Wed May 08 16:25:14.436 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Wed May 08 16:25:14.436 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P4_G05\1\pdata\1
Wed May 08 16:25:14.469 CEST 2019: Solvent of PROTON: H2O
Wed May 08 16:25:14.469 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Wed May 08 16:25:14.485 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Wed May 08 16:25:14.532 CEST 2019: No HSQC data available
Wed May 08 16:25:14.580 CEST 2019: No C13 data available
Wed May 08 16:25:14.611 CEST 2019: No HMBC data available
Wed May 08 16:25:14.627 CEST 2019: Elapsed time for evaluation (XD Suite): 0.01 s.
Wed May 08 16:25:14.692 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.05 s.
Wed May 08 16:25:15.836 CEST 2019: Structure is used: true
Wed May 08 16:25:15.868 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P4_G05/1/G05.mol
Wed May 08 16:25:15.868 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 1.18 s.
Wed May 08 16:25:15.899 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Wed May 08 16:25:15.899 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Wed May 08 16:25:15.914 CEST 2019: Spectrum is not 13C decoupled.
Wed May 08 16:25:15.930 CEST 2019: Spectrum does not contain ERETIC signal.
Wed May 08 16:25:15.930 CEST 2019: Spectrum is suppressed.
Wed May 08 16:25:15.946 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Wed May 08 16:25:15.961 CEST 2019: Suppression frequencies at: 4.650 
Wed May 08 16:25:15.961 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Wed May 08 16:25:15.977 CEST 2019: Expected impurity: TSP
Wed May 08 16:25:15.993 CEST 2019: Expected impurity: DMSO_D5
Wed May 08 16:25:15.993 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 16:25:16.008 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 16:25:16.024 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.04 s.
Wed May 08 16:25:16.024 CEST 2019: RMSD noise: 652.808 (10.098/9.598)
Wed May 08 16:25:16.039 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Wed May 08 16:25:16.055 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Wed May 08 16:25:16.055 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 16:25:16.102 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.04 s.
Wed May 08 16:25:16.274 CEST 2019: Number of Peaks: (42, 9)
Wed May 08 16:25:16.289 CEST 2019: Elapsed time for evaluation (PP Suite): 0.17 s.
Wed May 08 16:25:16.305 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Wed May 08 16:25:16.305 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 16:25:16.321 CEST 2019: Signal-to-Noise ratio: 295.94 (0.907 ppm)
Wed May 08 16:25:16.336 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Wed May 08 16:25:16.336 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 16:25:16.352 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.46 s.
Wed May 08 16:25:16.383 CEST 2019: Number of Multiplets: 74
Wed May 08 16:25:16.383 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.03 s.
Wed May 08 16:25:16.477 CEST 2019: Number of Peak Cluster: 17
Wed May 08 16:25:16.477 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.09 s.
Wed May 08 16:25:16.524 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.03 s.
Wed May 08 16:25:16.947 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.42 s.
Wed May 08 16:25:16.994 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.03 s.
Wed May 08 16:25:17.009 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Wed May 08 16:25:17.040 CEST 2019: Number of consistent PNS: 5
Wed May 08 16:25:17.040 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.02 s.
Wed May 08 16:25:17.056 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Wed May 08 16:25:30.761 CEST 2019: Number of ASL: 410
Wed May 08 16:25:30.792 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 13.72 s.
Wed May 08 16:25:31.604 CEST 2019: Elapsed time for evaluation (IN Suite): 0.81 s.
Wed May 08 16:25:31.635 CEST 2019: CMC-assist project state: AutoConsistent
Wed May 08 16:25:32.466 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.85 s.
Wed May 08 16:25:32.482 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 16:25:32.497 CEST 2019: CMC-q finished in 18.06 s.
