Mon May 13 13:58:58.879 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Mon May 13 13:58:58.889 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P3_B07\1\pdata\1
Mon May 13 13:58:58.909 CEST 2019: Solvent of PROTON: H2O
Mon May 13 13:58:58.929 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Mon May 13 13:58:58.939 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Mon May 13 13:58:58.959 CEST 2019: No HSQC data available
Mon May 13 13:58:58.987 CEST 2019: No C13 data available
Mon May 13 13:58:59.009 CEST 2019: No HMBC data available
Mon May 13 13:58:59.019 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon May 13 13:58:59.069 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.04 s.
Mon May 13 13:58:59.549 CEST 2019: Structure is used: true
Mon May 13 13:58:59.589 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P3_B07/1/0110705195.mol
Mon May 13 13:58:59.599 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.52 s.
Mon May 13 13:58:59.619 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon May 13 13:58:59.629 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon May 13 13:58:59.639 CEST 2019: Spectrum is not 13C decoupled.
Mon May 13 13:58:59.649 CEST 2019: Spectrum does not contain ERETIC signal.
Mon May 13 13:58:59.659 CEST 2019: Spectrum is suppressed.
Mon May 13 13:58:59.668 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Mon May 13 13:58:59.679 CEST 2019: Suppression frequencies at: 4.650 
Mon May 13 13:58:59.689 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Mon May 13 13:58:59.699 CEST 2019: Expected impurity: TSP
Mon May 13 13:58:59.714 CEST 2019: Expected impurity: DMSO_D5
Mon May 13 13:58:59.719 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 13:58:59.729 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 13:58:59.744 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.04 s.
Mon May 13 13:58:59.749 CEST 2019: RMSD noise: 652.092 (10.704/10.204)
Mon May 13 13:58:59.764 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Mon May 13 13:58:59.779 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon May 13 13:58:59.789 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 13 13:58:59.834 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.04 s.
Mon May 13 13:59:00.044 CEST 2019: Number of Peaks: (40, 20)
Mon May 13 13:59:00.059 CEST 2019: Elapsed time for evaluation (PP Suite): 0.21 s.
Mon May 13 13:59:00.069 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon May 13 13:59:00.079 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 13 13:59:00.089 CEST 2019: Signal-to-Noise ratio: 1614.42 (1.107 ppm)
Mon May 13 13:59:00.104 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Mon May 13 13:59:00.109 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 13 13:59:00.119 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.51 s.
Mon May 13 13:59:00.175 CEST 2019: Number of Multiplets: 89
Mon May 13 13:59:00.179 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.05 s.
Mon May 13 13:59:00.269 CEST 2019: Number of Peak Cluster: 13
Mon May 13 13:59:00.279 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.08 s.
Mon May 13 13:59:00.379 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.09 s.
Mon May 13 13:59:00.801 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.41 s.
Mon May 13 13:59:00.854 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.02 s.
Mon May 13 13:59:00.864 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon May 13 13:59:00.883 CEST 2019: Number of consistent PNS: 4
Mon May 13 13:59:00.893 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.01 s.
Mon May 13 13:59:00.905 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon May 13 13:59:01.501 CEST 2019: Number of ASL: 360
Mon May 13 13:59:01.513 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 0.60 s.
Mon May 13 13:59:02.215 CEST 2019: Elapsed time for evaluation (IN Suite): 0.69 s.
Mon May 13 13:59:02.239 CEST 2019: CMC-assist project state: AutoConsistent
Mon May 13 13:59:03.059 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.83 s.
Mon May 13 13:59:03.069 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 13 13:59:03.079 CEST 2019: CMC-q finished in 4.20 s.
