Mon May 13 14:13:00.667 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Mon May 13 14:13:00.677 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P3_F07\1\pdata\1
Mon May 13 14:13:00.697 CEST 2019: Solvent of PROTON: H2O
Mon May 13 14:13:00.707 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Mon May 13 14:13:00.717 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Mon May 13 14:13:00.747 CEST 2019: No HSQC data available
Mon May 13 14:13:00.767 CEST 2019: No C13 data available
Mon May 13 14:13:00.791 CEST 2019: No HMBC data available
Mon May 13 14:13:00.797 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon May 13 14:13:00.857 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.05 s.
Mon May 13 14:13:01.897 CEST 2019: Structure is used: true
Mon May 13 14:13:01.907 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P3_F07/1/0110705982.mol
Mon May 13 14:13:01.917 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 1.03 s.
Mon May 13 14:13:01.937 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon May 13 14:13:01.947 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon May 13 14:13:01.957 CEST 2019: Spectrum is not 13C decoupled.
Mon May 13 14:13:01.977 CEST 2019: Spectrum does not contain ERETIC signal.
Mon May 13 14:13:01.992 CEST 2019: Spectrum is suppressed.
Mon May 13 14:13:01.997 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.04 s.
Mon May 13 14:13:02.007 CEST 2019: Suppression frequencies at: 4.650 
Mon May 13 14:13:02.017 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Mon May 13 14:13:02.027 CEST 2019: Expected impurity: TSP
Mon May 13 14:13:02.037 CEST 2019: Expected impurity: DMSO_D5
Mon May 13 14:13:02.047 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 14:13:02.057 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 14:13:02.067 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.04 s.
Mon May 13 14:13:02.077 CEST 2019: RMSD noise: 701.433 (9.492/8.992)
Mon May 13 14:13:02.092 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Mon May 13 14:13:02.107 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon May 13 14:13:02.117 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 13 14:13:02.167 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.04 s.
Mon May 13 14:13:02.797 CEST 2019: Number of Peaks: (112, 30)
Mon May 13 14:13:02.807 CEST 2019: Elapsed time for evaluation (PP Suite): 0.63 s.
Mon May 13 14:13:02.817 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon May 13 14:13:02.828 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 13 14:13:02.837 CEST 2019: Signal-to-Noise ratio: 1227.78 (4.081 ppm)
Mon May 13 14:13:02.852 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Mon May 13 14:13:02.857 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 13 14:13:02.867 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.94 s.
Mon May 13 14:13:03.182 CEST 2019: Number of Multiplets: 293
Mon May 13 14:13:03.193 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.31 s.
Mon May 13 14:13:03.447 CEST 2019: Number of Peak Cluster: 28
Mon May 13 14:13:03.457 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.25 s.
Mon May 13 14:13:03.586 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.12 s.
Mon May 13 14:13:04.537 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.94 s.
Mon May 13 14:13:04.569 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Mon May 13 14:13:04.579 CEST 2019: Elapsed time for evaluation (PE Suite): 0.01 s.
Mon May 13 14:13:04.617 CEST 2019: Number of consistent PNS: 8
Mon May 13 14:13:04.627 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.03 s.
Mon May 13 14:13:04.661 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.02 s.
Mon May 13 14:13:13.747 CEST 2019: Number of ASL: 96
Mon May 13 14:13:13.761 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 9.09 s.
Mon May 13 14:13:18.149 CEST 2019: Elapsed time for evaluation (IN Suite): 4.38 s.
Mon May 13 14:13:18.172 CEST 2019: CMC-assist project state: AutoConsistent
Mon May 13 14:13:18.182 CEST 2019: Impurity 13C satellite filter active!
Mon May 13 14:13:18.981 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.82 s.
Mon May 13 14:13:18.989 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 13 14:13:19.002 CEST 2019: CMC-q finished in 18.34 s.
