Mon May 06 22:54:19.168 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Mon May 06 22:54:19.184 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\iNEXT_G2_Plate7\51\pdata\1
Mon May 06 22:54:19.199 CEST 2019: Solvent of PROTON: H2O
Mon May 06 22:54:19.215 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Mon May 06 22:54:19.215 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Mon May 06 22:54:19.246 CEST 2019: No HSQC data available
Mon May 06 22:54:19.262 CEST 2019: No C13 data available
Mon May 06 22:54:19.293 CEST 2019: No HMBC data available
Mon May 06 22:54:19.293 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon May 06 22:54:19.354 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.04 s.
Mon May 06 22:54:19.999 CEST 2019: Structure is used: true
Mon May 06 22:54:20.030 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/iNEXT_G2_Plate7/51/E03.mol
Mon May 06 22:54:20.030 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.68 s.
Mon May 06 22:54:20.046 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon May 06 22:54:20.061 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon May 06 22:54:20.077 CEST 2019: Spectrum is not 13C decoupled.
Mon May 06 22:54:20.077 CEST 2019: Spectrum does not contain ERETIC signal.
Mon May 06 22:54:20.092 CEST 2019: Spectrum is suppressed.
Mon May 06 22:54:20.108 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Mon May 06 22:54:20.119 CEST 2019: Suppression frequencies at: 4.650 
Mon May 06 22:54:20.120 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Mon May 06 22:54:20.135 CEST 2019: Expected impurity: TSP
Mon May 06 22:54:20.151 CEST 2019: Expected impurity: DMSO_D5
Mon May 06 22:54:20.151 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 22:54:20.167 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 22:54:20.167 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.04 s.
Mon May 06 22:54:20.182 CEST 2019: RMSD noise: 651.128 (-0.812/-1.312)
Mon May 06 22:54:20.198 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Mon May 06 22:54:20.213 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon May 06 22:54:20.213 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 06 22:54:20.260 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.03 s.
Mon May 06 22:54:20.637 CEST 2019: Number of Peaks: (87, 21)
Mon May 06 22:54:20.652 CEST 2019: Elapsed time for evaluation (PP Suite): 0.37 s.
Mon May 06 22:54:20.652 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon May 06 22:54:20.668 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 06 22:54:20.683 CEST 2019: Signal-to-Noise ratio: 1660.70 (1.239 ppm)
Mon May 06 22:54:20.683 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Mon May 06 22:54:20.699 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 06 22:54:20.715 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.67 s.
Mon May 06 22:54:20.855 CEST 2019: Number of Multiplets: 224
Mon May 06 22:54:20.871 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.14 s.
Mon May 06 22:54:21.043 CEST 2019: Number of Peak Cluster: 21
Mon May 06 22:54:21.075 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.20 s.
Mon May 06 22:54:21.138 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.06 s.
Mon May 06 22:54:21.780 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.63 s.
Mon May 06 22:54:21.811 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.02 s.
Mon May 06 22:54:21.826 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon May 06 22:54:21.858 CEST 2019: Number of consistent PNS: 0
Mon May 06 22:54:21.858 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.02 s.
Mon May 06 22:54:21.889 CEST 2019: Number of consistent PNS: 45
Mon May 06 22:54:21.905 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.03 s.
Mon May 06 22:54:21.967 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.04 s.
Mon May 06 22:54:21.967 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 06 22:54:25.084 CEST 2019: Elapsed time for evaluation (BU Suite): 3.21 s.
Mon May 06 22:54:25.115 CEST 2019: CMC-assist project state: AutoInconsistent
Mon May 06 22:54:25.131 CEST 2019: INCONSISTENT: No or only invalid ProtonNumberSolutions.
Mon May 06 22:54:25.930 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.83 s.
Mon May 06 22:54:25.962 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 06 22:54:25.962 CEST 2019: CMC-q finished in 6.79 s.
