Wed May 08 16:02:25.367 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Wed May 08 16:02:25.367 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P4_A08\1\pdata\1
Wed May 08 16:02:25.383 CEST 2019: Solvent of PROTON: H2O
Wed May 08 16:02:25.398 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Wed May 08 16:02:25.414 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Wed May 08 16:02:25.461 CEST 2019: No HSQC data available
Wed May 08 16:02:25.508 CEST 2019: No C13 data available
Wed May 08 16:02:25.555 CEST 2019: No HMBC data available
Wed May 08 16:02:25.555 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Wed May 08 16:02:25.617 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.04 s.
Wed May 08 16:02:26.280 CEST 2019: Structure is used: true
Wed May 08 16:02:26.296 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P4_A08/1/A08.mol
Wed May 08 16:02:26.312 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.69 s.
Wed May 08 16:02:26.334 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Wed May 08 16:02:26.351 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Wed May 08 16:02:26.351 CEST 2019: Spectrum is not 13C decoupled.
Wed May 08 16:02:26.367 CEST 2019: Spectrum does not contain ERETIC signal.
Wed May 08 16:02:26.367 CEST 2019: Spectrum is suppressed.
Wed May 08 16:02:26.382 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Wed May 08 16:02:26.398 CEST 2019: Suppression frequencies at: 4.650 
Wed May 08 16:02:26.398 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Wed May 08 16:02:26.414 CEST 2019: Expected impurity: TSP
Wed May 08 16:02:26.434 CEST 2019: Expected impurity: DMSO_D5
Wed May 08 16:02:26.434 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 16:02:26.449 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 16:02:26.465 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.05 s.
Wed May 08 16:02:26.465 CEST 2019: RMSD noise: 675.172 (10.704/10.204)
Wed May 08 16:02:26.481 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Wed May 08 16:02:26.496 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Wed May 08 16:02:26.512 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 16:02:26.550 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.04 s.
Wed May 08 16:02:26.814 CEST 2019: Number of Peaks: (67, 10)
Wed May 08 16:02:26.834 CEST 2019: Elapsed time for evaluation (PP Suite): 0.27 s.
Wed May 08 16:02:26.834 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Wed May 08 16:02:26.850 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 16:02:26.866 CEST 2019: Signal-to-Noise ratio: 4413.38 (0.869 ppm)
Wed May 08 16:02:26.881 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Wed May 08 16:02:26.881 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 16:02:26.897 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.57 s.
Wed May 08 16:02:26.947 CEST 2019: Number of Multiplets: 102
Wed May 08 16:02:26.957 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.05 s.
Wed May 08 16:02:27.099 CEST 2019: Number of Peak Cluster: 26
Wed May 08 16:02:27.109 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.14 s.
Wed May 08 16:02:27.210 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.10 s.
Wed May 08 16:02:27.698 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.47 s.
Wed May 08 16:02:27.718 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.01 s.
Wed May 08 16:02:27.738 CEST 2019: Elapsed time for evaluation (PE Suite): 0.01 s.
Wed May 08 16:02:27.749 CEST 2019: Number of consistent PNS: 0
Wed May 08 16:02:27.759 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.01 s.
Wed May 08 16:02:27.779 CEST 2019: Number of consistent PNS: 30
Wed May 08 16:02:27.789 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.02 s.
Wed May 08 16:02:27.809 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.01 s.
Wed May 08 16:02:27.819 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 16:02:28.651 CEST 2019: Elapsed time for evaluation (BU Suite): 0.88 s.
Wed May 08 16:02:28.671 CEST 2019: CMC-assist project state: AutoInconsistent
Wed May 08 16:02:28.681 CEST 2019: INCONSISTENT: No or only invalid ProtonNumberSolutions.
Wed May 08 16:02:29.492 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.83 s.
Wed May 08 16:02:29.507 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 16:02:29.524 CEST 2019: CMC-q finished in 4.16 s.
