Mon May 06 23:24:44.963 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Mon May 06 23:24:44.963 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\iNEXT_G2_Plate8\60\pdata\1
Mon May 06 23:24:44.994 CEST 2019: Solvent of PROTON: H2O
Mon May 06 23:24:44.994 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Mon May 06 23:24:45.010 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Mon May 06 23:24:45.028 CEST 2019: No HSQC data available
Mon May 06 23:24:45.059 CEST 2019: No C13 data available
Mon May 06 23:24:45.075 CEST 2019: No HMBC data available
Mon May 06 23:24:45.090 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon May 06 23:24:45.137 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.04 s.
Mon May 06 23:24:45.560 CEST 2019: Structure is used: true
Mon May 06 23:24:45.591 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/iNEXT_G2_Plate8/60/E12.mol
Mon May 06 23:24:45.591 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.45 s.
Mon May 06 23:24:45.623 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon May 06 23:24:45.623 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon May 06 23:24:45.638 CEST 2019: Spectrum is not 13C decoupled.
Mon May 06 23:24:45.638 CEST 2019: Spectrum does not contain ERETIC signal.
Mon May 06 23:24:45.654 CEST 2019: Spectrum is suppressed.
Mon May 06 23:24:45.669 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Mon May 06 23:24:45.669 CEST 2019: Suppression frequencies at: 4.650 
Mon May 06 23:24:45.685 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Mon May 06 23:24:45.701 CEST 2019: Expected impurity: TSP
Mon May 06 23:24:45.716 CEST 2019: Expected impurity: DMSO_D5
Mon May 06 23:24:45.716 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 23:24:45.732 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 23:24:45.748 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.05 s.
Mon May 06 23:24:45.748 CEST 2019: RMSD noise: 674.514 (10.098/9.598)
Mon May 06 23:24:45.763 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Mon May 06 23:24:45.779 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon May 06 23:24:45.779 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 06 23:24:45.826 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.03 s.
Mon May 06 23:24:45.997 CEST 2019: Number of Peaks: (37, 12)
Mon May 06 23:24:46.013 CEST 2019: Elapsed time for evaluation (PP Suite): 0.17 s.
Mon May 06 23:24:46.013 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon May 06 23:24:46.029 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 06 23:24:46.029 CEST 2019: Signal-to-Noise ratio: 2413.27 (3.856 ppm)
Mon May 06 23:24:46.044 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Mon May 06 23:24:46.060 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 06 23:24:46.076 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.46 s.
Mon May 06 23:24:46.107 CEST 2019: Number of Multiplets: 89
Mon May 06 23:24:46.122 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.04 s.
Mon May 06 23:24:46.201 CEST 2019: Number of Peak Cluster: 12
Mon May 06 23:24:46.216 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.08 s.
Mon May 06 23:24:46.404 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.18 s.
Mon May 06 23:24:46.749 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.34 s.
Mon May 06 23:24:46.765 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Mon May 06 23:24:46.780 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon May 06 23:24:46.796 CEST 2019: Number of consistent PNS: 1
Mon May 06 23:24:46.796 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.01 s.
Mon May 06 23:24:46.813 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.01 s.
Mon May 06 23:24:46.844 CEST 2019: Number of ASL: 2
Mon May 06 23:24:46.844 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 0.02 s.
Mon May 06 23:24:46.985 CEST 2019: Elapsed time for evaluation (IN Suite): 0.13 s.
Mon May 06 23:24:47.016 CEST 2019: CMC-assist project state: AutoConsistent
Mon May 06 23:24:47.031 CEST 2019: Impurity 13C satellite filter active!
Mon May 06 23:24:47.781 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.78 s.
Mon May 06 23:24:47.828 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 06 23:24:47.844 CEST 2019: CMC-q finished in 2.87 s.
