Mon May 06 22:48:42.772 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Mon May 06 22:48:42.788 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\iNEXT_G2_Plate7\36\pdata\1
Mon May 06 22:48:42.796 CEST 2019: Solvent of PROTON: H2O
Mon May 06 22:48:42.811 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Mon May 06 22:48:42.827 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Mon May 06 22:48:42.843 CEST 2019: No HSQC data available
Mon May 06 22:48:42.858 CEST 2019: No C13 data available
Mon May 06 22:48:42.890 CEST 2019: No HMBC data available
Mon May 06 22:48:42.905 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon May 06 22:48:42.952 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.05 s.
Mon May 06 22:48:43.800 CEST 2019: Structure is used: true
Mon May 06 22:48:43.815 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/iNEXT_G2_Plate7/36/C12.mol
Mon May 06 22:48:43.815 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.84 s.
Mon May 06 22:48:43.847 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon May 06 22:48:43.847 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon May 06 22:48:43.862 CEST 2019: Spectrum is not 13C decoupled.
Mon May 06 22:48:43.878 CEST 2019: Spectrum does not contain ERETIC signal.
Mon May 06 22:48:43.893 CEST 2019: Spectrum is suppressed.
Mon May 06 22:48:43.909 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Mon May 06 22:48:43.909 CEST 2019: Suppression frequencies at: 4.650 
Mon May 06 22:48:43.925 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Mon May 06 22:48:43.940 CEST 2019: Expected impurity: TSP
Mon May 06 22:48:43.940 CEST 2019: Expected impurity: DMSO_D5
Mon May 06 22:48:43.956 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 22:48:43.972 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 22:48:43.987 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.05 s.
Mon May 06 22:48:43.987 CEST 2019: RMSD noise: 691.374 (-0.203/-0.703)
Mon May 06 22:48:44.003 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Mon May 06 22:48:44.018 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon May 06 22:48:44.018 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 06 22:48:44.065 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.03 s.
Mon May 06 22:48:44.487 CEST 2019: Number of Peaks: (102, 56)
Mon May 06 22:48:44.487 CEST 2019: Elapsed time for evaluation (PP Suite): 0.42 s.
Mon May 06 22:48:44.503 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon May 06 22:48:44.518 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 06 22:48:44.518 CEST 2019: Signal-to-Noise ratio: 2445.51 (3.067 ppm)
Mon May 06 22:48:44.534 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Mon May 06 22:48:44.550 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 06 22:48:44.565 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.73 s.
Mon May 06 22:48:44.690 CEST 2019: Number of Multiplets: 259
Mon May 06 22:48:44.706 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.13 s.
Mon May 06 22:48:44.878 CEST 2019: Number of Peak Cluster: 27
Mon May 06 22:48:44.893 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.18 s.
Mon May 06 22:48:44.956 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.06 s.
Mon May 06 22:48:45.487 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.52 s.
Mon May 06 22:48:45.549 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.03 s.
Mon May 06 22:48:45.565 CEST 2019: Elapsed time for evaluation (PE Suite): 0.01 s.
Mon May 06 22:48:45.581 CEST 2019: Number of consistent PNS: 0
Mon May 06 22:48:45.596 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.02 s.
Mon May 06 22:48:45.643 CEST 2019: Number of consistent PNS: 60
Mon May 06 22:48:45.659 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.05 s.
Mon May 06 22:48:45.706 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.05 s.
Mon May 06 22:48:45.721 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 06 22:48:47.236 CEST 2019: Elapsed time for evaluation (BU Suite): 1.64 s.
Mon May 06 22:48:47.283 CEST 2019: CMC-assist project state: AutoInconsistent
Mon May 06 22:48:47.299 CEST 2019: INCONSISTENT: No or only invalid ProtonNumberSolutions.
Mon May 06 22:48:48.033 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.78 s.
Mon May 06 22:48:48.049 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 06 22:48:48.064 CEST 2019: CMC-q finished in 5.29 s.
