Wed May 08 12:03:20.899 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Wed May 08 12:03:20.899 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P6_43\1\pdata\1
Wed May 08 12:03:20.930 CEST 2019: Solvent of PROTON: H2O
Wed May 08 12:03:20.945 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Wed May 08 12:03:20.945 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Wed May 08 12:03:20.992 CEST 2019: No HSQC data available
Wed May 08 12:03:21.025 CEST 2019: No C13 data available
Wed May 08 12:03:21.056 CEST 2019: No HMBC data available
Wed May 08 12:03:21.072 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Wed May 08 12:03:21.147 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.06 s.
Wed May 08 12:03:21.539 CEST 2019: Structure is used: true
Wed May 08 12:03:21.555 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P6_43/1/D07.mol
Wed May 08 12:03:21.570 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.42 s.
Wed May 08 12:03:21.610 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.03 s.
Wed May 08 12:03:21.625 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Wed May 08 12:03:21.625 CEST 2019: Spectrum is not 13C decoupled.
Wed May 08 12:03:21.641 CEST 2019: Spectrum does not contain ERETIC signal.
Wed May 08 12:03:21.641 CEST 2019: Spectrum is suppressed.
Wed May 08 12:03:21.657 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Wed May 08 12:03:21.672 CEST 2019: Suppression frequencies at: 4.650 
Wed May 08 12:03:21.672 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Wed May 08 12:03:21.688 CEST 2019: Expected impurity: TSP
Wed May 08 12:03:21.703 CEST 2019: Expected impurity: DMSO_D5
Wed May 08 12:03:21.719 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 12:03:21.719 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 12:03:21.735 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.04 s.
Wed May 08 12:03:21.735 CEST 2019: RMSD noise: 621.843 (-0.812/-1.312)
Wed May 08 12:03:21.750 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Wed May 08 12:03:21.767 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Wed May 08 12:03:21.783 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 12:03:21.814 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.03 s.
Wed May 08 12:03:22.111 CEST 2019: Number of Peaks: (56, 13)
Wed May 08 12:03:22.127 CEST 2019: Elapsed time for evaluation (PP Suite): 0.29 s.
Wed May 08 12:03:22.127 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Wed May 08 12:03:22.142 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 12:03:22.142 CEST 2019: Signal-to-Noise ratio: 880.78 (3.836 ppm)
Wed May 08 12:03:22.158 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Wed May 08 12:03:22.173 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 12:03:22.173 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.60 s.
Wed May 08 12:03:22.287 CEST 2019: Number of Multiplets: 122
Wed May 08 12:03:22.320 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.11 s.
Wed May 08 12:03:22.695 CEST 2019: Number of Peak Cluster: 14
Wed May 08 12:03:22.695 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.38 s.
Wed May 08 12:03:22.898 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.19 s.
Wed May 08 12:03:23.398 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.48 s.
Wed May 08 12:03:23.429 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.01 s.
Wed May 08 12:03:23.429 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Wed May 08 12:03:23.460 CEST 2019: Number of consistent PNS: 11
Wed May 08 12:03:23.476 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.03 s.
Wed May 08 12:03:23.492 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.01 s.
Wed May 08 12:03:24.288 CEST 2019: Number of ASL: 114
Wed May 08 12:03:24.304 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 0.80 s.
Wed May 08 12:03:25.270 CEST 2019: Elapsed time for evaluation (IN Suite): 0.97 s.
Wed May 08 12:03:25.319 CEST 2019: CMC-assist project state: AutoConsistent
Wed May 08 12:03:25.319 CEST 2019: Impurity 13C satellite filter active!
Wed May 08 12:03:26.008 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.72 s.
Wed May 08 12:03:26.008 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 12:03:26.024 CEST 2019: CMC-q finished in 5.12 s.
