Wed May 08 11:52:29.141 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Wed May 08 11:52:29.157 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P6_20\1\pdata\1
Wed May 08 11:52:29.172 CEST 2019: Solvent of PROTON: H2O
Wed May 08 11:52:29.188 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Wed May 08 11:52:29.203 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Wed May 08 11:52:29.236 CEST 2019: No HSQC data available
Wed May 08 11:52:29.283 CEST 2019: No C13 data available
Wed May 08 11:52:29.314 CEST 2019: No HMBC data available
Wed May 08 11:52:29.330 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Wed May 08 11:52:29.424 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.09 s.
Wed May 08 11:52:29.879 CEST 2019: Structure is used: true
Wed May 08 11:52:29.894 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P6_20/1/B08.mol
Wed May 08 11:52:29.894 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.47 s.
Wed May 08 11:52:29.927 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Wed May 08 11:52:29.943 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Wed May 08 11:52:29.943 CEST 2019: Spectrum is not 13C decoupled.
Wed May 08 11:52:29.959 CEST 2019: Spectrum does not contain ERETIC signal.
Wed May 08 11:52:29.974 CEST 2019: Spectrum is suppressed.
Wed May 08 11:52:29.974 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Wed May 08 11:52:29.990 CEST 2019: Suppression frequencies at: 4.650 
Wed May 08 11:52:29.990 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Wed May 08 11:52:30.006 CEST 2019: Expected impurity: TSP
Wed May 08 11:52:30.021 CEST 2019: Expected impurity: DMSO_D5
Wed May 08 11:52:30.037 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 11:52:30.037 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 11:52:30.052 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.05 s.
Wed May 08 11:52:30.069 CEST 2019: RMSD noise: 660.808 (5.856/5.357)
Wed May 08 11:52:30.069 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Wed May 08 11:52:30.085 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Wed May 08 11:52:30.101 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 11:52:30.147 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.04 s.
Wed May 08 11:52:30.335 CEST 2019: Number of Peaks: (39, 14)
Wed May 08 11:52:30.335 CEST 2019: Elapsed time for evaluation (PP Suite): 0.19 s.
Wed May 08 11:52:30.350 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Wed May 08 11:52:30.366 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 11:52:30.366 CEST 2019: Signal-to-Noise ratio: 1638.26 (1.164 ppm)
Wed May 08 11:52:30.382 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Wed May 08 11:52:30.397 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 11:52:30.397 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.49 s.
Wed May 08 11:52:30.444 CEST 2019: Number of Multiplets: 87
Wed May 08 11:52:30.460 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.04 s.
Wed May 08 11:52:30.791 CEST 2019: Number of Peak Cluster: 11
Wed May 08 11:52:30.806 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.33 s.
Wed May 08 11:52:30.994 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.19 s.
Wed May 08 11:52:31.431 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.43 s.
Wed May 08 11:52:31.462 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Wed May 08 11:52:31.478 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Wed May 08 11:52:31.494 CEST 2019: Number of consistent PNS: 0
Wed May 08 11:52:31.509 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.01 s.
Wed May 08 11:52:31.525 CEST 2019: Number of consistent PNS: 20
Wed May 08 11:52:31.525 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.01 s.
Wed May 08 11:52:31.556 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.01 s.
Wed May 08 11:52:31.556 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 11:52:32.340 CEST 2019: Elapsed time for evaluation (BU Suite): 0.83 s.
Wed May 08 11:52:32.372 CEST 2019: CMC-assist project state: AutoInconsistent
Wed May 08 11:52:32.372 CEST 2019: INCONSISTENT: No or only invalid ProtonNumberSolutions.
Wed May 08 11:52:33.124 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.78 s.
Wed May 08 11:52:33.139 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 11:52:33.155 CEST 2019: CMC-q finished in 4.01 s.
