Mon May 13 13:56:15.039 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Mon May 13 13:56:15.039 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P3_A08\1\pdata\1
Mon May 13 13:56:15.059 CEST 2019: Solvent of PROTON: H2O
Mon May 13 13:56:15.069 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Mon May 13 13:56:15.079 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Mon May 13 13:56:15.099 CEST 2019: No HSQC data available
Mon May 13 13:56:15.119 CEST 2019: No C13 data available
Mon May 13 13:56:15.139 CEST 2019: No HMBC data available
Mon May 13 13:56:15.149 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon May 13 13:56:15.199 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.04 s.
Mon May 13 13:56:15.529 CEST 2019: Structure is used: true
Mon May 13 13:56:15.569 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P3_A08/1/0110706040.mol
Mon May 13 13:56:15.579 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.37 s.
Mon May 13 13:56:15.589 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon May 13 13:56:15.599 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon May 13 13:56:15.609 CEST 2019: Spectrum is not 13C decoupled.
Mon May 13 13:56:15.619 CEST 2019: Spectrum does not contain ERETIC signal.
Mon May 13 13:56:15.629 CEST 2019: Spectrum is suppressed.
Mon May 13 13:56:15.639 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Mon May 13 13:56:15.649 CEST 2019: Suppression frequencies at: 4.650 
Mon May 13 13:56:15.659 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Mon May 13 13:56:15.669 CEST 2019: Expected impurity: TSP
Mon May 13 13:56:15.679 CEST 2019: Expected impurity: DMSO_D5
Mon May 13 13:56:15.689 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 13:56:15.689 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 13:56:15.699 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.04 s.
Mon May 13 13:56:15.709 CEST 2019: RMSD noise: 625.843 (-0.812/-1.312)
Mon May 13 13:56:15.719 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Mon May 13 13:56:15.729 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon May 13 13:56:15.739 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 13 13:56:15.779 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.03 s.
Mon May 13 13:56:16.014 CEST 2019: Number of Peaks: (77, 27)
Mon May 13 13:56:16.019 CEST 2019: Elapsed time for evaluation (PP Suite): 0.23 s.
Mon May 13 13:56:16.029 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon May 13 13:56:16.039 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 13 13:56:16.050 CEST 2019: Signal-to-Noise ratio: 2455.83 (3.050 ppm)
Mon May 13 13:56:16.059 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Mon May 13 13:56:16.059 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 13 13:56:16.069 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.49 s.
Mon May 13 13:56:16.144 CEST 2019: Number of Multiplets: 189
Mon May 13 13:56:16.169 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.09 s.
Mon May 13 13:56:16.289 CEST 2019: Number of Peak Cluster: 26
Mon May 13 13:56:16.299 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.12 s.
Mon May 13 13:56:16.359 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.06 s.
Mon May 13 13:56:16.729 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.35 s.
Mon May 13 13:56:16.744 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.01 s.
Mon May 13 13:56:16.759 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon May 13 13:56:16.769 CEST 2019: Number of consistent PNS: 0
Mon May 13 13:56:16.779 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.01 s.
Mon May 13 13:56:16.799 CEST 2019: Number of consistent PNS: 35
Mon May 13 13:56:16.819 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.03 s.
Mon May 13 13:56:16.859 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.03 s.
Mon May 13 13:56:16.859 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 13 13:56:17.689 CEST 2019: Elapsed time for evaluation (BU Suite): 0.90 s.
Mon May 13 13:56:17.709 CEST 2019: CMC-assist project state: AutoInconsistent
Mon May 13 13:56:17.719 CEST 2019: INCONSISTENT: No or only invalid ProtonNumberSolutions.
Mon May 13 13:56:18.389 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.69 s.
Mon May 13 13:56:18.409 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 13 13:56:18.419 CEST 2019: CMC-q finished in 3.39 s.
