Wed May 08 11:19:14.916 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Wed May 08 11:19:14.931 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P5_59\1\pdata\1
Wed May 08 11:19:14.947 CEST 2019: Solvent of PROTON: H2O
Wed May 08 11:19:14.962 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Wed May 08 11:19:14.978 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Wed May 08 11:19:15.041 CEST 2019: No HSQC data available
Wed May 08 11:19:15.087 CEST 2019: No C13 data available
Wed May 08 11:19:15.119 CEST 2019: No HMBC data available
Wed May 08 11:19:15.134 CEST 2019: Elapsed time for evaluation (XD Suite): 0.01 s.
Wed May 08 11:19:15.197 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.05 s.
Wed May 08 11:19:15.995 CEST 2019: Structure is used: true
Wed May 08 11:19:16.026 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P5_59/1/E11.mol
Wed May 08 11:19:16.026 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.82 s.
Wed May 08 11:19:16.070 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.03 s.
Wed May 08 11:19:16.086 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Wed May 08 11:19:16.086 CEST 2019: Spectrum is not 13C decoupled.
Wed May 08 11:19:16.101 CEST 2019: Spectrum does not contain ERETIC signal.
Wed May 08 11:19:16.117 CEST 2019: Spectrum is suppressed.
Wed May 08 11:19:16.117 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Wed May 08 11:19:16.132 CEST 2019: Suppression frequencies at: 4.650 
Wed May 08 11:19:16.132 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Wed May 08 11:19:16.148 CEST 2019: Expected impurity: TSP
Wed May 08 11:19:16.164 CEST 2019: Expected impurity: DMSO_D5
Wed May 08 11:19:16.179 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 11:19:16.179 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 11:19:16.195 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.04 s.
Wed May 08 11:19:16.212 CEST 2019: RMSD noise: 658.222 (6.462/5.963)
Wed May 08 11:19:16.212 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Wed May 08 11:19:16.227 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Wed May 08 11:19:16.243 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 11:19:16.274 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.03 s.
Wed May 08 11:19:16.477 CEST 2019: Number of Peaks: (44, 6)
Wed May 08 11:19:16.509 CEST 2019: Elapsed time for evaluation (PP Suite): 0.21 s.
Wed May 08 11:19:16.509 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Wed May 08 11:19:16.524 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 11:19:16.540 CEST 2019: Signal-to-Noise ratio: 3828.45 (3.818 ppm)
Wed May 08 11:19:16.540 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Wed May 08 11:19:16.564 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 11:19:16.574 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.52 s.
Wed May 08 11:19:16.609 CEST 2019: Number of Multiplets: 79
Wed May 08 11:19:16.625 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.04 s.
Wed May 08 11:19:16.720 CEST 2019: Number of Peak Cluster: 21
Wed May 08 11:19:16.736 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.10 s.
Wed May 08 11:19:16.939 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.20 s.
Wed May 08 11:19:17.282 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.33 s.
Wed May 08 11:19:17.282 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Wed May 08 11:19:17.298 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Wed May 08 11:19:17.314 CEST 2019: Number of consistent PNS: 0
Wed May 08 11:19:17.329 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.01 s.
Wed May 08 11:19:17.345 CEST 2019: Number of consistent PNS: 25
Wed May 08 11:19:17.360 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.02 s.
Wed May 08 11:19:17.376 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.01 s.
Wed May 08 11:19:17.392 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 11:19:17.798 CEST 2019: Elapsed time for evaluation (BU Suite): 0.46 s.
Wed May 08 11:19:17.833 CEST 2019: CMC-assist project state: AutoInconsistent
Wed May 08 11:19:17.848 CEST 2019: INCONSISTENT: No or only invalid ProtonNumberSolutions.
Wed May 08 11:19:18.569 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.76 s.
Wed May 08 11:19:18.584 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 11:19:18.600 CEST 2019: CMC-q finished in 3.68 s.
