:22:28.883 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Wed May 08 16:22:28.937 CEST 2019: No HSQC data available
Wed May 08 16:22:28.983 CEST 2019: No C13 data available
Wed May 08 16:22:29.021 CEST 2019: No HMBC data available
Wed May 08 16:22:29.037 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Wed May 08 16:22:29.099 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.05 s.
Wed May 08 16:22:29.897 CEST 2019: Structure is used: true
Wed May 08 16:22:29.915 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P4_F09/1/F09.mol
Wed May 08 16:22:29.940 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.83 s.
Wed May 08 16:22:29.956 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Wed May 08 16:22:29.972 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Wed May 08 16:22:29.972 CEST 2019: Spectrum is not 13C decoupled.
Wed May 08 16:22:29.990 CEST 2019: Spectrum does not contain ERETIC signal.
Wed May 08 16:22:29.990 CEST 2019: Spectrum is suppressed.
Wed May 08 16:22:30.005 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Wed May 08 16:22:30.005 CEST 2019: Suppression frequencies at: 4.650 
Wed May 08 16:22:30.025 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Wed May 08 16:22:30.041 CEST 2019: Expected impurity: TSP
Wed May 08 16:22:30.041 CEST 2019: Expected impurity: DMSO_D5
Wed May 08 16:22:30.056 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 16:22:30.056 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 16:22:30.072 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.04 s.
Wed May 08 16:22:30.090 CEST 2019: RMSD noise: 708.396 (10.098/9.598)
Wed May 08 16:22:30.090 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Wed May 08 16:22:30.105 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Wed May 08 16:22:30.122 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 16:22:30.157 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.04 s.
Wed May 08 16:22:30.326 CEST 2019: Number of Peaks: (35, 14)
Wed May 08 16:22:30.342 CEST 2019: Elapsed time for evaluation (PP Suite): 0.17 s.
Wed May 08 16:22:30.342 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Wed May 08 16:22:30.357 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 16:22:30.373 CEST 2019: Signal-to-Noise ratio: 3409.21 (3.660 ppm)
Wed May 08 16:22:30.373 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Wed May 08 16:22:30.388 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 16:22:30.388 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.45 s.
Wed May 08 16:22:30.420 CEST 2019: Number of Multiplets: 48
Wed May 08 16:22:30.426 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.02 s.
Wed May 08 16:22:30.520 CEST 2019: Number of Peak Cluster: 19
Wed May 08 16:22:30.526 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.09 s.
Wed May 08 16:22:30.558 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.03 s.
Wed May 08 16:22:30.929 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.35 s.
Wed May 08 16:22:30.950 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Wed May 08 16:22:30.970 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Wed May 08 16:22:30.980 CEST 2019: Number of consistent PNS: 6
Wed May 08 16:22:30.998 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.02 s.
Wed May 08 16:22:31.011 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Wed May 08 16:22:31.224 CEST 2019: Number of ASL: 40
Wed May 08 16:22:31.234 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 0.22 s.
Wed May 08 16:22:31.640 CEST 2019: Elapsed time for evaluation (IN Suite): 0.39 s.
Wed May 08 16:22:31.658 CEST 2019: CMC-assist project state: AutoConsistent
Wed May 08 16:22:31.674 CEST 2019: Impurity 13C satellite filter active!
Wed May 08 16:22:32.454 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.81 s.
Wed May 08 16:22:32.464 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 16:22:32.492 CEST 2019: CMC-q finished in 3.67 s.
