Wed May 08 09:22:41.826 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Wed May 08 09:22:41.826 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P1_39\1\pdata\1
Wed May 08 09:22:41.857 CEST 2019: Solvent of PROTON: H2O
Wed May 08 09:22:41.857 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Wed May 08 09:22:41.873 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Wed May 08 09:22:41.888 CEST 2019: No HSQC data available
Wed May 08 09:22:41.904 CEST 2019: No C13 data available
Wed May 08 09:22:41.920 CEST 2019: No HMBC data available
Wed May 08 09:22:41.935 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Wed May 08 09:22:41.998 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.03 s.
Wed May 08 09:22:42.453 CEST 2019: Structure is used: true
Wed May 08 09:22:42.486 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P1_39/1/20.mol
Wed May 08 09:22:42.486 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.49 s.
Wed May 08 09:22:42.502 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Wed May 08 09:22:42.517 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Wed May 08 09:22:42.517 CEST 2019: Spectrum is not 13C decoupled.
Wed May 08 09:22:42.533 CEST 2019: Spectrum does not contain ERETIC signal.
Wed May 08 09:22:42.533 CEST 2019: Spectrum is suppressed.
Wed May 08 09:22:42.549 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.02 s.
Wed May 08 09:22:42.549 CEST 2019: Suppression frequencies at: 4.650 
Wed May 08 09:22:42.564 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Wed May 08 09:22:42.564 CEST 2019: Expected impurity: TSP
Wed May 08 09:22:42.580 CEST 2019: Expected impurity: DMSO_D5
Wed May 08 09:22:42.580 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 09:22:42.595 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 09:22:42.595 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.04 s.
Wed May 08 09:22:42.611 CEST 2019: RMSD noise: 708.184 (0.403/-0.097)
Wed May 08 09:22:42.611 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Wed May 08 09:22:42.627 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Wed May 08 09:22:42.642 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 09:22:42.674 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.03 s.
Wed May 08 09:22:42.923 CEST 2019: Number of Peaks: (105, 12)
Wed May 08 09:22:42.939 CEST 2019: Elapsed time for evaluation (PP Suite): 0.27 s.
Wed May 08 09:22:42.955 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Wed May 08 09:22:42.955 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 09:22:42.970 CEST 2019: Signal-to-Noise ratio: 1511.94 (3.802 ppm)
Wed May 08 09:22:42.986 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Wed May 08 09:22:42.986 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 09:22:43.002 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.50 s.
Wed May 08 09:22:43.080 CEST 2019: Number of Multiplets: 191
Wed May 08 09:22:43.080 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.08 s.
Wed May 08 09:22:43.236 CEST 2019: Number of Peak Cluster: 34
Wed May 08 09:22:43.251 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.16 s.
Wed May 08 09:22:43.300 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.05 s.
Wed May 08 09:22:43.693 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.39 s.
Wed May 08 09:22:43.724 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.01 s.
Wed May 08 09:22:43.740 CEST 2019: Elapsed time for evaluation (PE Suite): 0.01 s.
Wed May 08 09:22:43.740 CEST 2019: Number of consistent PNS: 0
Wed May 08 09:22:43.756 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.01 s.
Wed May 08 09:22:43.771 CEST 2019: Number of consistent PNS: 55
Wed May 08 09:22:43.787 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.03 s.
Wed May 08 09:22:43.803 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.01 s.
Wed May 08 09:22:43.818 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 09:22:45.556 CEST 2019: Elapsed time for evaluation (BU Suite): 1.79 s.
Wed May 08 09:22:45.572 CEST 2019: CMC-assist project state: AutoInconsistent
Wed May 08 09:22:45.572 CEST 2019: INCONSISTENT: No or only invalid ProtonNumberSolutions.
Wed May 08 09:22:46.181 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.63 s.
Wed May 08 09:22:46.197 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 09:22:46.212 CEST 2019: CMC-q finished in 4.39 s.
