Wed May 08 16:24:13.805 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Wed May 08 16:24:13.820 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P4_G03\1\pdata\1
Wed May 08 16:24:13.842 CEST 2019: Solvent of PROTON: H2O
Wed May 08 16:24:13.858 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Wed May 08 16:24:13.858 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Wed May 08 16:24:13.920 CEST 2019: No HSQC data available
Wed May 08 16:24:13.974 CEST 2019: No C13 data available
Wed May 08 16:24:14.020 CEST 2019: No HMBC data available
Wed May 08 16:24:14.036 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Wed May 08 16:24:14.094 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.05 s.
Wed May 08 16:24:15.076 CEST 2019: Structure is used: true
Wed May 08 16:24:15.091 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P4_G03/1/G03.mol
Wed May 08 16:24:15.107 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 1.00 s.
Wed May 08 16:24:15.123 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Wed May 08 16:24:15.145 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Wed May 08 16:24:15.145 CEST 2019: Spectrum is not 13C decoupled.
Wed May 08 16:24:15.160 CEST 2019: Spectrum does not contain ERETIC signal.
Wed May 08 16:24:15.176 CEST 2019: Spectrum is suppressed.
Wed May 08 16:24:15.176 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Wed May 08 16:24:15.192 CEST 2019: Suppression frequencies at: 4.650 
Wed May 08 16:24:15.207 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Wed May 08 16:24:15.223 CEST 2019: Expected impurity: TSP
Wed May 08 16:24:15.223 CEST 2019: Expected impurity: DMSO_D5
Wed May 08 16:24:15.245 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 16:24:15.245 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 16:24:15.261 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.05 s.
Wed May 08 16:24:15.276 CEST 2019: RMSD noise: 656.531 (-0.812/-1.312)
Wed May 08 16:24:15.276 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Wed May 08 16:24:15.292 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Wed May 08 16:24:15.308 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 16:24:15.345 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.04 s.
Wed May 08 16:24:15.751 CEST 2019: Number of Peaks: (86, 38)
Wed May 08 16:24:15.769 CEST 2019: Elapsed time for evaluation (PP Suite): 0.41 s.
Wed May 08 16:24:15.782 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Wed May 08 16:24:15.790 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 16:24:15.800 CEST 2019: Signal-to-Noise ratio: 3431.27 (2.294 ppm)
Wed May 08 16:24:15.815 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Wed May 08 16:24:15.815 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 16:24:15.831 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.71 s.
Wed May 08 16:24:16.100 CEST 2019: Number of Multiplets: 234
Wed May 08 16:24:16.116 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.28 s.
Wed May 08 16:24:16.321 CEST 2019: Number of Peak Cluster: 20
Wed May 08 16:24:16.321 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.20 s.
Wed May 08 16:24:17.124 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.79 s.
Wed May 08 16:24:18.073 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.93 s.
Wed May 08 16:24:18.090 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.01 s.
Wed May 08 16:24:18.106 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Wed May 08 16:24:18.153 CEST 2019: Number of consistent PNS: 6
Wed May 08 16:24:18.168 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.05 s.
Wed May 08 16:24:18.200 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.02 s.
Wed May 08 16:24:40.129 CEST 2019: Number of ASL: 201
Wed May 08 16:24:40.160 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 21.95 s.
Wed May 08 16:24:45.097 CEST 2019: Elapsed time for evaluation (IN Suite): 4.93 s.
Wed May 08 16:24:45.128 CEST 2019: CMC-assist project state: AutoConsistent
Wed May 08 16:24:46.018 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.92 s.
Wed May 08 16:24:46.034 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 16:24:46.050 CEST 2019: CMC-q finished in 32.24 s.
