Wed May 08 12:12:28.856 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Wed May 08 12:12:28.856 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P6_60\1\pdata\1
Wed May 08 12:12:28.888 CEST 2019: Solvent of PROTON: H2O
Wed May 08 12:12:28.903 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Wed May 08 12:12:28.903 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Wed May 08 12:12:28.967 CEST 2019: No HSQC data available
Wed May 08 12:12:29.014 CEST 2019: No C13 data available
Wed May 08 12:12:29.092 CEST 2019: No HMBC data available
Wed May 08 12:12:29.108 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Wed May 08 12:12:29.181 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.07 s.
Wed May 08 12:12:29.932 CEST 2019: Structure is used: true
Wed May 08 12:12:29.964 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P6_60/1/E12.mol
Wed May 08 12:12:29.964 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.78 s.
Wed May 08 12:12:30.006 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.03 s.
Wed May 08 12:12:30.022 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Wed May 08 12:12:30.022 CEST 2019: Spectrum is not 13C decoupled.
Wed May 08 12:12:30.038 CEST 2019: Spectrum does not contain ERETIC signal.
Wed May 08 12:12:30.053 CEST 2019: Spectrum is suppressed.
Wed May 08 12:12:30.053 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Wed May 08 12:12:30.069 CEST 2019: Suppression frequencies at: 4.650 
Wed May 08 12:12:30.084 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Wed May 08 12:12:30.100 CEST 2019: Expected impurity: TSP
Wed May 08 12:12:30.100 CEST 2019: Expected impurity: DMSO_D5
Wed May 08 12:12:30.116 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 12:12:30.131 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 12:12:30.131 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.05 s.
Wed May 08 12:12:30.147 CEST 2019: RMSD noise: 677.008 (5.856/5.357)
Wed May 08 12:12:30.163 CEST 2019: Elapsed time for evaluation (ND Suite): 0.02 s.
Wed May 08 12:12:30.179 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Wed May 08 12:12:30.195 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 12:12:30.242 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.03 s.
Wed May 08 12:12:30.649 CEST 2019: Number of Peaks: (84, 33)
Wed May 08 12:12:30.680 CEST 2019: Elapsed time for evaluation (PP Suite): 0.44 s.
Wed May 08 12:12:30.696 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Wed May 08 12:12:30.696 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 12:12:30.733 CEST 2019: Signal-to-Noise ratio: 3714.73 (1.248 ppm)
Wed May 08 12:12:30.733 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Wed May 08 12:12:30.749 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 12:12:30.765 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.78 s.
Wed May 08 12:12:30.953 CEST 2019: Number of Multiplets: 196
Wed May 08 12:12:30.969 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.19 s.
Wed May 08 12:12:31.110 CEST 2019: Number of Peak Cluster: 14
Wed May 08 12:12:31.125 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.14 s.
Wed May 08 12:12:31.188 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.05 s.
Wed May 08 12:12:32.126 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.93 s.
Wed May 08 12:12:32.157 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.01 s.
Wed May 08 12:12:32.173 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Wed May 08 12:12:32.563 CEST 2019: Number of consistent PNS: 6
Wed May 08 12:12:32.579 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.39 s.
Wed May 08 12:12:32.595 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.01 s.
Wed May 08 12:12:58.732 CEST 2019: Number of ASL: 201
Wed May 08 12:12:58.748 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 26.14 s.
Wed May 08 12:13:01.280 CEST 2019: Elapsed time for evaluation (IN Suite): 2.52 s.
Wed May 08 12:13:01.332 CEST 2019: CMC-assist project state: AutoConsistent
Wed May 08 12:13:01.347 CEST 2019: Impurity 13C satellite filter active!
Wed May 08 12:13:02.115 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.82 s.
Wed May 08 12:13:02.131 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 12:13:02.147 CEST 2019: CMC-q finished in 33.29 s.
