Mon May 13 13:47:46.880 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Mon May 13 13:47:46.890 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P2_H02\1\pdata\1
Mon May 13 13:47:46.900 CEST 2019: Solvent of PROTON: H2O
Mon May 13 13:47:46.920 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Mon May 13 13:47:46.920 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Mon May 13 13:47:46.940 CEST 2019: No HSQC data available
Mon May 13 13:47:46.960 CEST 2019: No C13 data available
Mon May 13 13:47:46.980 CEST 2019: No HMBC data available
Mon May 13 13:47:46.990 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon May 13 13:47:47.030 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.04 s.
Mon May 13 13:47:47.350 CEST 2019: Structure is used: true
Mon May 13 13:47:47.380 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P2_H02/1/0110705761.mol
Mon May 13 13:47:47.390 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.35 s.
Mon May 13 13:47:47.400 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon May 13 13:47:47.410 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon May 13 13:47:47.420 CEST 2019: Spectrum is not 13C decoupled.
Mon May 13 13:47:47.430 CEST 2019: Spectrum does not contain ERETIC signal.
Mon May 13 13:47:47.440 CEST 2019: Spectrum is suppressed.
Mon May 13 13:47:47.440 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.02 s.
Mon May 13 13:47:47.450 CEST 2019: Suppression frequencies at: 4.650 
Mon May 13 13:47:47.460 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Mon May 13 13:47:47.470 CEST 2019: Expected impurity: TSP
Mon May 13 13:47:47.480 CEST 2019: Expected impurity: DMSO_D5
Mon May 13 13:47:47.490 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 13:47:47.496 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 13:47:47.500 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.03 s.
Mon May 13 13:47:47.510 CEST 2019: RMSD noise: 705.874 (8.886/8.386)
Mon May 13 13:47:47.520 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Mon May 13 13:47:47.530 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon May 13 13:47:47.540 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 13 13:47:47.575 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.03 s.
Mon May 13 13:47:47.730 CEST 2019: Number of Peaks: (41, 19)
Mon May 13 13:47:47.740 CEST 2019: Elapsed time for evaluation (PP Suite): 0.16 s.
Mon May 13 13:47:47.750 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon May 13 13:47:47.750 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 13 13:47:47.760 CEST 2019: Signal-to-Noise ratio: 2426.27 (2.336 ppm)
Mon May 13 13:47:47.770 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Mon May 13 13:47:47.780 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 13 13:47:47.790 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.39 s.
Mon May 13 13:47:47.821 CEST 2019: Number of Multiplets: 104
Mon May 13 13:47:47.830 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.04 s.
Mon May 13 13:47:47.900 CEST 2019: Number of Peak Cluster: 16
Mon May 13 13:47:47.910 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.07 s.
Mon May 13 13:47:47.950 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.03 s.
Mon May 13 13:47:48.255 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.30 s.
Mon May 13 13:47:48.280 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Mon May 13 13:47:48.296 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon May 13 13:47:48.300 CEST 2019: Number of consistent PNS: 4
Mon May 13 13:47:48.310 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.01 s.
Mon May 13 13:47:48.320 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon May 13 13:47:48.435 CEST 2019: Number of ASL: 84
Mon May 13 13:47:48.440 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 0.11 s.
Mon May 13 13:47:48.945 CEST 2019: Elapsed time for evaluation (IN Suite): 0.50 s.
Mon May 13 13:47:48.960 CEST 2019: CMC-assist project state: AutoConsistent
Mon May 13 13:47:49.520 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.57 s.
Mon May 13 13:47:49.530 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 13 13:47:49.540 CEST 2019: CMC-q finished in 2.66 s.
