Wed May 08 11:28:14.628 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Wed May 08 11:28:14.628 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P5_75\1\pdata\1
Wed May 08 11:28:14.659 CEST 2019: Solvent of PROTON: H2O
Wed May 08 11:28:14.674 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Wed May 08 11:28:14.674 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Wed May 08 11:28:14.737 CEST 2019: No HSQC data available
Wed May 08 11:28:14.784 CEST 2019: No C13 data available
Wed May 08 11:28:14.831 CEST 2019: No HMBC data available
Wed May 08 11:28:14.831 CEST 2019: Elapsed time for evaluation (XD Suite): 0.01 s.
Wed May 08 11:28:14.893 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.05 s.
Wed May 08 11:28:15.551 CEST 2019: Structure is used: true
Wed May 08 11:28:15.597 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P5_75/1/G03.mol
Wed May 08 11:28:15.597 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.69 s.
Wed May 08 11:28:15.641 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.03 s.
Wed May 08 11:28:15.657 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Wed May 08 11:28:15.657 CEST 2019: Spectrum is not 13C decoupled.
Wed May 08 11:28:15.672 CEST 2019: Spectrum does not contain ERETIC signal.
Wed May 08 11:28:15.688 CEST 2019: Spectrum is suppressed.
Wed May 08 11:28:15.688 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Wed May 08 11:28:15.704 CEST 2019: Suppression frequencies at: 4.650 
Wed May 08 11:28:15.704 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Wed May 08 11:28:15.719 CEST 2019: Expected impurity: TSP
Wed May 08 11:28:15.735 CEST 2019: Expected impurity: DMSO_D5
Wed May 08 11:28:15.752 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]
Wed May 08 11:28:15.752 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]
Wed May 08 11:28:15.767 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.04 s.
Wed May 08 11:28:15.795 CEST 2019: RMSD noise: 703.930 (1.009/0.509)
Wed May 08 11:28:15.795 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Wed May 08 11:28:15.810 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Wed May 08 11:28:15.826 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 11:28:15.873 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.03 s.
Wed May 08 11:28:16.155 CEST 2019: Number of Peaks: (60, 35)
Wed May 08 11:28:16.155 CEST 2019: Elapsed time for evaluation (PP Suite): 0.28 s.
Wed May 08 11:28:16.171 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Wed May 08 11:28:16.187 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 11:28:16.187 CEST 2019: Signal-to-Noise ratio: 3645.32 (1.883 ppm)
Wed May 08 11:28:16.202 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Wed May 08 11:28:16.218 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 11:28:16.218 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.61 s.
Wed May 08 11:28:16.296 CEST 2019: Number of Multiplets: 139
Wed May 08 11:28:16.312 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.08 s.
Wed May 08 11:28:16.765 CEST 2019: Number of Peak Cluster: 17
Wed May 08 11:28:16.780 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.46 s.
Wed May 08 11:28:16.999 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.21 s.
Wed May 08 11:28:17.530 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.52 s.
Wed May 08 11:28:17.577 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.01 s.
Wed May 08 11:28:17.592 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Wed May 08 11:28:17.608 CEST 2019: Number of consistent PNS: 6
Wed May 08 11:28:17.623 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.03 s.
Wed May 08 11:28:17.640 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.01 s.
Wed May 08 11:28:29.611 CEST 2019: Number of ASL: 402
Wed May 08 11:28:29.626 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 11.97 s.
Wed May 08 11:28:31.143 CEST 2019: Elapsed time for evaluation (IN Suite): 1.52 s.
Wed May 08 11:28:31.195 CEST 2019: CMC-assist project state: AutoConsistent
Wed May 08 11:28:32.019 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.86 s.
Wed May 08 11:28:32.035 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 11:28:32.050 CEST 2019: CMC-q finished in 17.42 s.
