Mon May 06 22:56:00.935 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Mon May 06 22:56:00.935 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\iNEXT_G2_Plate7\57\pdata\1
Mon May 06 22:56:00.966 CEST 2019: Solvent of PROTON: H2O
Mon May 06 22:56:00.982 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Mon May 06 22:56:00.982 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Mon May 06 22:56:01.013 CEST 2019: No HSQC data available
Mon May 06 22:56:01.029 CEST 2019: No C13 data available
Mon May 06 22:56:01.060 CEST 2019: No HMBC data available
Mon May 06 22:56:01.060 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon May 06 22:56:01.119 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.04 s.
Mon May 06 22:56:01.558 CEST 2019: Structure is used: true
Mon May 06 22:56:01.589 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/iNEXT_G2_Plate7/57/E09.mol
Mon May 06 22:56:01.605 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.48 s.
Mon May 06 22:56:01.620 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon May 06 22:56:01.636 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon May 06 22:56:01.636 CEST 2019: Spectrum is not 13C decoupled.
Mon May 06 22:56:01.652 CEST 2019: Spectrum does not contain ERETIC signal.
Mon May 06 22:56:01.667 CEST 2019: Spectrum is suppressed.
Mon May 06 22:56:01.667 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Mon May 06 22:56:01.683 CEST 2019: Suppression frequencies at: 4.650 
Mon May 06 22:56:01.699 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Mon May 06 22:56:01.699 CEST 2019: Expected impurity: TSP
Mon May 06 22:56:01.714 CEST 2019: Expected impurity: DMSO_D5
Mon May 06 22:56:01.730 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 22:56:01.730 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 22:56:01.745 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.05 s.
Mon May 06 22:56:01.761 CEST 2019: RMSD noise: 686.998 (10.704/10.204)
Mon May 06 22:56:01.761 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Mon May 06 22:56:01.777 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon May 06 22:56:01.792 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 06 22:56:01.839 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.03 s.
Mon May 06 22:56:01.980 CEST 2019: Number of Peaks: (29, 26)
Mon May 06 22:56:01.995 CEST 2019: Elapsed time for evaluation (PP Suite): 0.15 s.
Mon May 06 22:56:02.011 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon May 06 22:56:02.011 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 06 22:56:02.027 CEST 2019: Signal-to-Noise ratio: 1035.60 (1.204 ppm)
Mon May 06 22:56:02.042 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Mon May 06 22:56:02.042 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 06 22:56:02.058 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.45 s.
Mon May 06 22:56:02.073 CEST 2019: Number of Multiplets: 48
Mon May 06 22:56:02.089 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.02 s.
Mon May 06 22:56:02.152 CEST 2019: Number of Peak Cluster: 14
Mon May 06 22:56:02.167 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.06 s.
Mon May 06 22:56:02.198 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.02 s.
Mon May 06 22:56:02.527 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.32 s.
Mon May 06 22:56:02.543 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Mon May 06 22:56:02.558 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon May 06 22:56:02.574 CEST 2019: Number of consistent PNS: 0
Mon May 06 22:56:02.605 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.05 s.
Mon May 06 22:56:02.621 CEST 2019: Number of consistent PNS: 30
Mon May 06 22:56:02.636 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.02 s.
Mon May 06 22:56:02.652 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon May 06 22:56:02.652 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 06 22:56:02.996 CEST 2019: Elapsed time for evaluation (BU Suite): 0.38 s.
Mon May 06 22:56:03.043 CEST 2019: CMC-assist project state: AutoInconsistent
Mon May 06 22:56:03.043 CEST 2019: INCONSISTENT: No or only invalid ProtonNumberSolutions.
Mon May 06 22:56:03.795 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.77 s.
Mon May 06 22:56:03.795 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 06 22:56:03.811 CEST 2019: CMC-q finished in 2.88 s.
