Wed May 08 12:22:02.037 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Wed May 08 12:22:02.037 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P6_74\1\pdata\1
Wed May 08 12:22:02.068 CEST 2019: Solvent of PROTON: H2O
Wed May 08 12:22:02.068 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Wed May 08 12:22:02.084 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Wed May 08 12:22:02.148 CEST 2019: No HSQC data available
Wed May 08 12:22:02.210 CEST 2019: No C13 data available
Wed May 08 12:22:02.288 CEST 2019: No HMBC data available
Wed May 08 12:22:02.288 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Wed May 08 12:22:02.362 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.06 s.
Wed May 08 12:22:02.972 CEST 2019: Structure is used: true
Wed May 08 12:22:03.003 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P6_74/1/G02.mol
Wed May 08 12:22:03.019 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.63 s.
Wed May 08 12:22:03.059 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Wed May 08 12:22:03.059 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Wed May 08 12:22:03.075 CEST 2019: Spectrum is not 13C decoupled.
Wed May 08 12:22:03.075 CEST 2019: Spectrum does not contain ERETIC signal.
Wed May 08 12:22:03.090 CEST 2019: Spectrum is suppressed.
Wed May 08 12:22:03.106 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Wed May 08 12:22:03.106 CEST 2019: Suppression frequencies at: 4.650 
Wed May 08 12:22:03.122 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Wed May 08 12:22:03.137 CEST 2019: Expected impurity: TSP
Wed May 08 12:22:03.153 CEST 2019: Expected impurity: DMSO_D5
Wed May 08 12:22:03.154 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]
Wed May 08 12:22:03.170 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]
Wed May 08 12:22:03.183 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.04 s.
Wed May 08 12:22:03.188 CEST 2019: RMSD noise: 672.516 (10.704/10.204)
Wed May 08 12:22:03.188 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Wed May 08 12:22:03.203 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Wed May 08 12:22:03.219 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 12:22:03.266 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.04 s.
Wed May 08 12:22:03.658 CEST 2019: Number of Peaks: (114, 19)
Wed May 08 12:22:03.689 CEST 2019: Elapsed time for evaluation (PP Suite): 0.41 s.
Wed May 08 12:22:03.705 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Wed May 08 12:22:03.705 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 12:22:03.720 CEST 2019: Signal-to-Noise ratio: 92.72 (1.091 ppm)
Wed May 08 12:22:03.720 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Wed May 08 12:22:03.736 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 12:22:03.751 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.71 s.
Wed May 08 12:22:03.892 CEST 2019: Number of Multiplets: 206
Wed May 08 12:22:03.908 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.15 s.
Wed May 08 12:22:04.095 CEST 2019: Number of Peak Cluster: 32
Wed May 08 12:22:04.111 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.20 s.
Wed May 08 12:22:04.158 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.04 s.
Wed May 08 12:22:04.799 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.63 s.
Wed May 08 12:22:04.862 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.05 s.
Wed May 08 12:22:04.877 CEST 2019: Elapsed time for evaluation (PE Suite): 0.01 s.
Wed May 08 12:22:04.893 CEST 2019: Number of consistent PNS: 0
Wed May 08 12:22:04.908 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.01 s.
Wed May 08 12:22:04.986 CEST 2019: Number of consistent PNS: 115
Wed May 08 12:22:05.002 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.08 s.
Wed May 08 12:22:05.033 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.02 s.
Wed May 08 12:22:05.033 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 12:22:08.876 CEST 2019: Elapsed time for evaluation (BU Suite): 3.96 s.
Wed May 08 12:22:08.916 CEST 2019: CMC-assist project state: AutoInconsistent
Wed May 08 12:22:08.916 CEST 2019: INCONSISTENT: No or only invalid ProtonNumberSolutions.
Wed May 08 12:22:09.777 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.90 s.
Wed May 08 12:22:09.793 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 12:22:09.793 CEST 2019: CMC-q finished in 7.76 s.
