Wed May 08 09:27:40.878 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Wed May 08 09:27:40.894 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P1_61\1\pdata\1
Wed May 08 09:27:40.909 CEST 2019: Solvent of PROTON: H2O
Wed May 08 09:27:40.925 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Wed May 08 09:27:40.925 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Wed May 08 09:27:40.956 CEST 2019: No HSQC data available
Wed May 08 09:27:40.972 CEST 2019: No C13 data available
Wed May 08 09:27:40.987 CEST 2019: No HMBC data available
Wed May 08 09:27:40.987 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Wed May 08 09:27:41.034 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.04 s.
Wed May 08 09:27:41.520 CEST 2019: Structure is used: true
Wed May 08 09:27:41.551 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P1_61/1/6.mol
Wed May 08 09:27:41.551 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.51 s.
Wed May 08 09:27:41.567 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Wed May 08 09:27:41.582 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Wed May 08 09:27:41.598 CEST 2019: Spectrum is not 13C decoupled.
Wed May 08 09:27:41.598 CEST 2019: Spectrum does not contain ERETIC signal.
Wed May 08 09:27:41.613 CEST 2019: Spectrum is suppressed.
Wed May 08 09:27:41.613 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.02 s.
Wed May 08 09:27:41.629 CEST 2019: Suppression frequencies at: 4.650 
Wed May 08 09:27:41.629 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Wed May 08 09:27:41.645 CEST 2019: Expected impurity: TSP
Wed May 08 09:27:41.660 CEST 2019: Expected impurity: DMSO_D5
Wed May 08 09:27:41.660 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 09:27:41.676 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 09:27:41.676 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.04 s.
Wed May 08 09:27:41.692 CEST 2019: RMSD noise: 643.345 (-0.812/-1.312)
Wed May 08 09:27:41.692 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Wed May 08 09:27:41.707 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Wed May 08 09:27:41.707 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 09:27:41.754 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.03 s.
Wed May 08 09:27:41.988 CEST 2019: Number of Peaks: (76, 11)
Wed May 08 09:27:42.004 CEST 2019: Elapsed time for evaluation (PP Suite): 0.25 s.
Wed May 08 09:27:42.020 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Wed May 08 09:27:42.020 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 09:27:42.035 CEST 2019: Signal-to-Noise ratio: 5285.94 (2.379 ppm)
Wed May 08 09:27:42.035 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Wed May 08 09:27:42.051 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 09:27:42.051 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.49 s.
Wed May 08 09:27:42.098 CEST 2019: Number of Multiplets: 114
Wed May 08 09:27:42.113 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.04 s.
Wed May 08 09:27:42.224 CEST 2019: Number of Peak Cluster: 29
Wed May 08 09:27:42.240 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.12 s.
Wed May 08 09:27:42.318 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.07 s.
Wed May 08 09:27:42.698 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.37 s.
Wed May 08 09:27:42.731 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.01 s.
Wed May 08 09:27:42.731 CEST 2019: Elapsed time for evaluation (PE Suite): 0.01 s.
Wed May 08 09:27:42.746 CEST 2019: Number of consistent PNS: 0
Wed May 08 09:27:42.762 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.01 s.
Wed May 08 09:27:42.766 CEST 2019: Number of consistent PNS: 20
Wed May 08 09:27:42.782 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.02 s.
Wed May 08 09:27:42.797 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Wed May 08 09:27:42.797 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 09:27:43.955 CEST 2019: Elapsed time for evaluation (BU Suite): 1.20 s.
Wed May 08 09:27:43.987 CEST 2019: CMC-assist project state: AutoInconsistent
Wed May 08 09:27:44.002 CEST 2019: INCONSISTENT: No or only invalid ProtonNumberSolutions.
Wed May 08 09:27:44.599 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.62 s.
Wed May 08 09:27:44.615 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 09:27:44.615 CEST 2019: CMC-q finished in 3.74 s.
