Mon May 06 23:22:44.853 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Mon May 06 23:22:44.868 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\iNEXT_G2_Plate8\52\pdata\1
Mon May 06 23:22:44.884 CEST 2019: Solvent of PROTON: H2O
Mon May 06 23:22:44.915 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Mon May 06 23:22:44.915 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Mon May 06 23:22:44.947 CEST 2019: No HSQC data available
Mon May 06 23:22:44.962 CEST 2019: No C13 data available
Mon May 06 23:22:44.978 CEST 2019: No HMBC data available
Mon May 06 23:22:44.993 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon May 06 23:22:45.064 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.06 s.
Mon May 06 23:22:45.706 CEST 2019: Structure is used: true
Mon May 06 23:22:45.737 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/iNEXT_G2_Plate8/52/E04.mol
Mon May 06 23:22:45.737 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.67 s.
Mon May 06 23:22:45.752 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon May 06 23:22:45.768 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon May 06 23:22:45.784 CEST 2019: Spectrum is not 13C decoupled.
Mon May 06 23:22:45.784 CEST 2019: Spectrum does not contain ERETIC signal.
Mon May 06 23:22:45.799 CEST 2019: Spectrum is suppressed.
Mon May 06 23:22:45.815 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Mon May 06 23:22:45.815 CEST 2019: Suppression frequencies at: 4.650 
Mon May 06 23:22:45.831 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Mon May 06 23:22:45.846 CEST 2019: Expected impurity: TSP
Mon May 06 23:22:45.862 CEST 2019: Expected impurity: DMSO_D5
Mon May 06 23:22:45.862 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 23:22:45.877 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 23:22:45.893 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.05 s.
Mon May 06 23:22:45.893 CEST 2019: RMSD noise: 692.966 (-0.812/-1.312)
Mon May 06 23:22:45.909 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Mon May 06 23:22:45.924 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon May 06 23:22:45.940 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 06 23:22:45.971 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.03 s.
Mon May 06 23:22:46.252 CEST 2019: Number of Peaks: (62, 20)
Mon May 06 23:22:46.268 CEST 2019: Elapsed time for evaluation (PP Suite): 0.28 s.
Mon May 06 23:22:46.283 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon May 06 23:22:46.283 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 06 23:22:46.299 CEST 2019: Signal-to-Noise ratio: 1059.10 (3.455 ppm)
Mon May 06 23:22:46.315 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Mon May 06 23:22:46.315 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 06 23:22:46.330 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.58 s.
Mon May 06 23:22:46.393 CEST 2019: Number of Multiplets: 134
Mon May 06 23:22:46.424 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.08 s.
Mon May 06 23:22:46.533 CEST 2019: Number of Peak Cluster: 18
Mon May 06 23:22:46.533 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.11 s.
Mon May 06 23:22:46.643 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.10 s.
Mon May 06 23:22:47.080 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.42 s.
Mon May 06 23:22:47.111 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.01 s.
Mon May 06 23:22:47.127 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon May 06 23:22:47.143 CEST 2019: Number of consistent PNS: 4
Mon May 06 23:22:47.158 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.02 s.
Mon May 06 23:22:47.174 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon May 06 23:22:47.268 CEST 2019: Number of ASL: 2
Mon May 06 23:22:47.299 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 0.12 s.
Mon May 06 23:22:47.892 CEST 2019: Elapsed time for evaluation (IN Suite): 0.58 s.
Mon May 06 23:22:47.908 CEST 2019: CMC-assist project state: AutoConsistent
Mon May 06 23:22:47.924 CEST 2019: Impurity 13C satellite filter active!
Mon May 06 23:22:48.666 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.77 s.
Mon May 06 23:22:48.666 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 06 23:22:48.681 CEST 2019: CMC-q finished in 3.83 s.
