Wed May 08 10:56:28.569 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Wed May 08 10:56:28.585 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P5_54\1\pdata\1
Wed May 08 10:56:28.616 CEST 2019: Solvent of PROTON: H2O
Wed May 08 10:56:28.632 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Wed May 08 10:56:28.647 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Wed May 08 10:56:28.679 CEST 2019: No HSQC data available
Wed May 08 10:56:28.727 CEST 2019: No C13 data available
Wed May 08 10:56:28.774 CEST 2019: No HMBC data available
Wed May 08 10:56:28.789 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Wed May 08 10:56:28.847 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.05 s.
Wed May 08 10:56:29.679 CEST 2019: Structure is used: true
Wed May 08 10:56:29.726 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P5_54/1/E06.mol
Wed May 08 10:56:29.726 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.86 s.
Wed May 08 10:56:29.758 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Wed May 08 10:56:29.774 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Wed May 08 10:56:29.774 CEST 2019: Spectrum is not 13C decoupled.
Wed May 08 10:56:29.789 CEST 2019: Spectrum does not contain ERETIC signal.
Wed May 08 10:56:29.805 CEST 2019: Spectrum is suppressed.
Wed May 08 10:56:29.805 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Wed May 08 10:56:29.820 CEST 2019: Suppression frequencies at: 4.650 
Wed May 08 10:56:29.836 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Wed May 08 10:56:29.852 CEST 2019: Expected impurity: TSP
Wed May 08 10:56:29.852 CEST 2019: Expected impurity: DMSO_D5
Wed May 08 10:56:29.868 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]
Wed May 08 10:56:29.868 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]
Wed May 08 10:56:29.884 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.05 s.
Wed May 08 10:56:29.900 CEST 2019: RMSD noise: 694.515 (5.856/5.357)
Wed May 08 10:56:29.900 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Wed May 08 10:56:29.915 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Wed May 08 10:56:29.931 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 10:56:29.978 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.04 s.
Wed May 08 10:56:30.259 CEST 2019: Number of Peaks: (58, 12)
Wed May 08 10:56:30.259 CEST 2019: Elapsed time for evaluation (PP Suite): 0.27 s.
Wed May 08 10:56:30.275 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Wed May 08 10:56:30.290 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 10:56:30.290 CEST 2019: Signal-to-Noise ratio: 4528.28 (1.066 ppm)
Wed May 08 10:56:30.306 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Wed May 08 10:56:30.322 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 10:56:30.322 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.59 s.
Wed May 08 10:56:30.384 CEST 2019: Number of Multiplets: 96
Wed May 08 10:56:30.400 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.06 s.
Wed May 08 10:56:30.493 CEST 2019: Number of Peak Cluster: 17
Wed May 08 10:56:30.509 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.10 s.
Wed May 08 10:56:30.696 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.17 s.
Wed May 08 10:56:31.196 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.49 s.
Wed May 08 10:56:31.228 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.01 s.
Wed May 08 10:56:31.243 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Wed May 08 10:56:31.259 CEST 2019: Number of consistent PNS: 1
Wed May 08 10:56:31.274 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.02 s.
Wed May 08 10:56:31.290 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Wed May 08 10:56:31.806 CEST 2019: Number of ASL: 200
Wed May 08 10:56:31.821 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 0.53 s.
Wed May 08 10:56:32.430 CEST 2019: Elapsed time for evaluation (IN Suite): 0.60 s.
Wed May 08 10:56:32.466 CEST 2019: CMC-assist project state: AutoConsistent
Wed May 08 10:56:33.264 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.82 s.
Wed May 08 10:56:33.280 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 10:56:33.280 CEST 2019: CMC-q finished in 4.71 s.
