Mon May 13 13:33:21.102 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Mon May 13 13:33:21.112 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P2_C12\1\pdata\1
Mon May 13 13:33:21.133 CEST 2019: Solvent of PROTON: H2O
Mon May 13 13:33:21.142 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Mon May 13 13:33:21.152 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Mon May 13 13:33:21.172 CEST 2019: No HSQC data available
Mon May 13 13:33:21.192 CEST 2019: No C13 data available
Mon May 13 13:33:21.202 CEST 2019: No HMBC data available
Mon May 13 13:33:21.218 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon May 13 13:33:21.292 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.07 s.
Mon May 13 13:33:21.792 CEST 2019: Structure is used: true
Mon May 13 13:33:21.802 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P2_C12/1/0110705820.mol
Mon May 13 13:33:21.812 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.51 s.
Mon May 13 13:33:21.822 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon May 13 13:33:21.833 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon May 13 13:33:21.842 CEST 2019: Spectrum is not 13C decoupled.
Mon May 13 13:33:21.852 CEST 2019: Spectrum does not contain ERETIC signal.
Mon May 13 13:33:21.852 CEST 2019: Spectrum is suppressed.
Mon May 13 13:33:21.862 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.02 s.
Mon May 13 13:33:21.872 CEST 2019: Suppression frequencies at: 4.650 
Mon May 13 13:33:21.882 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Mon May 13 13:33:21.892 CEST 2019: Expected impurity: TSP
Mon May 13 13:33:21.902 CEST 2019: Expected impurity: DMSO_D5
Mon May 13 13:33:21.912 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 13:33:21.922 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 13:33:21.922 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.04 s.
Mon May 13 13:33:21.934 CEST 2019: RMSD noise: 651.057 (8.886/8.386)
Mon May 13 13:33:21.942 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Mon May 13 13:33:21.962 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.01 s.
Mon May 13 13:33:21.982 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 13 13:33:22.027 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.03 s.
Mon May 13 13:33:22.202 CEST 2019: Number of Peaks: (46, 7)
Mon May 13 13:33:22.212 CEST 2019: Elapsed time for evaluation (PP Suite): 0.17 s.
Mon May 13 13:33:22.212 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon May 13 13:33:22.222 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 13 13:33:22.234 CEST 2019: Signal-to-Noise ratio: 296.05 (3.801 ppm)
Mon May 13 13:33:22.242 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Mon May 13 13:33:22.252 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 13 13:33:22.262 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.44 s.
Mon May 13 13:33:22.302 CEST 2019: Number of Multiplets: 89
Mon May 13 13:33:22.312 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.04 s.
Mon May 13 13:33:22.392 CEST 2019: Number of Peak Cluster: 18
Mon May 13 13:33:22.402 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.08 s.
Mon May 13 13:33:22.562 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.16 s.
Mon May 13 13:33:22.902 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.33 s.
Mon May 13 13:33:22.912 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Mon May 13 13:33:22.922 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon May 13 13:33:22.935 CEST 2019: Number of consistent PNS: 0
Mon May 13 13:33:22.942 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.01 s.
Mon May 13 13:33:22.962 CEST 2019: Number of consistent PNS: 35
Mon May 13 13:33:22.982 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.04 s.
Mon May 13 13:33:23.012 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.01 s.
Mon May 13 13:33:23.022 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 13 13:33:23.512 CEST 2019: Elapsed time for evaluation (BU Suite): 0.56 s.
Mon May 13 13:33:23.542 CEST 2019: CMC-assist project state: AutoInconsistent
Mon May 13 13:33:23.542 CEST 2019: INCONSISTENT: No or only invalid ProtonNumberSolutions.
Mon May 13 13:33:24.202 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.68 s.
Mon May 13 13:33:24.212 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 13 13:33:24.222 CEST 2019: CMC-q finished in 3.12 s.
