Mon May 06 23:26:28.894 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Mon May 06 23:26:28.909 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\iNEXT_G2_Plate8\68\pdata\1
Mon May 06 23:26:28.925 CEST 2019: Solvent of PROTON: H2O
Mon May 06 23:26:28.942 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Mon May 06 23:26:28.958 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Mon May 06 23:26:28.973 CEST 2019: No HSQC data available
Mon May 06 23:26:28.989 CEST 2019: No C13 data available
Mon May 06 23:26:29.020 CEST 2019: No HMBC data available
Mon May 06 23:26:29.020 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon May 06 23:26:29.081 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.04 s.
Mon May 06 23:26:29.988 CEST 2019: Structure is used: true
Mon May 06 23:26:30.019 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/iNEXT_G2_Plate8/68/F08.mol
Mon May 06 23:26:30.019 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.94 s.
Mon May 06 23:26:30.050 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon May 06 23:26:30.050 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon May 06 23:26:30.066 CEST 2019: Spectrum is not 13C decoupled.
Mon May 06 23:26:30.066 CEST 2019: Spectrum does not contain ERETIC signal.
Mon May 06 23:26:30.082 CEST 2019: Spectrum is suppressed.
Mon May 06 23:26:30.099 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Mon May 06 23:26:30.099 CEST 2019: Suppression frequencies at: 4.650 
Mon May 06 23:26:30.114 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Mon May 06 23:26:30.130 CEST 2019: Expected impurity: TSP
Mon May 06 23:26:30.130 CEST 2019: Expected impurity: DMSO_D5
Mon May 06 23:26:30.146 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 23:26:30.161 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 23:26:30.161 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.05 s.
Mon May 06 23:26:30.177 CEST 2019: RMSD noise: 648.338 (-0.812/-1.312)
Mon May 06 23:26:30.192 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Mon May 06 23:26:30.192 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon May 06 23:26:30.208 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 06 23:26:30.255 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.03 s.
Mon May 06 23:26:30.584 CEST 2019: Number of Peaks: (80, 24)
Mon May 06 23:26:30.600 CEST 2019: Elapsed time for evaluation (PP Suite): 0.34 s.
Mon May 06 23:26:30.616 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon May 06 23:26:30.616 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 06 23:26:30.631 CEST 2019: Signal-to-Noise ratio: 1453.11 (0.855 ppm)
Mon May 06 23:26:30.631 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Mon May 06 23:26:30.647 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 06 23:26:30.662 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.62 s.
Mon May 06 23:26:30.787 CEST 2019: Number of Multiplets: 191
Mon May 06 23:26:30.803 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.13 s.
Mon May 06 23:26:30.944 CEST 2019: Number of Peak Cluster: 20
Mon May 06 23:26:30.975 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.16 s.
Mon May 06 23:26:31.303 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.33 s.
Mon May 06 23:26:31.854 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.54 s.
Mon May 06 23:26:31.916 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.02 s.
Mon May 06 23:26:31.932 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon May 06 23:26:31.947 CEST 2019: Number of consistent PNS: 0
Mon May 06 23:26:31.963 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.02 s.
Mon May 06 23:26:31.979 CEST 2019: Number of consistent PNS: 35
Mon May 06 23:26:31.994 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.02 s.
Mon May 06 23:26:32.074 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.07 s.
Mon May 06 23:26:32.074 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 06 23:26:34.169 CEST 2019: Elapsed time for evaluation (BU Suite): 2.20 s.
Mon May 06 23:26:34.201 CEST 2019: CMC-assist project state: AutoInconsistent
Mon May 06 23:26:34.210 CEST 2019: INCONSISTENT: No or only invalid ProtonNumberSolutions.
Mon May 06 23:26:34.960 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.77 s.
Mon May 06 23:26:34.970 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 06 23:26:34.980 CEST 2019: CMC-q finished in 6.09 s.
