Wed May 08 12:13:19.923 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Wed May 08 12:13:19.923 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P6_61\1\pdata\1
Wed May 08 12:13:19.954 CEST 2019: Solvent of PROTON: H2O
Wed May 08 12:13:19.970 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Wed May 08 12:13:19.970 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Wed May 08 12:13:20.017 CEST 2019: No HSQC data available
Wed May 08 12:13:20.049 CEST 2019: No C13 data available
Wed May 08 12:13:20.096 CEST 2019: No HMBC data available
Wed May 08 12:13:20.096 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Wed May 08 12:13:20.178 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.07 s.
Wed May 08 12:13:21.101 CEST 2019: Structure is used: true
Wed May 08 12:13:21.132 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P6_61/1/F01.mol
Wed May 08 12:13:21.132 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.95 s.
Wed May 08 12:13:21.177 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.03 s.
Wed May 08 12:13:21.192 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Wed May 08 12:13:21.192 CEST 2019: Spectrum is not 13C decoupled.
Wed May 08 12:13:21.208 CEST 2019: Spectrum does not contain ERETIC signal.
Wed May 08 12:13:21.208 CEST 2019: Spectrum is suppressed.
Wed May 08 12:13:21.223 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Wed May 08 12:13:21.239 CEST 2019: Suppression frequencies at: 4.650 
Wed May 08 12:13:21.239 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Wed May 08 12:13:21.255 CEST 2019: Expected impurity: TSP
Wed May 08 12:13:21.270 CEST 2019: Expected impurity: DMSO_D5
Wed May 08 12:13:21.270 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 12:13:21.287 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 12:13:21.303 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.04 s.
Wed May 08 12:13:21.303 CEST 2019: RMSD noise: 712.299 (10.098/9.598)
Wed May 08 12:13:21.318 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Wed May 08 12:13:21.334 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Wed May 08 12:13:21.334 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 12:13:21.381 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.03 s.
Wed May 08 12:13:21.646 CEST 2019: Number of Peaks: (79, 21)
Wed May 08 12:13:21.678 CEST 2019: Elapsed time for evaluation (PP Suite): 0.29 s.
Wed May 08 12:13:21.693 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Wed May 08 12:13:21.693 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 12:13:21.709 CEST 2019: Signal-to-Noise ratio: 2226.85 (2.223 ppm)
Wed May 08 12:13:21.725 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Wed May 08 12:13:21.725 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 12:13:21.740 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.59 s.
Wed May 08 12:13:21.787 CEST 2019: Number of Multiplets: 111
Wed May 08 12:13:21.803 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.05 s.
Wed May 08 12:13:21.959 CEST 2019: Number of Peak Cluster: 28
Wed May 08 12:13:21.990 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.17 s.
Wed May 08 12:13:22.084 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.09 s.
Wed May 08 12:13:22.554 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.46 s.
Wed May 08 12:13:22.585 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.01 s.
Wed May 08 12:13:22.600 CEST 2019: Elapsed time for evaluation (PE Suite): 0.01 s.
Wed May 08 12:13:22.616 CEST 2019: Number of consistent PNS: 0
Wed May 08 12:13:22.632 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.01 s.
Wed May 08 12:13:22.647 CEST 2019: Number of consistent PNS: 25
Wed May 08 12:13:22.647 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.02 s.
Wed May 08 12:13:22.679 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.02 s.
Wed May 08 12:13:22.694 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 12:13:24.147 CEST 2019: Elapsed time for evaluation (BU Suite): 1.52 s.
Wed May 08 12:13:24.198 CEST 2019: CMC-assist project state: AutoInconsistent
Wed May 08 12:13:24.198 CEST 2019: INCONSISTENT: No or only invalid ProtonNumberSolutions.
Wed May 08 12:13:25.012 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.85 s.
Wed May 08 12:13:25.028 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 12:13:25.028 CEST 2019: CMC-q finished in 5.11 s.
