Mon May 13 13:49:34.870 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Mon May 13 13:49:34.880 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P2_H09\1\pdata\1
Mon May 13 13:49:34.900 CEST 2019: Solvent of PROTON: H2O
Mon May 13 13:49:34.910 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Mon May 13 13:49:34.920 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Mon May 13 13:49:34.940 CEST 2019: No HSQC data available
Mon May 13 13:49:34.960 CEST 2019: No C13 data available
Mon May 13 13:49:34.980 CEST 2019: No HMBC data available
Mon May 13 13:49:34.990 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon May 13 13:49:35.030 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.03 s.
Mon May 13 13:49:35.460 CEST 2019: Structure is used: true
Mon May 13 13:49:35.490 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P2_H09/1/0110705768.mol
Mon May 13 13:49:35.500 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.46 s.
Mon May 13 13:49:35.510 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon May 13 13:49:35.520 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon May 13 13:49:35.530 CEST 2019: Spectrum is not 13C decoupled.
Mon May 13 13:49:35.540 CEST 2019: Spectrum does not contain ERETIC signal.
Mon May 13 13:49:35.550 CEST 2019: Spectrum is suppressed.
Mon May 13 13:49:35.550 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.02 s.
Mon May 13 13:49:35.560 CEST 2019: Suppression frequencies at: 4.650 
Mon May 13 13:49:35.570 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Mon May 13 13:49:35.580 CEST 2019: Expected impurity: TSP
Mon May 13 13:49:35.590 CEST 2019: Expected impurity: DMSO_D5
Mon May 13 13:49:35.600 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 13:49:35.610 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 13:49:35.610 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.04 s.
Mon May 13 13:49:35.620 CEST 2019: RMSD noise: 691.616 (5.856/5.357)
Mon May 13 13:49:35.630 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Mon May 13 13:49:35.640 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon May 13 13:49:35.650 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 13 13:49:35.690 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.03 s.
Mon May 13 13:49:35.830 CEST 2019: Number of Peaks: (41, 8)
Mon May 13 13:49:35.830 CEST 2019: Elapsed time for evaluation (PP Suite): 0.14 s.
Mon May 13 13:49:35.840 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon May 13 13:49:35.850 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 13 13:49:35.860 CEST 2019: Signal-to-Noise ratio: 1018.27 (2.265 ppm)
Mon May 13 13:49:35.870 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Mon May 13 13:49:35.870 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 13 13:49:35.880 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.38 s.
Mon May 13 13:49:35.920 CEST 2019: Number of Multiplets: 76
Mon May 13 13:49:35.930 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.03 s.
Mon May 13 13:49:36.000 CEST 2019: Number of Peak Cluster: 15
Mon May 13 13:49:36.010 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.07 s.
Mon May 13 13:49:36.145 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.13 s.
Mon May 13 13:49:36.470 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.32 s.
Mon May 13 13:49:36.500 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Mon May 13 13:49:36.510 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon May 13 13:49:36.520 CEST 2019: Number of consistent PNS: 0
Mon May 13 13:49:36.530 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.01 s.
Mon May 13 13:49:36.545 CEST 2019: Number of consistent PNS: 20
Mon May 13 13:49:36.550 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.01 s.
Mon May 13 13:49:36.570 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.01 s.
Mon May 13 13:49:36.585 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 13 13:49:37.090 CEST 2019: Elapsed time for evaluation (BU Suite): 0.55 s.
Mon May 13 13:49:37.110 CEST 2019: CMC-assist project state: AutoInconsistent
Mon May 13 13:49:37.120 CEST 2019: INCONSISTENT: No or only invalid ProtonNumberSolutions.
Mon May 13 13:49:37.690 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.59 s.
Mon May 13 13:49:37.700 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 13 13:49:37.710 CEST 2019: CMC-q finished in 2.84 s.
