Mon May 13 14:07:56.738 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Mon May 13 14:07:56.748 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P3_E01\1\pdata\1
Mon May 13 14:07:56.777 CEST 2019: Solvent of PROTON: H2O
Mon May 13 14:07:56.792 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Mon May 13 14:07:56.797 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Mon May 13 14:07:56.833 CEST 2019: No HSQC data available
Mon May 13 14:07:56.858 CEST 2019: No C13 data available
Mon May 13 14:07:56.883 CEST 2019: No HMBC data available
Mon May 13 14:07:56.897 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon May 13 14:07:56.958 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.05 s.
Mon May 13 14:07:57.748 CEST 2019: Structure is used: true
Mon May 13 14:07:57.787 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P3_E01/1/0110705999.mol
Mon May 13 14:07:57.798 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.83 s.
Mon May 13 14:07:57.818 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon May 13 14:07:57.838 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon May 13 14:07:57.848 CEST 2019: Spectrum is not 13C decoupled.
Mon May 13 14:07:57.857 CEST 2019: Spectrum does not contain ERETIC signal.
Mon May 13 14:07:57.871 CEST 2019: Spectrum is suppressed.
Mon May 13 14:07:57.883 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Mon May 13 14:07:57.887 CEST 2019: Suppression frequencies at: 4.650 
Mon May 13 14:07:57.898 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Mon May 13 14:07:57.918 CEST 2019: Expected impurity: TSP
Mon May 13 14:07:57.928 CEST 2019: Expected impurity: DMSO_D5
Mon May 13 14:07:57.942 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 13 14:07:57.947 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 13 14:07:57.968 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.05 s.
Mon May 13 14:07:57.978 CEST 2019: RMSD noise: 710.199 (1.009/0.509)
Mon May 13 14:07:57.987 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Mon May 13 14:07:57.998 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon May 13 14:07:58.018 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 13 14:07:58.083 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.05 s.
Mon May 13 14:07:58.548 CEST 2019: Number of Peaks: (81, 16)
Mon May 13 14:07:58.558 CEST 2019: Elapsed time for evaluation (PP Suite): 0.47 s.
Mon May 13 14:07:58.578 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon May 13 14:07:58.587 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 13 14:07:58.597 CEST 2019: Signal-to-Noise ratio: 4391.54 (3.007 ppm)
Mon May 13 14:07:58.607 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Mon May 13 14:07:58.618 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 13 14:07:58.638 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.82 s.
Mon May 13 14:07:58.757 CEST 2019: Number of Multiplets: 138
Mon May 13 14:07:58.768 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.12 s.
Mon May 13 14:07:58.933 CEST 2019: Number of Peak Cluster: 20
Mon May 13 14:07:58.942 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.16 s.
Mon May 13 14:07:59.033 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.07 s.
Mon May 13 14:07:59.848 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.81 s.
Mon May 13 14:07:59.913 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.02 s.
Mon May 13 14:07:59.928 CEST 2019: Elapsed time for evaluation (PE Suite): 0.01 s.
Mon May 13 14:08:00.013 CEST 2019: Number of consistent PNS: 2
Mon May 13 14:08:00.083 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.10 s.
Mon May 13 14:08:00.104 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon May 13 14:08:10.438 CEST 2019: Number of ASL: 299
Mon May 13 14:08:10.458 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 10.34 s.
Mon May 13 14:08:11.707 CEST 2019: Elapsed time for evaluation (IN Suite): 1.24 s.
Mon May 13 14:08:11.728 CEST 2019: CMC-assist project state: AutoConsistent
Mon May 13 14:08:11.738 CEST 2019: Impurity 13C satellite filter active!
Mon May 13 14:08:12.608 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.89 s.
Mon May 13 14:08:12.627 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 13 14:08:12.637 CEST 2019: CMC-q finished in 15.90 s.
