Mon May 13 13:33:09.187 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Mon May 13 13:33:09.192 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P2_C11\1\pdata\1
Mon May 13 13:33:09.212 CEST 2019: Solvent of PROTON: H2O
Mon May 13 13:33:09.222 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Mon May 13 13:33:09.232 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Mon May 13 13:33:09.252 CEST 2019: No HSQC data available
Mon May 13 13:33:09.272 CEST 2019: No C13 data available
Mon May 13 13:33:09.282 CEST 2019: No HMBC data available
Mon May 13 13:33:09.292 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon May 13 13:33:09.332 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.03 s.
Mon May 13 13:33:09.752 CEST 2019: Structure is used: true
Mon May 13 13:33:09.782 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P2_C11/1/0110705821.mol
Mon May 13 13:33:09.792 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.45 s.
Mon May 13 13:33:09.802 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon May 13 13:33:09.812 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon May 13 13:33:09.822 CEST 2019: Spectrum is not 13C decoupled.
Mon May 13 13:33:09.822 CEST 2019: Spectrum does not contain ERETIC signal.
Mon May 13 13:33:09.832 CEST 2019: Spectrum is suppressed.
Mon May 13 13:33:09.842 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.02 s.
Mon May 13 13:33:09.852 CEST 2019: Suppression frequencies at: 4.650 
Mon May 13 13:33:09.852 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Mon May 13 13:33:09.872 CEST 2019: Expected impurity: TSP
Mon May 13 13:33:09.872 CEST 2019: Expected impurity: DMSO_D5
Mon May 13 13:33:09.882 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 13:33:09.892 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 13:33:09.902 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.04 s.
Mon May 13 13:33:09.902 CEST 2019: RMSD noise: 691.085 (10.704/10.204)
Mon May 13 13:33:09.912 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Mon May 13 13:33:09.922 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon May 13 13:33:09.932 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 13 13:33:09.972 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.03 s.
Mon May 13 13:33:10.102 CEST 2019: Number of Peaks: (28, 10)
Mon May 13 13:33:10.122 CEST 2019: Elapsed time for evaluation (PP Suite): 0.14 s.
Mon May 13 13:33:10.132 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon May 13 13:33:10.142 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 13 13:33:10.142 CEST 2019: Signal-to-Noise ratio: 230.73 (3.270 ppm)
Mon May 13 13:33:10.162 CEST 2019: Elapsed time for evaluation (SND Suite): 0.02 s.
Mon May 13 13:33:10.172 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 13 13:33:10.182 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.38 s.
Mon May 13 13:33:10.202 CEST 2019: Number of Multiplets: 56
Mon May 13 13:33:10.212 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.02 s.
Mon May 13 13:33:10.272 CEST 2019: Number of Peak Cluster: 14
Mon May 13 13:33:10.282 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.06 s.
Mon May 13 13:33:10.352 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.06 s.
Mon May 13 13:33:10.632 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.27 s.
Mon May 13 13:33:10.642 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Mon May 13 13:33:10.652 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon May 13 13:33:10.662 CEST 2019: Number of consistent PNS: 0
Mon May 13 13:33:10.672 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.01 s.
Mon May 13 13:33:10.682 CEST 2019: Number of consistent PNS: 25
Mon May 13 13:33:10.692 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.01 s.
Mon May 13 13:33:10.702 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.01 s.
Mon May 13 13:33:10.712 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 13 13:33:11.042 CEST 2019: Elapsed time for evaluation (BU Suite): 0.36 s.
Mon May 13 13:33:11.062 CEST 2019: CMC-assist project state: AutoInconsistent
Mon May 13 13:33:11.072 CEST 2019: INCONSISTENT: No or only invalid ProtonNumberSolutions.
Mon May 13 13:33:11.723 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.67 s.
Mon May 13 13:33:11.734 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 13 13:33:11.742 CEST 2019: CMC-q finished in 2.56 s.
