Mon May 13 13:48:36.730 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Mon May 13 13:48:36.740 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P2_H05\1\pdata\1
Mon May 13 13:48:36.760 CEST 2019: Solvent of PROTON: H2O
Mon May 13 13:48:36.780 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Mon May 13 13:48:36.780 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Mon May 13 13:48:36.800 CEST 2019: No HSQC data available
Mon May 13 13:48:36.830 CEST 2019: No C13 data available
Mon May 13 13:48:36.850 CEST 2019: No HMBC data available
Mon May 13 13:48:36.850 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon May 13 13:48:36.900 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.04 s.
Mon May 13 13:48:37.340 CEST 2019: Structure is used: true
Mon May 13 13:48:37.370 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P2_H05/1/0110705764.mol
Mon May 13 13:48:37.380 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.47 s.
Mon May 13 13:48:37.390 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon May 13 13:48:37.400 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon May 13 13:48:37.410 CEST 2019: Spectrum is not 13C decoupled.
Mon May 13 13:48:37.420 CEST 2019: Spectrum does not contain ERETIC signal.
Mon May 13 13:48:37.430 CEST 2019: Spectrum is suppressed.
Mon May 13 13:48:37.430 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.02 s.
Mon May 13 13:48:37.440 CEST 2019: Suppression frequencies at: 4.650 
Mon May 13 13:48:37.450 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Mon May 13 13:48:37.460 CEST 2019: Expected impurity: TSP
Mon May 13 13:48:37.470 CEST 2019: Expected impurity: DMSO_D5
Mon May 13 13:48:37.480 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 13:48:37.490 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 13:48:37.500 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.04 s.
Mon May 13 13:48:37.500 CEST 2019: RMSD noise: 671.034 (10.098/9.598)
Mon May 13 13:48:37.510 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Mon May 13 13:48:37.520 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon May 13 13:48:37.530 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 13 13:48:37.575 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.03 s.
Mon May 13 13:48:37.755 CEST 2019: Number of Peaks: (60, 11)
Mon May 13 13:48:37.760 CEST 2019: Elapsed time for evaluation (PP Suite): 0.18 s.
Mon May 13 13:48:37.770 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon May 13 13:48:37.780 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 13 13:48:37.790 CEST 2019: Signal-to-Noise ratio: 1845.46 (2.897 ppm)
Mon May 13 13:48:37.800 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Mon May 13 13:48:37.800 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 13 13:48:37.810 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.43 s.
Mon May 13 13:48:37.850 CEST 2019: Number of Multiplets: 108
Mon May 13 13:48:37.860 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.04 s.
Mon May 13 13:48:37.950 CEST 2019: Number of Peak Cluster: 23
Mon May 13 13:48:37.960 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.09 s.
Mon May 13 13:48:38.000 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.03 s.
Mon May 13 13:48:38.310 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.31 s.
Mon May 13 13:48:38.340 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Mon May 13 13:48:38.350 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon May 13 13:48:38.370 CEST 2019: Number of consistent PNS: 2
Mon May 13 13:48:38.381 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.01 s.
Mon May 13 13:48:38.390 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon May 13 13:48:41.284 CEST 2019: Number of ASL: 201
Mon May 13 13:48:41.300 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 2.90 s.
Mon May 13 13:48:41.700 CEST 2019: Elapsed time for evaluation (IN Suite): 0.39 s.
Mon May 13 13:48:42.250 CEST 2019: Elapsed time for evaluation (BU Suite): 0.55 s.
Mon May 13 13:48:42.280 CEST 2019: CMC-assist project state: AutoInconsistent
Mon May 13 13:48:42.284 CEST 2019: INCONSISTENT: Only invalid AssignmentSolutions.
Mon May 13 13:48:42.860 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.60 s.
Mon May 13 13:48:42.880 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 13 13:48:42.890 CEST 2019: CMC-q finished in 6.16 s.
