Mon May 06 23:00:24.631 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Mon May 06 23:00:24.647 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\iNEXT_G2_Plate7\69\pdata\1
Mon May 06 23:00:24.662 CEST 2019: Solvent of PROTON: H2O
Mon May 06 23:00:24.678 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Mon May 06 23:00:24.678 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Mon May 06 23:00:24.709 CEST 2019: No HSQC data available
Mon May 06 23:00:24.727 CEST 2019: No C13 data available
Mon May 06 23:00:24.758 CEST 2019: No HMBC data available
Mon May 06 23:00:24.758 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon May 06 23:00:24.820 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.04 s.
Mon May 06 23:00:25.462 CEST 2019: Structure is used: true
Mon May 06 23:00:25.478 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/iNEXT_G2_Plate7/69/F09.mol
Mon May 06 23:00:25.493 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.67 s.
Mon May 06 23:00:25.509 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon May 06 23:00:25.525 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon May 06 23:00:25.525 CEST 2019: Spectrum is not 13C decoupled.
Mon May 06 23:00:25.540 CEST 2019: Spectrum does not contain ERETIC signal.
Mon May 06 23:00:25.556 CEST 2019: Spectrum is suppressed.
Mon May 06 23:00:25.556 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Mon May 06 23:00:25.571 CEST 2019: Suppression frequencies at: 4.650 
Mon May 06 23:00:25.587 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Mon May 06 23:00:25.603 CEST 2019: Expected impurity: TSP
Mon May 06 23:00:25.603 CEST 2019: Expected impurity: DMSO_D5
Mon May 06 23:00:25.618 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]
Mon May 06 23:00:25.634 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]
Mon May 06 23:00:25.634 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.05 s.
Mon May 06 23:00:25.660 CEST 2019: RMSD noise: 707.736 (5.856/5.357)
Mon May 06 23:00:25.660 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Mon May 06 23:00:25.675 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon May 06 23:00:25.691 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 06 23:00:25.738 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.04 s.
Mon May 06 23:00:25.911 CEST 2019: Number of Peaks: (27, 17)
Mon May 06 23:00:25.927 CEST 2019: Elapsed time for evaluation (PP Suite): 0.18 s.
Mon May 06 23:00:25.942 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon May 06 23:00:25.942 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 06 23:00:25.958 CEST 2019: Signal-to-Noise ratio: 745.00 (1.567 ppm)
Mon May 06 23:00:25.973 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Mon May 06 23:00:25.991 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 06 23:00:25.992 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.49 s.
Mon May 06 23:00:26.023 CEST 2019: Number of Multiplets: 64
Mon May 06 23:00:26.039 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.03 s.
Mon May 06 23:00:26.101 CEST 2019: Number of Peak Cluster: 9
Mon May 06 23:00:26.117 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.06 s.
Mon May 06 23:00:26.180 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.05 s.
Mon May 06 23:00:26.571 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.39 s.
Mon May 06 23:00:26.603 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Mon May 06 23:00:26.618 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon May 06 23:00:26.634 CEST 2019: Number of consistent PNS: 0
Mon May 06 23:00:26.649 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.01 s.
Mon May 06 23:00:26.665 CEST 2019: Number of consistent PNS: 20
Mon May 06 23:00:26.665 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.02 s.
Mon May 06 23:00:26.681 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon May 06 23:00:26.696 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 06 23:00:27.024 CEST 2019: Elapsed time for evaluation (BU Suite): 0.37 s.
Mon May 06 23:00:27.056 CEST 2019: CMC-assist project state: AutoInconsistent
Mon May 06 23:00:27.071 CEST 2019: INCONSISTENT: No or only invalid ProtonNumberSolutions.
Mon May 06 23:00:27.805 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.76 s.
Mon May 06 23:00:27.805 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 06 23:00:27.821 CEST 2019: CMC-q finished in 3.19 s.
