Mon May 06 22:45:26.551 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Mon May 06 22:45:26.566 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\iNEXT_G2_Plate7\27\pdata\1
Mon May 06 22:45:26.582 CEST 2019: Solvent of PROTON: H2O
Mon May 06 22:45:26.598 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Mon May 06 22:45:26.598 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Mon May 06 22:45:26.629 CEST 2019: No HSQC data available
Mon May 06 22:45:26.646 CEST 2019: No C13 data available
Mon May 06 22:45:26.661 CEST 2019: No HMBC data available
Mon May 06 22:45:26.677 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon May 06 22:45:26.724 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.04 s.
Mon May 06 22:45:27.209 CEST 2019: Structure is used: true
Mon May 06 22:45:27.241 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/iNEXT_G2_Plate7/27/C03.mol
Mon May 06 22:45:27.256 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.52 s.
Mon May 06 22:45:27.272 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon May 06 22:45:27.288 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon May 06 22:45:27.288 CEST 2019: Spectrum is not 13C decoupled.
Mon May 06 22:45:27.303 CEST 2019: Spectrum does not contain ERETIC signal.
Mon May 06 22:45:27.303 CEST 2019: Spectrum is suppressed.
Mon May 06 22:45:27.319 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Mon May 06 22:45:27.334 CEST 2019: Suppression frequencies at: 4.650 
Mon May 06 22:45:27.334 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Mon May 06 22:45:27.350 CEST 2019: Expected impurity: TSP
Mon May 06 22:45:27.366 CEST 2019: Expected impurity: DMSO_D5
Mon May 06 22:45:27.381 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 22:45:27.381 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 22:45:27.397 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.05 s.
Mon May 06 22:45:27.413 CEST 2019: RMSD noise: 660.267 (-0.203/-0.703)
Mon May 06 22:45:27.413 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Mon May 06 22:45:27.428 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon May 06 22:45:27.444 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 06 22:45:27.491 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.04 s.
Mon May 06 22:45:27.772 CEST 2019: Number of Peaks: (58, 16)
Mon May 06 22:45:27.772 CEST 2019: Elapsed time for evaluation (PP Suite): 0.27 s.
Mon May 06 22:45:27.787 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon May 06 22:45:27.787 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 06 22:45:27.803 CEST 2019: Signal-to-Noise ratio: 4787.60 (2.272 ppm)
Mon May 06 22:45:27.819 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Mon May 06 22:45:27.819 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 06 22:45:27.834 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.57 s.
Mon May 06 22:45:27.912 CEST 2019: Number of Multiplets: 113
Mon May 06 22:45:27.928 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.09 s.
Mon May 06 22:45:28.055 CEST 2019: Number of Peak Cluster: 21
Mon May 06 22:45:28.055 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.11 s.
Mon May 06 22:45:28.148 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.07 s.
Mon May 06 22:45:28.618 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.47 s.
Mon May 06 22:45:28.649 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.01 s.
Mon May 06 22:45:28.649 CEST 2019: Elapsed time for evaluation (PE Suite): 0.01 s.
Mon May 06 22:45:28.665 CEST 2019: Number of consistent PNS: 0
Mon May 06 22:45:28.681 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.01 s.
Mon May 06 22:45:28.696 CEST 2019: Number of consistent PNS: 20
Mon May 06 22:45:28.712 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.02 s.
Mon May 06 22:45:28.728 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.01 s.
Mon May 06 22:45:28.743 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 06 22:45:29.639 CEST 2019: Elapsed time for evaluation (BU Suite): 0.94 s.
Mon May 06 22:45:29.654 CEST 2019: CMC-assist project state: AutoInconsistent
Mon May 06 22:45:29.670 CEST 2019: INCONSISTENT: No or only invalid ProtonNumberSolutions.
Mon May 06 22:45:30.373 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.73 s.
Mon May 06 22:45:30.389 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 06 22:45:30.389 CEST 2019: CMC-q finished in 3.84 s.
