Mon May 06 23:23:17.591 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Mon May 06 23:23:17.591 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\iNEXT_G2_Plate8\54\pdata\1
Mon May 06 23:23:17.606 CEST 2019: Solvent of PROTON: H2O
Mon May 06 23:23:17.622 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Mon May 06 23:23:17.637 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Mon May 06 23:23:17.653 CEST 2019: No HSQC data available
Mon May 06 23:23:17.669 CEST 2019: No C13 data available
Mon May 06 23:23:17.700 CEST 2019: No HMBC data available
Mon May 06 23:23:17.700 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon May 06 23:23:17.762 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.04 s.
Mon May 06 23:23:18.654 CEST 2019: Structure is used: true
Mon May 06 23:23:18.670 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/iNEXT_G2_Plate8/54/E06.mol
Mon May 06 23:23:18.685 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.92 s.
Mon May 06 23:23:18.701 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon May 06 23:23:18.717 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon May 06 23:23:18.717 CEST 2019: Spectrum is not 13C decoupled.
Mon May 06 23:23:18.732 CEST 2019: Spectrum does not contain ERETIC signal.
Mon May 06 23:23:18.748 CEST 2019: Spectrum is suppressed.
Mon May 06 23:23:18.748 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Mon May 06 23:23:18.763 CEST 2019: Suppression frequencies at: 4.650 
Mon May 06 23:23:18.779 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Mon May 06 23:23:18.779 CEST 2019: Expected impurity: TSP
Mon May 06 23:23:18.795 CEST 2019: Expected impurity: DMSO_D5
Mon May 06 23:23:18.810 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]
Mon May 06 23:23:18.810 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]
Mon May 06 23:23:18.826 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.05 s.
Mon May 06 23:23:18.842 CEST 2019: RMSD noise: 688.106 (8.886/8.386)
Mon May 06 23:23:18.842 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Mon May 06 23:23:18.857 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon May 06 23:23:18.873 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 06 23:23:18.920 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.03 s.
Mon May 06 23:23:19.107 CEST 2019: Number of Peaks: (42, 6)
Mon May 06 23:23:19.138 CEST 2019: Elapsed time for evaluation (PP Suite): 0.20 s.
Mon May 06 23:23:19.138 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon May 06 23:23:19.154 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 06 23:23:19.154 CEST 2019: Signal-to-Noise ratio: 224.98 (2.317 ppm)
Mon May 06 23:23:19.170 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Mon May 06 23:23:19.185 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 06 23:23:19.185 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.50 s.
Mon May 06 23:23:19.232 CEST 2019: Number of Multiplets: 72
Mon May 06 23:23:19.248 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.05 s.
Mon May 06 23:23:19.343 CEST 2019: Number of Peak Cluster: 14
Mon May 06 23:23:19.343 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.09 s.
Mon May 06 23:23:19.405 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.05 s.
Mon May 06 23:23:19.844 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.43 s.
Mon May 06 23:23:19.891 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.01 s.
Mon May 06 23:23:19.907 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon May 06 23:23:19.922 CEST 2019: Number of consistent PNS: 0
Mon May 06 23:23:19.922 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.02 s.
Mon May 06 23:23:19.938 CEST 2019: Number of consistent PNS: 30
Mon May 06 23:23:19.954 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.02 s.
Mon May 06 23:23:19.969 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon May 06 23:23:19.985 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 06 23:23:20.943 CEST 2019: Elapsed time for evaluation (BU Suite): 1.00 s.
Mon May 06 23:23:20.959 CEST 2019: CMC-assist project state: AutoInconsistent
Mon May 06 23:23:20.974 CEST 2019: INCONSISTENT: No or only invalid ProtonNumberSolutions.
Mon May 06 23:23:21.707 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.76 s.
Mon May 06 23:23:21.722 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 06 23:23:21.722 CEST 2019: CMC-q finished in 4.13 s.
