Mon May 13 14:00:12.750 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Mon May 13 14:00:12.758 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P3_B11\1\pdata\1
Mon May 13 14:00:12.779 CEST 2019: Solvent of PROTON: H2O
Mon May 13 14:00:12.794 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Mon May 13 14:00:12.799 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Mon May 13 14:00:12.829 CEST 2019: No HSQC data available
Mon May 13 14:00:12.850 CEST 2019: No C13 data available
Mon May 13 14:00:12.869 CEST 2019: No HMBC data available
Mon May 13 14:00:12.889 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon May 13 14:00:12.939 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.04 s.
Mon May 13 14:00:13.588 CEST 2019: Structure is used: true
Mon May 13 14:00:13.619 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P3_B11/1/0110706034.mol
Mon May 13 14:00:13.629 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.68 s.
Mon May 13 14:00:13.648 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon May 13 14:00:13.664 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon May 13 14:00:13.671 CEST 2019: Spectrum is not 13C decoupled.
Mon May 13 14:00:13.679 CEST 2019: Spectrum does not contain ERETIC signal.
Mon May 13 14:00:13.688 CEST 2019: Spectrum is suppressed.
Mon May 13 14:00:13.698 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Mon May 13 14:00:13.714 CEST 2019: Suppression frequencies at: 4.650 
Mon May 13 14:00:13.719 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Mon May 13 14:00:13.739 CEST 2019: Expected impurity: TSP
Mon May 13 14:00:13.749 CEST 2019: Expected impurity: DMSO_D5
Mon May 13 14:00:13.759 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 13 14:00:13.769 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 13 14:00:13.778 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.04 s.
Mon May 13 14:00:13.789 CEST 2019: RMSD noise: 658.874 (-0.812/-1.312)
Mon May 13 14:00:13.799 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Mon May 13 14:00:13.809 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon May 13 14:00:13.819 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 13 14:00:13.871 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.04 s.
Mon May 13 14:00:14.088 CEST 2019: Number of Peaks: (51, 10)
Mon May 13 14:00:14.108 CEST 2019: Elapsed time for evaluation (PP Suite): 0.22 s.
Mon May 13 14:00:14.119 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon May 13 14:00:14.129 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 13 14:00:14.139 CEST 2019: Signal-to-Noise ratio: 449.06 (4.246 ppm)
Mon May 13 14:00:14.149 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Mon May 13 14:00:14.158 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 13 14:00:14.171 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.53 s.
Mon May 13 14:00:14.229 CEST 2019: Number of Multiplets: 104
Mon May 13 14:00:14.239 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.06 s.
Mon May 13 14:00:14.348 CEST 2019: Number of Peak Cluster: 16
Mon May 13 14:00:14.359 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.11 s.
Mon May 13 14:00:14.493 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.13 s.
Mon May 13 14:00:14.939 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.43 s.
Mon May 13 14:00:14.979 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.01 s.
Mon May 13 14:00:14.989 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon May 13 14:00:15.009 CEST 2019: Number of consistent PNS: 1
Mon May 13 14:00:15.019 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.02 s.
Mon May 13 14:00:15.029 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.01 s.
Mon May 13 14:00:15.153 CEST 2019: Number of ASL: 24
Mon May 13 14:00:15.158 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 0.12 s.
Mon May 13 14:00:15.589 CEST 2019: Elapsed time for evaluation (IN Suite): 0.41 s.
Mon May 13 14:00:16.229 CEST 2019: Elapsed time for evaluation (BU Suite): 0.63 s.
Mon May 13 14:00:16.248 CEST 2019: CMC-assist project state: AutoInconsistent
Mon May 13 14:00:16.259 CEST 2019: INCONSISTENT: Only invalid AssignmentSolutions.
Mon May 13 14:00:17.029 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.79 s.
Mon May 13 14:00:17.039 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 13 14:00:17.049 CEST 2019: CMC-q finished in 4.30 s.
